A0A096MTM7_PAPAN Loading...

Astrocytic phosphoprotein PEA-15

AlphaFold DB (A0A2K5NQU1), UniProt , Accession A0A096MTM7, Species PAPAN (Papio anubis, Olive baboon), Gene PEA15, Length 151 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	46.5	Very low	233 Å²	233	151.1 Å²	151.1	100%	1.148	81%	0.813	S	S	*	*				0	133.8	0	-104.1	152.5	172.2	0	0	105.7
2	E	42.8	Very low	46.6	Very low	185 Å²	185	147.1 Å²	147.1	86%	0.864	80%	0.801	S	S	*	*			trans	77.2	89.5	174.6	-55	169.5	158	0	0	111.9
3	D	46	Very low	46.7	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	79%	0.791	S	S	*	*				64.8	99	61.4	-144.5	-50.4	0	0	0	110.7
4	E	46.3	Very low	46.8	Very low	190 Å²	190	149.1 Å²	149.1	89%	0.888	79%	0.794	S	S	*	*				-163.5	107	127.9	-111.9	-176.1	107.7	0	0	108.5	N6	E4-N6 PolarHBondContact O-N 2.72Å
5	G	47	Very low	46.9	Very low	64 Å²	64	145.9 Å²	145.9	66%	0.66	79%	0.788	S	S	*	*			trans	-57.2	125.1	171.5	0	0	0	0	0	110	K7	G5-K7 PolarHBondContact O-N 3.3Å
6	N	48.8	Very low	47	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	78%	0.781	S	S	*	*			trans	-62.9	80	164.9	-169.1	29.9	0	0	0	108.7	E4 L8	E4-N6 PolarHBondContact O-N 2.72Å; N6-L8 PolarHBondContact O-N 2.76Å
7	K	52.1	Low	46.9	Very low	189 Å²	189	143.4 Å²	143.4	82%	0.822	79%	0.785	S	S	*	*			trans	-77.7	83.2	173.7	-157.3	175.9	-170.1	-175.9	0	106	G5 C9	G5-K7 PolarHBondContact O-N 3.3Å; K7-C9 VanDerWaalsContact C-N 3.33Å; K7-C9 PolarHBondContact O-N 2.97Å
8	L	41	Very low	47.2	Very low	128 Å²	128	141.3 Å²	141.3	67%	0.67	78%	0.778	S	S	*	*			trans	-53.8	103.2	163.8	-168.8	73.6	0	0	0	106.4	N6 Q10	N6-L8 PolarHBondContact O-N 2.76Å; L8-Q10 HydrophobicContact CD2-CG 4.41Å; L8-Q10 PolarHBondContact O-N 2.89Å
9	C	48.3	Very low	48.1	Very low	117 Å²	117	136.8 Å²	136.8	79%	0.791	76%	0.758	S	S	*	*			trans	-63.6	86.1	170.4	-61.1	0	0	0	0	107.1	K7 A11	K7-C9 VanDerWaalsContact C-N 3.33Å; K7-C9 PolarHBondContact O-N 2.97Å; C9-A11 VanDerWaalsContact C-N 3.34Å; C9-A11 PolarHBondContact O-N 3.02Å
10	Q	44.3	Very low	49.4	Very low	168 Å²	168	134.6 Å²	134.6	79%	0.785	75%	0.749	S	S	*	*			trans	-63.7	103.6	160.8	-71.2	-177.4	22.5	0	0	105.9	L8	L8-Q10 HydrophobicContact CD2-CG 4.41Å; L8-Q10 PolarHBondContact O-N 2.89Å
11	A	50.4	Low	50.5	Low	84 Å²	84	129.7 Å²	129.7	69%	0.694	72%	0.723	S	S	*	*			trans	-59.2	137.2	162.1	0	0	0	0	0	108	C9	C9-A11 VanDerWaalsContact C-N 3.34Å; C9-A11 PolarHBondContact O-N 3.02Å
12	P	47.3	Very low	52.2	Low	103 Å²	103	122.8 Å²	122.8	67%	0.669	69%	0.689	S	S	*	*			trans	-64.8	145.1	179.5	25.8	-31.7	0	0	0	110.4	W14	P12-W14 PolarHBondContact O-N 3.02Å
13	P	48.1	Very low	54.2	Low	102 Å²	102	116.3 Å²	116.3	66%	0.662	67%	0.667	S	S	*	*	S	Bend	trans	-75.1	10.9	-172.4	25.6	-28.2	0	0	0	115.4
14	W	48.5	Very low	56.1	Low	220 Å²	220	113.3 Å²	113.3	83%	0.833	65%	0.648	S	S	*	*			trans	-141.2	62.1	-175.5	-50.9	-62.7	0	0	0	112.5	P12 G16	P12-W14 PolarHBondContact O-N 3.02Å; W14-G16 PolarHBondContact O-N 3.03Å
15	S	48.8	Very low	58.2	Low	101 Å²	101	104.9 Å²	104.9	71%	0.706	61%	0.609	S	S	*	*			trans	-69.6	93.1	146.1	53.9	0	0	0	0	106	Q17	S15-Q17 PolarHBondContact O-N 3.41Å
16	G	48	Very low	60.3	Low	65 Å²	65	103.6 Å²	103.6	67%	0.67	60%	0.595	S	S	*	*			trans	-50.8	105.7	178	0	0	0	0	0	109.5	W14 T18	W14-G16 PolarHBondContact O-N 3.03Å; G16-T18 PolarHBondContact O-N 3.21Å
17	Q	44.9	Very low	62.3	Low	185 Å²	185	99.6 Å²	99.6	86%	0.864	58%	0.576	S	S	*	*			trans	-69	84.2	164.9	-78.3	171.5	7.9	0	0	105.9	S15 S19	S15-Q17 PolarHBondContact O-N 3.41Å; Q17-S19 PolarHBondContact O-N 3.04Å
18	T	53.2	Low	64.3	Low	105 Å²	105	91.1 Å²	91.1	64%	0.644	54%	0.54	S	S	*	.			trans	-60.1	110.5	155.2	47.4	0	0	0	0	104.7	G16	G16-T18 PolarHBondContact O-N 3.21Å
19	S	64.3	Low	66.8	Low	57 Å²	57	86 Å²	86	40%	0.399	51%	0.513	S	S	.	.			trans	-45.6	136.3	172.2	171.9	0	0	0	0	108.3	Q17 V21 M22 A23	Q17-S19 PolarHBondContact O-N 3.04Å; S19-V21 PolarHBondContact O-N 3.06Å; S19-M22 WeakPolarHBondContact O-CB 3.05Å; S19-M22 PolarHBondContact O-N 3.06Å; S19-A23 PolarHBondContact O-N 2.88Å
20	P	72.9	Confident	68.9	Low	91 Å²	91	86.1 Å²	86.1	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-46.6	-37.5	179.4	-27.9	33.6	0	0	0	112.4	M22 A23 E24	P20-M22 VanDerWaalsContact C-N 3.34Å; P20-M22 PolarHBondContact O-N 2.93Å; P20-A23 PolarHBondContact O-N 3.43Å; P20-A23 VanDerWaalsContact O-N 3.14Å; P20-E24 WeakPolarHBondContact O-CG 3.2Å; P20-E24 PolarHBondContact O-N 3.48Å
21	V	73.8	Confident	71.3	Confident	32 Å²	32	81.6 Å²	81.6	19%	0.194	48%	0.483	C	S	.	.	H	α-helix	trans	-57.2	-40.6	176.1	-174.1	0	0	0	0	113.1	S19 Y25 Y103 V107	S19-V21 PolarHBondContact O-N 3.06Å; V21-Y25 VanDerWaalsContact O-CB 3.3Å; V21-Y25 WeakPolarHBondContact O-CB 3.48Å; V21-Y25 PolarHBondContact O-N 2.77Å; V21-Y103 PolarHBondContact O-OH 3.23Å; V21-V107 HydrophobicContact CG1-CG1 4.21Å
22	M	79.9	Confident	73.4	Confident	88 Å²	88	77.6 Å²	77.6	43%	0.433	45%	0.45	S	S	.	.	H	α-helix	trans	-70.2	-35	178.9	-67.8	-63.6	-160.1	0	0	112.2	S19 P20 G26 K78	S19-M22 WeakPolarHBondContact O-CB 3.05Å; S19-M22 PolarHBondContact O-N 3.06Å; P20-M22 VanDerWaalsContact C-N 3.34Å; P20-M22 PolarHBondContact O-N 2.93Å; M22-G26 PolarHBondContact O-N 3.43Å; M22-G26 VanDerWaalsContact O-N 3.15Å; M22-K78 HydrophobicContact CE-CD 3.52Å; M22-K78 HydrophobicContact SD-CD 3.49Å; M22-K78 WeakPolarHBondContact SD-CD 3.29Å
23	A	84.8	Confident	75.6	Confident	50 Å²	50	74.4 Å²	74.4	41%	0.413	43%	0.429	S	S	.	.	H	α-helix	trans	-70.1	-45.1	176.8	0	0	0	0	0	110.6	S19 P20 Y25 G26 T27	S19-A23 PolarHBondContact O-N 2.88Å; P20-A23 PolarHBondContact O-N 3.43Å; P20-A23 VanDerWaalsContact O-N 3.14Å; A23-Y25 PolarHBondContact O-N 2.83Å; A23-G26 PolarHBondContact O-N 3.15Å; A23-T27 PolarHBondContact O-N 2.82Å; A23-T27 PolarHBondContact O-OG1 3.4Å
24	E	86.4	Confident	77.8	Confident	86 Å²	86	74.8 Å²	74.8	40%	0.402	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-39.3	178.9	-67.5	-179.2	-149.2	0	0	112	P20 T27 L28 Y103 V107	P20-E24 WeakPolarHBondContact O-CG 3.2Å; P20-E24 PolarHBondContact O-N 3.48Å; E24-T27 PolarHBondContact O-N 2.86Å; E24-L28 PolarHBondContact O-N 3.27Å; E24-Y103 VanDerWaalsContact C-CE2 3.48Å; E24-Y103 HydrophobicContact CB-CE2 3.81Å; E24-V107 HydrophobicContact CB-CG1 4.24Å; E24-V107 HydrophobicContact CB-CG2 4.2Å; E24-V107 WeakPolarHBondContact OE2-CG1 3.27Å; E24-V107 WeakPolarHBondContact OE2-CG2 3.47Å
25	Y	90.2	Very high	79.9	Confident	14 Å²	14	67.8 Å²	67.8	6%	0.055	40%	0.404	C	S	.	.	H	α-helix	trans	-60.3	-45.7	172.9	175.1	-108.4	0	0	0	111.7	V21 A23 T27 L28 L29 E71 L76 K78 L81 Y103	V21-Y25 VanDerWaalsContact O-CB 3.3Å; V21-Y25 WeakPolarHBondContact O-CB 3.48Å; V21-Y25 PolarHBondContact O-N 2.77Å; A23-Y25 PolarHBondContact O-N 2.83Å; Y25-T27 VanDerWaalsContact C-N 3.32Å; Y25-T27 PolarHBondContact O-N 3.11Å; Y25-L28 WeakPolarHBondContact O-CB 3.28Å; Y25-L28 PolarHBondContact O-N 2.99Å; Y25-L29 HydrophobicContact CD1-CD1 4.36Å; Y25-L29 HydrophobicContact CE1-CD1 3.63Å; Y25-L29 HydrophobicContact CE1-CG 4.22Å; Y25-L29 HydrophobicContact CE2-CD1 4.32Å; Y25-L29 HydrophobicContact CE2-CD2 4.11Å; Y25-L29 HydrophobicContact CE2-CG 4.18Å; Y25-L29 PolarHBondContact O-N 2.98Å; Y25-E71 WeakPolarHBondContact CE1-OE1 3.09Å; Y25-E71 PolarHBondContact OH-OE1 3.33Å; Y25-L76 WeakPolarHBondContact OH-CG 3.33Å; Y25-K78 HydrophobicContact CD1-CB 4.21Å; Y25-K78 HydrophobicContact CD2-CB 3.98Å; Y25-K78 HydrophobicContact CE2-CB 4.38Å; Y25-K78 HydrophobicContact CG-CB 3.86Å; Y25-L81 HydrophobicContact CD2-CD2 4.42Å; Y25-L81 HydrophobicContact CE2-CD2 3.97Å; Y25-Y103 WeakPolarHBondContact CB-OH 3.3Å
26	G	90.6	Very high	82	Confident	36 Å²	36	64 Å²	64	37%	0.371	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-41.1	175.6	0	0	0	0	0	112.6	M22 A23 L29 Q30	M22-G26 PolarHBondContact O-N 3.43Å; M22-G26 VanDerWaalsContact O-N 3.15Å; A23-G26 PolarHBondContact O-N 3.15Å; G26-L29 PolarHBondContact O-N 3.26Å; G26-Q30 WeakPolarHBondContact O-CB 3.38Å; G26-Q30 PolarHBondContact O-N 3Å
27	T	91.6	Very high	84	Confident	70 Å²	70	64.7 Å²	64.7	43%	0.429	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-42.7	174.3	-58	0	0	0	0	111.9	A23 E24 Y25 L29 Q30 D31	A23-T27 PolarHBondContact O-N 2.82Å; A23-T27 PolarHBondContact O-OG1 3.4Å; E24-T27 PolarHBondContact O-N 2.86Å; Y25-T27 VanDerWaalsContact C-N 3.32Å; Y25-T27 PolarHBondContact O-N 3.11Å; T27-L29 PolarHBondContact O-N 2.81Å; T27-Q30 WeakPolarHBondContact O-CB 3.16Å; T27-Q30 PolarHBondContact O-N 3.42Å; T27-D31 WeakPolarHBondContact O-CB 2.95Å; T27-D31 PolarHBondContact O-N 3.02Å
28	L	92.4	Very high	86.1	Confident	11 Å²	11	61.4 Å²	61.4	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-56.7	-50.5	175	173.5	68.5	0	0	0	111.4	E24 Y25 Q30 D31 L32 L81 M99 Y103	E24-L28 PolarHBondContact O-N 3.27Å; Y25-L28 WeakPolarHBondContact O-CB 3.28Å; Y25-L28 PolarHBondContact O-N 2.99Å; L28-Q30 VanDerWaalsContact C-N 3.26Å; L28-Q30 PolarHBondContact O-N 3.07Å; L28-D31 PolarHBondContact O-N 3.25Å; L28-L32 HydrophobicContact CD1-CD1 4.02Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CD2-CD1 4.45Å; L28-L32 HydrophobicContact CG-CD1 3.88Å; L28-L32 HydrophobicContact CG-CG 4.36Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 2.79Å; L28-L81 HydrophobicContact CD2-CD1 4.31Å; L28-M99 HydrophobicContact CD1-CB 4.31Å; L28-Y103 HydrophobicContact CB-CD2 3.92Å; L28-Y103 HydrophobicContact CB-CE2 4.35Å; L28-Y103 HydrophobicContact CB-CG 4.3Å; L28-Y103 HydrophobicContact CD1-CG 4.41Å; L28-Y103 HydrophobicContact CD2-CD1 3.72Å; L28-Y103 HydrophobicContact CD2-CD2 4.04Å; L28-Y103 HydrophobicContact CD2-CE1 4.29Å; L28-Y103 HydrophobicContact CD2-CG 3.59Å; L28-Y103 HydrophobicContact CG-CD2 4.42Å; L28-Y103 HydrophobicContact CG-CG 4.29Å
29	L	94	Very high	87.9	Confident	21 Å²	21	62.8 Å²	62.8	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-37.2	-179.7	-64.2	-171.5	0	0	0	112	Y25 G26 T27 T33 F67 L76	Y25-L29 HydrophobicContact CD1-CD1 4.36Å; Y25-L29 HydrophobicContact CE1-CD1 3.63Å; Y25-L29 HydrophobicContact CE1-CG 4.22Å; Y25-L29 HydrophobicContact CE2-CD1 4.32Å; Y25-L29 HydrophobicContact CE2-CD2 4.11Å; Y25-L29 HydrophobicContact CE2-CG 4.18Å; Y25-L29 PolarHBondContact O-N 2.98Å; G26-L29 PolarHBondContact O-N 3.26Å; T27-L29 PolarHBondContact O-N 2.81Å; L29-T33 VanDerWaalsContact O-CB 3.31Å; L29-T33 WeakPolarHBondContact O-CB 3.06Å; L29-T33 PolarHBondContact O-N 2.75Å; L29-T33 PolarHBondContact O-OG1 3.33Å; L29-F67 HydrophobicContact CB-CD2 4.44Å; L29-F67 HydrophobicContact CD1-CB 4.27Å; L29-F67 HydrophobicContact CD2-CB 4.32Å; L29-F67 HydrophobicContact CD2-CD1 3.91Å; L29-F67 HydrophobicContact CD2-CD2 4.29Å; L29-F67 HydrophobicContact CD2-CE1 4.26Å; L29-F67 HydrophobicContact CD2-CG 3.93Å; L29-L76 HydrophobicContact CD2-CD2 4.1Å
30	Q	93.6	Very high	89.1	Confident	119 Å²	119	61 Å²	61	56%	0.556	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-47	175.4	-173	175.8	3.9	0	0	111.4	G26 T27 L28 T33 N34	G26-Q30 WeakPolarHBondContact O-CB 3.38Å; G26-Q30 PolarHBondContact O-N 3Å; T27-Q30 WeakPolarHBondContact O-CB 3.16Å; T27-Q30 PolarHBondContact O-N 3.42Å; L28-Q30 VanDerWaalsContact C-N 3.26Å; L28-Q30 PolarHBondContact O-N 3.07Å; Q30-T33 WeakPolarHBondContact O-CB 3.43Å; Q30-T33 PolarHBondContact O-N 3.13Å; Q30-N34 PolarHBondContact O-N 3.06Å; Q30-N34 PolarHBondContact O-ND2 3.13Å
31	D	94	Very high	90	Very high	74 Å²	74	56.9 Å²	56.9	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-42.9	178.8	-74.2	-15.6	0	0	0	111.6	T27 L28 N34 N35	T27-D31 WeakPolarHBondContact O-CB 2.95Å; T27-D31 PolarHBondContact O-N 3.02Å; L28-D31 PolarHBondContact O-N 3.25Å; D31-N34 PolarHBondContact O-N 3.16Å; D31-N35 PolarHBondContact O-N 2.9Å; D31-N35 PolarHBondContact O-ND2 3.36Å
32	L	94	Very high	90.7	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-46.7	172.9	-69.6	170.5	0	0	0	111	L28 N34 N35 I36 F67 I84 F88 L96 M99 V100	L28-L32 HydrophobicContact CD1-CD1 4.02Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CD2-CD1 4.45Å; L28-L32 HydrophobicContact CG-CD1 3.88Å; L28-L32 HydrophobicContact CG-CG 4.36Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 2.79Å; L32-N34 VanDerWaalsContact C-N 3.27Å; L32-N34 PolarHBondContact O-N 3.27Å; L32-N35 CarbonylContact O-C 3.57Å; L32-N35 PolarHBondContact O-N 3.32Å; L32-I36 HydrophobicContact CB-CD1 4.45Å; L32-I36 WeakPolarHBondContact O-CD1 3.41Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.14Å; L32-F67 HydrophobicContact CB-CE2 3.83Å; L32-F67 HydrophobicContact CB-CZ 3.66Å; L32-F67 HydrophobicContact CD1-CE1 4.26Å; L32-F67 HydrophobicContact CD1-CZ 3.82Å; L32-F67 HydrophobicContact CG-CZ 4.38Å; L32-I84 HydrophobicContact CD1-CD1 4.47Å; L32-F88 HydrophobicContact CD1-CE2 4.15Å; L32-F88 HydrophobicContact CD1-CZ 4.38Å; L32-F88 HydrophobicContact CD2-CE2 3.97Å; L32-F88 HydrophobicContact CD2-CZ 4.23Å; L32-L96 HydrophobicContact CD2-CB 4.08Å; L32-L96 HydrophobicContact CD2-CD2 3.94Å; L32-M99 HydrophobicContact CD2-CB 4.01Å; L32-M99 HydrophobicContact CD2-SD 4.2Å; L32-V100 HydrophobicContact CD1-CG2 3.89Å; L32-V100 HydrophobicContact CD2-CG2 4.13Å
33	T	93.9	Very high	91.2	Very high	35 Å²	35	60.8 Å²	60.8	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-39.2	178.6	-60.6	0	0	0	0	111.7	L29 Q30 N35 I36	L29-T33 VanDerWaalsContact O-CB 3.31Å; L29-T33 WeakPolarHBondContact O-CB 3.06Å; L29-T33 PolarHBondContact O-N 2.75Å; L29-T33 PolarHBondContact O-OG1 3.33Å; Q30-T33 WeakPolarHBondContact O-CB 3.43Å; Q30-T33 PolarHBondContact O-N 3.13Å; T33-N35 PolarHBondContact O-N 2.88Å; T33-I36 PolarHBondContact O-N 3.36Å
34	N	93.4	Very high	91.4	Very high	110 Å²	110	58.4 Å²	58.4	59%	0.588	31%	0.309	S	S	*	.	H	α-helix	trans	-67.1	-24.9	177.8	-67.4	-28.8	0	0	0	113.1	Q30 D31 L32	Q30-N34 PolarHBondContact O-N 3.06Å; Q30-N34 PolarHBondContact O-ND2 3.13Å; D31-N34 PolarHBondContact O-N 3.16Å; L32-N34 VanDerWaalsContact C-N 3.27Å; L32-N34 PolarHBondContact O-N 3.27Å
35	N	93	Very high	91.5	Very high	74 Å²	74	56.6 Å²	56.6	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-100.8	0.1	-179.3	-72.6	-84.9	0	0	0	113.5	D31 L32 T33 R93 L96 M99	D31-N35 PolarHBondContact O-N 2.9Å; D31-N35 PolarHBondContact O-ND2 3.36Å; L32-N35 CarbonylContact O-C 3.57Å; L32-N35 PolarHBondContact O-N 3.32Å; T33-N35 PolarHBondContact O-N 2.88Å; N35-R93 PolarHBondContact O-NH2 3Å; N35-L96 HydrophobicContact CB-CD2 3.72Å; N35-M99 HydrophobicContact CB-CE 3.93Å
36	I	92.4	Very high	91.4	Very high	21 Å²	21	60 Å²	60	11%	0.108	33%	0.325	C	S	.	.			trans	-97.2	116.3	175.3	-72	163.9	0	0	0	108.4	L32 T33 D40 L41 L44 F67 F88 L96	L32-I36 HydrophobicContact CB-CD1 4.45Å; L32-I36 WeakPolarHBondContact O-CD1 3.41Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.14Å; T33-I36 PolarHBondContact O-N 3.36Å; I36-D40 HydrophobicContact CG2-CB 4.17Å; I36-L41 HydrophobicContact CG2-CB 4.08Å; I36-L44 HydrophobicContact CD1-CD1 3.94Å; I36-L44 HydrophobicContact CG1-CD1 4.19Å; I36-L44 HydrophobicContact CG2-CD1 4.1Å; I36-F67 HydrophobicContact CD1-CE2 4Å; I36-F67 HydrophobicContact CD1-CZ 3.85Å; I36-F88 HydrophobicContact CD1-CE1 4.45Å; I36-F88 HydrophobicContact CD1-CZ 4.5Å; I36-L96 HydrophobicContact CD1-CD1 4.24Å; I36-L96 HydrophobicContact CG1-CD1 3.61Å; I36-L96 HydrophobicContact CG1-CD2 4.15Å
37	T	91.7	Very high	91.2	Very high	79 Å²	79	59.8 Å²	59.8	49%	0.485	32%	0.32	S	S	.	.			trans	-81.1	170.9	170.1	72.7	0	0	0	0	110.9	E39 D40 L41	T37-E39 VanDerWaalsContact C-N 3.3Å; T37-E39 PolarHBondContact O-N 3.03Å; T37-D40 VanDerWaalsContact CB-OD2 3.31Å; T37-D40 WeakPolarHBondContact CB-OD2 3.43Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.4Å; T37-D40 PolarHBondContact N-OD2 3.34Å; T37-D40 PolarHBondContact O-N 2.97Å; T37-D40 PolarHBondContact OG1-N 3.14Å; T37-D40 PolarHBondContact OG1-OD2 3.5Å; T37-L41 WeakPolarHBondContact O-CB 3.25Å; T37-L41 PolarHBondContact O-N 3.14Å
38	L	88.9	Confident	90.8	Very high	116 Å²	116	56.5 Å²	56.5	61%	0.607	30%	0.299	S	S	*	.	H	α-helix	trans	-63.1	-37.2	175.8	-172.5	67	0	0	0	112.2	L41 E42	L38-L41 HydrophobicContact CD1-CD2 4.38Å; L38-L41 WeakPolarHBondContact O-CB 3.3Å; L38-L41 PolarHBondContact O-N 3.45Å; L38-E42 PolarHBondContact O-N 2.95Å; L38-E42 VanDerWaalsContact O-N 3.08Å
39	E	89.3	Confident	90.2	Very high	134 Å²	134	64 Å²	64	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-64.6	-43.1	176.4	-177.5	178	178.4	0	0	111	T37 L41 E42 Q43	T37-E39 VanDerWaalsContact C-N 3.3Å; T37-E39 PolarHBondContact O-N 3.03Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.36Å; E39-E42 PolarHBondContact O-N 3.15Å; E39-Q43 PolarHBondContact O-N 2.97Å; E39-Q43 VanDerWaalsContact O-N 3.12Å
40	D	90.4	Very high	89.4	Confident	21 Å²	21	72.3 Å²	72.3	11%	0.112	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-41.8	174.7	-58.9	-59.5	0	0	0	111.2	I36 T37 E42 Q43 L44 R93	I36-D40 HydrophobicContact CG2-CB 4.17Å; T37-D40 VanDerWaalsContact CB-OD2 3.31Å; T37-D40 WeakPolarHBondContact CB-OD2 3.43Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.4Å; T37-D40 PolarHBondContact N-OD2 3.34Å; T37-D40 PolarHBondContact O-N 2.97Å; T37-D40 PolarHBondContact OG1-N 3.14Å; T37-D40 PolarHBondContact OG1-OD2 3.5Å; D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.96Å; D40-Q43 CarbonylContact O-C 3.6Å; D40-Q43 WeakPolarHBondContact O-CA 3.35Å; D40-Q43 WeakPolarHBondContact O-CB 3.15Å; D40-Q43 PolarHBondContact O-N 3.25Å; D40-L44 VanDerWaalsContact O-CG 3.23Å; D40-L44 WeakPolarHBondContact O-CG 3.38Å; D40-L44 PolarHBondContact O-N 2.7Å; D40-R93 IonicContact OD1-CZ 3.34Å; D40-R93 IonicContact OD1-NH1 2.77Å; D40-R93 PolarHBondContact OD1-NH1 3.05Å; D40-R93 IonicContact OD2-CZ 3.26Å; D40-R93 IonicContact OD2-NH1 2.71Å; D40-R93 PolarHBondContact OD2-NH1 3.05Å
41	L	90.8	Very high	88.4	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-59.2	-39.5	177.4	-175.5	63.3	0	0	0	111.7	I36 T37 L38 E39 L44 K45 I60 W66	I36-L41 HydrophobicContact CG2-CB 4.08Å; T37-L41 WeakPolarHBondContact O-CB 3.25Å; T37-L41 PolarHBondContact O-N 3.14Å; L38-L41 HydrophobicContact CD1-CD2 4.38Å; L38-L41 WeakPolarHBondContact O-CB 3.3Å; L38-L41 PolarHBondContact O-N 3.45Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.36Å; L41-L44 PolarHBondContact O-N 3.47Å; L41-K45 HydrophobicContact CG-CD 4.09Å; L41-K45 WeakPolarHBondContact O-CB 3.39Å; L41-K45 WeakPolarHBondContact O-CD 3.39Å; L41-K45 WeakPolarHBondContact O-CG 3.46Å; L41-K45 PolarHBondContact O-N 3.2Å; L41-I60 HydrophobicContact CD1-CG2 4.3Å; L41-W66 HydrophobicContact CD1-CB 3.85Å; L41-W66 HydrophobicContact CD1-CG 4.13Å
42	E	88.9	Confident	87.4	Confident	119 Å²	119	67.5 Å²	67.5	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-64.9	-38.4	173.8	-71	-173.9	171.5	0	0	112.6	L38 E39 D40 K45 S46	L38-E42 PolarHBondContact O-N 2.95Å; L38-E42 VanDerWaalsContact O-N 3.08Å; E39-E42 PolarHBondContact O-N 3.15Å; D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.96Å; E42-K45 PolarHBondContact O-N 3.12Å; E42-S46 WeakPolarHBondContact O-CB 3.49Å; E42-S46 PolarHBondContact O-N 3.25Å; E42-S46 PolarHBondContact O-OG 3.47Å
43	Q	90.6	Very high	86.5	Confident	82 Å²	82	70.9 Å²	70.9	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-43.5	173.9	-66.3	-177.9	10	0	0	111.8	E39 D40 S46 A47	E39-Q43 PolarHBondContact O-N 2.97Å; E39-Q43 VanDerWaalsContact O-N 3.12Å; D40-Q43 CarbonylContact O-C 3.6Å; D40-Q43 WeakPolarHBondContact O-CA 3.35Å; D40-Q43 WeakPolarHBondContact O-CB 3.15Å; D40-Q43 PolarHBondContact O-N 3.25Å; Q43-S46 WeakPolarHBondContact O-CB 3.14Å; Q43-S46 PolarHBondContact O-N 2.91Å; Q43-A47 WeakPolarHBondContact O-CB 3.31Å; Q43-A47 PolarHBondContact O-N 3.03Å
44	L	90.2	Very high	85.3	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-42.9	176.4	-64.3	170.5	0	0	0	110.9	I36 D40 L41 S46 A47 C48 W66 I87 F88	I36-L44 HydrophobicContact CD1-CD1 3.94Å; I36-L44 HydrophobicContact CG1-CD1 4.19Å; I36-L44 HydrophobicContact CG2-CD1 4.1Å; D40-L44 VanDerWaalsContact O-CG 3.23Å; D40-L44 WeakPolarHBondContact O-CG 3.38Å; D40-L44 PolarHBondContact O-N 2.7Å; L41-L44 PolarHBondContact O-N 3.47Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 3.34Å; L44-A47 WeakPolarHBondContact O-CB 3.23Å; L44-A47 PolarHBondContact O-N 3.29Å; L44-C48 PolarHBondContact O-N 3.27Å; L44-C48 PolarHBondContact O-SG 2.85Å; L44-W66 HydrophobicContact CB-CH2 4.26Å; L44-W66 HydrophobicContact CB-CZ2 4.01Å; L44-W66 HydrophobicContact CD1-CE3 4.23Å; L44-W66 HydrophobicContact CD1-CH2 4.18Å; L44-W66 HydrophobicContact CD1-CZ3 3.93Å; L44-W66 HydrophobicContact CD2-CH2 4.09Å; L44-W66 HydrophobicContact CG-CH2 4.4Å; L44-I87 HydrophobicContact CB-CG2 4.44Å; L44-I87 HydrophobicContact CD2-CG2 3.54Å; L44-F88 HydrophobicContact CD1-CE1 4.1Å; L44-F88 HydrophobicContact CD2-CD1 3.6Å; L44-F88 HydrophobicContact CD2-CE1 3.66Å
45	K	88.4	Confident	84.4	Confident	48 Å²	48	75 Å²	75	21%	0.209	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-41	174.2	-74.2	167.6	63.9	167.4	0	111.8	L41 E42 C48 K49 S57 I60	L41-K45 HydrophobicContact CG-CD 4.09Å; L41-K45 WeakPolarHBondContact O-CB 3.39Å; L41-K45 WeakPolarHBondContact O-CD 3.39Å; L41-K45 WeakPolarHBondContact O-CG 3.46Å; L41-K45 PolarHBondContact O-N 3.2Å; E42-K45 PolarHBondContact O-N 3.12Å; K45-C48 CarbonylContact O-C 3.59Å; K45-C48 PolarHBondContact O-N 2.95Å; K45-K49 PolarHBondContact O-N 3.37Å; K45-S57 WeakPolarHBondContact CE-O 3.23Å; K45-S57 PolarHBondContact NZ-O 3.1Å; K45-I60 HydrophobicContact CD-CG2 4.41Å; K45-I60 PolarHBondContact NZ-O 3.43Å
46	S	87.1	Confident	83.5	Confident	85 Å²	85	74.9 Å²	74.9	59%	0.594	39%	0.388	S	S	*	.	H	α-helix	trans	-66	-40	177.4	-61.2	0	0	0	0	112	E42 Q43 L44 C48 K49	E42-S46 WeakPolarHBondContact O-CB 3.49Å; E42-S46 PolarHBondContact O-N 3.25Å; E42-S46 PolarHBondContact O-OG 3.47Å; Q43-S46 WeakPolarHBondContact O-CB 3.14Å; Q43-S46 PolarHBondContact O-N 2.91Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 3.34Å; S46-C48 PolarHBondContact O-N 3.3Å; S46-K49 VanDerWaalsContact O-CB 3.24Å; S46-K49 WeakPolarHBondContact O-CB 3.3Å; S46-K49 PolarHBondContact O-N 2.82Å
47	A	86.9	Confident	82.6	Confident	32 Å²	32	75.1 Å²	75.1	26%	0.264	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-30.2	174.2	0	0	0	0	0	112.4	Q43 L44 I87 I90	Q43-A47 WeakPolarHBondContact O-CB 3.31Å; Q43-A47 PolarHBondContact O-N 3.03Å; L44-A47 WeakPolarHBondContact O-CB 3.23Å; L44-A47 PolarHBondContact O-N 3.29Å; A47-I87 HydrophobicContact CB-CD1 4.35Å; A47-I87 HydrophobicContact CB-CG2 4.12Å; A47-I90 HydrophobicContact CB-CD1 3.72Å; A47-I90 HydrophobicContact CB-CG1 4.01Å
48	C	83.9	Confident	81.8	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7	177.5	-59	0	0	0	0	114.3	L44 K45 S46 E50 D51 I52 I87	L44-C48 PolarHBondContact O-N 3.27Å; L44-C48 PolarHBondContact O-SG 2.85Å; K45-C48 CarbonylContact O-C 3.59Å; K45-C48 PolarHBondContact O-N 2.95Å; S46-C48 PolarHBondContact O-N 3.3Å; C48-E50 PolarHBondContact O-N 2.94Å; C48-D51 PolarHBondContact O-N 3.27Å; C48-I52 HydrophobicContact CB-CB 4.38Å; C48-I52 HydrophobicContact CB-CD1 3.4Å; C48-I52 HydrophobicContact CB-CG1 3.71Å; C48-I52 WeakPolarHBondContact O-CB 3.45Å; C48-I52 PolarHBondContact O-N 3.3Å; C48-I87 VanDerWaalsContact SG-CD1 3.57Å
49	K	79.6	Confident	81.5	Confident	170 Å²	170	78.2 Å²	78.2	74%	0.739	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.2	-170.5	-179.6	177.5	177.3	-179.3	0	114.5	K45 S46	K45-K49 PolarHBondContact O-N 3.37Å; S46-K49 VanDerWaalsContact O-CB 3.24Å; S46-K49 WeakPolarHBondContact O-CB 3.3Å; S46-K49 PolarHBondContact O-N 2.82Å
50	E	76.7	Confident	81.4	Confident	195 Å²	195	72.1 Å²	72.1	91%	0.911	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-26.2	178.3	-61.7	-170.2	174.5	0	0	112.4	C48	C48-E50 PolarHBondContact O-N 2.94Å
51	D	72.9	Confident	81.2	Confident	80 Å²	80	75.7 Å²	75.7	43%	0.428	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-26	-177.7	-78.4	-67.7	0	0	0	113.4	C48 K75 Y83	C48-D51 PolarHBondContact O-N 3.27Å; D51-K75 IonicContact OD1-NZ 2.75Å; D51-K75 PolarHBondContact OD1-NZ 3.23Å; D51-Y83 VanDerWaalsContact CB-OH 3.3Å; D51-Y83 WeakPolarHBondContact CB-OH 3.46Å; D51-Y83 PolarHBondContact OD2-OH 2.75Å
52	I	71.6	Confident	81.2	Confident	12 Å²	12	78.9 Å²	78.9	6%	0.062	41%	0.412	C	S	.	.	S	Bend	trans	-111.4	119.6	-175.6	-57.7	-173.9	0	0	0	109.7	C48 S54 K56 F69 L70	C48-I52 HydrophobicContact CB-CB 4.38Å; C48-I52 HydrophobicContact CB-CD1 3.4Å; C48-I52 HydrophobicContact CB-CG1 3.71Å; C48-I52 WeakPolarHBondContact O-CB 3.45Å; C48-I52 PolarHBondContact O-N 3.3Å; I52-S54 PolarHBondContact O-N 2.94Å; I52-K56 HydrophobicContact CG2-CB 4.27Å; I52-F69 HydrophobicContact CB-CE1 4.12Å; I52-F69 HydrophobicContact CD1-CD1 3.8Å; I52-F69 HydrophobicContact CD1-CE1 3.64Å; I52-F69 HydrophobicContact CG1-CD1 4.32Å; I52-F69 HydrophobicContact CG1-CE1 3.64Å; I52-F69 HydrophobicContact CG1-CZ 4.48Å; I52-F69 HydrophobicContact CG2-CD1 4.33Å; I52-F69 HydrophobicContact CG2-CE1 3.55Å; I52-F69 HydrophobicContact CG2-CZ 3.68Å; I52-L70 HydrophobicContact CD1-CD2 4.11Å
53	P	75.8	Confident	81.2	Confident	71 Å²	71	73.6 Å²	73.6	46%	0.461	39%	0.389	S	S	.	.			trans	-56.8	138.2	174.8	-21.8	31.4	0	0	0	111.8	E55 K56 S57	P53-E55 PolarHBondContact O-N 3.32Å; P53-E55 VanDerWaalsContact O-N 3.11Å; P53-K56 PolarHBondContact O-N 2.76Å; P53-S57 PolarHBondContact O-N 3.26Å; P53-S57 VanDerWaalsContact O-N 3.14Å
54	S	69	Low	81.2	Confident	83 Å²	83	72.8 Å²	72.8	58%	0.58	39%	0.393	S	S	*	.	H	α-helix	trans	-51.7	-39.6	-177	-167.4	0	0	0	0	113.2	I52 K56 S57 E58	I52-S54 PolarHBondContact O-N 2.94Å; S54-K56 VanDerWaalsContact C-N 3.27Å; S54-K56 PolarHBondContact O-N 3.01Å; S54-S57 WeakPolarHBondContact O-CB 3.06Å; S54-S57 PolarHBondContact O-N 3.2Å; S54-S57 VanDerWaalsContact O-N 3.11Å; S54-S57 PolarHBondContact O-OG 2.89Å; S54-E58 PolarHBondContact O-N 3.05Å
55	E	74	Confident	81.2	Confident	149 Å²	149	74.3 Å²	74.3	70%	0.696	41%	0.405	S	S	*	.	H	α-helix	trans	-57.7	-38.2	178.4	-172.6	172.1	-147.6	0	0	112.6	P53	P53-E55 PolarHBondContact O-N 3.32Å; P53-E55 VanDerWaalsContact O-N 3.11Å
56	K	73.4	Confident	81.4	Confident	70 Å²	70	72 Å²	72	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-82.2	-26	177.8	-66.6	-57.1	-175.6	-166.7	0	113.5	I52 P53 S54 E58 E59 I60 F69	I52-K56 HydrophobicContact CG2-CB 4.27Å; P53-K56 PolarHBondContact O-N 2.76Å; S54-K56 VanDerWaalsContact C-N 3.27Å; S54-K56 PolarHBondContact O-N 3.01Å; K56-E58 VanDerWaalsContact C-N 3.28Å; K56-E58 PolarHBondContact O-N 3.41Å; K56-E59 WeakPolarHBondContact CD-OE2 3.31Å; K56-E59 IonicContact NZ-OE1 2.85Å; K56-E59 PolarHBondContact NZ-OE1 3.13Å; K56-E59 IonicContact NZ-OE2 2.82Å; K56-E59 PolarHBondContact NZ-OE2 2.86Å; K56-E59 PolarHBondContact O-N 3.29Å; K56-I60 WeakPolarHBondContact O-CD1 3.38Å; K56-I60 WeakPolarHBondContact O-CG1 2.86Å; K56-F69 HydrophobicContact CB-CD2 4.14Å; K56-F69 HydrophobicContact CB-CE2 3.33Å; K56-F69 HydrophobicContact CB-CZ 3.75Å; K56-F69 HydrophobicContact CD-CE2 4.15Å; K56-F69 HydrophobicContact CG-CE2 3.63Å; K56-F69 HydrophobicContact CG-CZ 4.21Å
57	S	74.4	Confident	81.6	Confident	27 Å²	27	68 Å²	68	19%	0.189	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-34.8	173	81.5	0	0	0	0	111.9	K45 P53 S54 I60	K45-S57 WeakPolarHBondContact CE-O 3.23Å; K45-S57 PolarHBondContact NZ-O 3.1Å; P53-S57 PolarHBondContact O-N 3.26Å; P53-S57 VanDerWaalsContact O-N 3.14Å; S54-S57 WeakPolarHBondContact O-CB 3.06Å; S54-S57 PolarHBondContact O-N 3.2Å; S54-S57 VanDerWaalsContact O-N 3.11Å; S54-S57 PolarHBondContact O-OG 2.89Å; S57-I60 PolarHBondContact O-N 3.36Å
58	E	75.9	Confident	81.8	Confident	144 Å²	144	69.4 Å²	69.4	67%	0.673	38%	0.375	S	S	*	.	H	α-helix	trans	-70.8	-31.8	-179.3	-70.1	177.9	-160.5	0	0	112.9	S54 K56 I60	S54-E58 PolarHBondContact O-N 3.05Å; K56-E58 VanDerWaalsContact C-N 3.28Å; K56-E58 PolarHBondContact O-N 3.41Å; E58-I60 VanDerWaalsContact C-N 3.26Å; E58-I60 PolarHBondContact O-N 3.23Å
59	E	82	Confident	82.1	Confident	115 Å²	115	70.4 Å²	70.4	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-68.9	-24.5	176	-66	174.3	-164.9	0	0	112.4	K56 T61	K56-E59 WeakPolarHBondContact CD-OE2 3.31Å; K56-E59 IonicContact NZ-OE1 2.85Å; K56-E59 PolarHBondContact NZ-OE1 3.13Å; K56-E59 IonicContact NZ-OE2 2.82Å; K56-E59 PolarHBondContact NZ-OE2 2.86Å; K56-E59 PolarHBondContact O-N 3.29Å; E59-T61 PolarHBondContact O-N 3.04Å
60	I	85.8	Confident	82.6	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.031	34%	0.344	C	S	.	.			trans	-84.3	102.8	-176.2	-62.3	164.8	0	0	0	110.2	L41 K45 K56 S57 E58 A65 W66 F69	L41-I60 HydrophobicContact CD1-CG2 4.3Å; K45-I60 HydrophobicContact CD-CG2 4.41Å; K45-I60 PolarHBondContact NZ-O 3.43Å; K56-I60 WeakPolarHBondContact O-CD1 3.38Å; K56-I60 WeakPolarHBondContact O-CG1 2.86Å; S57-I60 PolarHBondContact O-N 3.36Å; E58-I60 VanDerWaalsContact C-N 3.26Å; E58-I60 PolarHBondContact O-N 3.23Å; I60-A65 HydrophobicContact CG2-CB 4.44Å; I60-W66 HydrophobicContact CG2-CB 3.57Å; I60-W66 HydrophobicContact CG2-CG 4.29Å; I60-F69 HydrophobicContact CD1-CB 3.73Å; I60-F69 HydrophobicContact CD1-CD1 4Å; I60-F69 HydrophobicContact CD1-CD2 4.13Å; I60-F69 HydrophobicContact CD1-CG 3.64Å; I60-F69 HydrophobicContact CG1-CB 4.29Å
61	T	87.1	Confident	83.2	Confident	97 Å²	97	56.2 Å²	56.2	60%	0.595	32%	0.315	S	S	*	.			trans	-110.5	-9.1	179.4	55.2	0	0	0	0	113.9	E59	E59-T61 PolarHBondContact O-N 3.04Å
62	T	90	Very high	84	Confident	71 Å²	71	56.3 Å²	56.3	44%	0.436	32%	0.323	S	S	.	.	S	Bend	trans	-136.3	155.1	-179.3	63.8	0	0	0	0	111	S64 A65 W66	T62-S64 VanDerWaalsContact C-N 3.28Å; T62-S64 PolarHBondContact O-N 3.45Å; T62-A65 PolarHBondContact O-N 2.9Å; T62-A65 VanDerWaalsContact OG1-CB 3.3Å; T62-A65 WeakPolarHBondContact OG1-CB 3.28Å; T62-A65 PolarHBondContact OG1-N 3.31Å; T62-A65 VanDerWaalsContact OG1-N 3.15Å; T62-W66 PolarHBondContact O-N 2.76Å
63	G	89.8	Confident	84.8	Confident	7 Å²	7	60 Å²	60	7%	0.072	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-38.3	174.9	0	0	0	0	0	112.6	A65 W66 F67	G63-A65 PolarHBondContact O-N 3.49Å; G63-W66 WeakPolarHBondContact O-CB 3.43Å; G63-W66 PolarHBondContact O-N 2.85Å; G63-W66 VanDerWaalsContact O-N 3.15Å; G63-F67 WeakPolarHBondContact O-CD2 3.44Å; G63-F67 PolarHBondContact O-N 3.14Å
64	S	91.1	Very high	85.3	Confident	66 Å²	66	63.4 Å²	63.4	46%	0.462	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-44	174.2	173.9	0	0	0	0	112.1	T62 W66 F67 S68	T62-S64 VanDerWaalsContact C-N 3.28Å; T62-S64 PolarHBondContact O-N 3.45Å; S64-W66 PolarHBondContact O-N 2.96Å; S64-F67 PolarHBondContact O-N 3.15Å; S64-S68 PolarHBondContact O-N 3Å; S64-S68 PolarHBondContact O-OG 3.15Å
65	A	90.6	Very high	86.2	Confident	32 Å²	32	62.7 Å²	62.7	26%	0.264	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-34.5	174.9	0	0	0	0	0	112	I60 T62 G63 F69	I60-A65 HydrophobicContact CG2-CB 4.44Å; T62-A65 PolarHBondContact O-N 2.9Å; T62-A65 VanDerWaalsContact OG1-CB 3.3Å; T62-A65 WeakPolarHBondContact OG1-CB 3.28Å; T62-A65 PolarHBondContact OG1-N 3.31Å; T62-A65 VanDerWaalsContact OG1-N 3.15Å; G63-A65 PolarHBondContact O-N 3.49Å; A65-F69 VanDerWaalsContact O-CB 3.29Å; A65-F69 WeakPolarHBondContact O-CB 3.36Å; A65-F69 PolarHBondContact O-N 3.01Å
66	W	91	Very high	87.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-46.8	175.1	-176.3	62.5	0	0	0	111.9	L41 L44 I60 T62 G63 S64 F69 L70 I84 I87 F88	L41-W66 HydrophobicContact CD1-CB 3.85Å; L41-W66 HydrophobicContact CD1-CG 4.13Å; L44-W66 HydrophobicContact CB-CH2 4.26Å; L44-W66 HydrophobicContact CB-CZ2 4.01Å; L44-W66 HydrophobicContact CD1-CE3 4.23Å; L44-W66 HydrophobicContact CD1-CH2 4.18Å; L44-W66 HydrophobicContact CD1-CZ3 3.93Å; L44-W66 HydrophobicContact CD2-CH2 4.09Å; L44-W66 HydrophobicContact CG-CH2 4.4Å; I60-W66 HydrophobicContact CG2-CB 3.57Å; I60-W66 HydrophobicContact CG2-CG 4.29Å; T62-W66 PolarHBondContact O-N 2.76Å; G63-W66 WeakPolarHBondContact O-CB 3.43Å; G63-W66 PolarHBondContact O-N 2.85Å; G63-W66 VanDerWaalsContact O-N 3.15Å; S64-W66 PolarHBondContact O-N 2.96Å; W66-F69 WeakPolarHBondContact O-CB 3.35Å; W66-F69 PolarHBondContact O-N 3.49Å; W66-L70 HydrophobicContact CD2-CD1 4.12Å; W66-L70 HydrophobicContact CE3-CD1 4.34Å; W66-L70 HydrophobicContact CH2-CD1 4.02Å; W66-L70 HydrophobicContact CZ2-CD1 3.75Å; W66-L70 HydrophobicContact CZ3-CD1 4.31Å; W66-L70 WeakPolarHBondContact O-CG 3.47Å; W66-L70 PolarHBondContact O-N 3.41Å; W66-I84 HydrophobicContact CH2-CG2 4.35Å; W66-I87 HydrophobicContact CH2-CB 4.44Å; W66-I87 HydrophobicContact CH2-CG2 3.97Å; W66-I87 HydrophobicContact CZ2-CG2 3.92Å; W66-F88 HydrophobicContact CH2-CE1 4.1Å; W66-F88 HydrophobicContact CH2-CZ 4.43Å; W66-F88 AromaticContact CZ3-CE1 3.97Å; W66-F88 HydrophobicContact CZ3-CE1 3.97Å; W66-F88 HydrophobicContact CZ3-CZ 4.07Å
67	F	92.3	Very high	87.8	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-45.9	176.3	-67.5	-56.6	0	0	0	112.2	L29 L32 I36 G63 S64 F69 L70 E71 L76 I84 F88	L29-F67 HydrophobicContact CB-CD2 4.44Å; L29-F67 HydrophobicContact CD1-CB 4.27Å; L29-F67 HydrophobicContact CD2-CB 4.32Å; L29-F67 HydrophobicContact CD2-CD1 3.91Å; L29-F67 HydrophobicContact CD2-CD2 4.29Å; L29-F67 HydrophobicContact CD2-CE1 4.26Å; L29-F67 HydrophobicContact CD2-CG 3.93Å; L32-F67 HydrophobicContact CB-CE2 3.83Å; L32-F67 HydrophobicContact CB-CZ 3.66Å; L32-F67 HydrophobicContact CD1-CE1 4.26Å; L32-F67 HydrophobicContact CD1-CZ 3.82Å; L32-F67 HydrophobicContact CG-CZ 4.38Å; I36-F67 HydrophobicContact CD1-CE2 4Å; I36-F67 HydrophobicContact CD1-CZ 3.85Å; G63-F67 WeakPolarHBondContact O-CD2 3.44Å; G63-F67 PolarHBondContact O-N 3.14Å; S64-F67 PolarHBondContact O-N 3.15Å; F67-F69 PolarHBondContact O-N 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.43Å; F67-L70 PolarHBondContact O-N 2.94Å; F67-E71 WeakPolarHBondContact O-CG 3.28Å; F67-E71 PolarHBondContact O-N 3.2Å; F67-L76 HydrophobicContact CB-CD2 4.12Å; F67-L76 HydrophobicContact CD1-CD2 3.61Å; F67-L76 HydrophobicContact CE1-CD2 4.5Å; F67-L76 HydrophobicContact CG-CD2 4.3Å; F67-I84 HydrophobicContact CE1-CG2 4.42Å; F67-F88 HydrophobicContact CE1-CZ 4.28Å; F67-F88 HydrophobicContact CZ-CZ 4.14Å
68	S	90.4	Very high	88.4	Confident	60 Å²	60	57.8 Å²	57.8	42%	0.42	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-35.5	176	-62.9	0	0	0	0	112.6	S64 E71 S72	S64-S68 PolarHBondContact O-N 3Å; S64-S68 PolarHBondContact O-OG 3.15Å; S68-E71 PolarHBondContact O-N 3.15Å; S68-S72 PolarHBondContact O-N 3.4Å; S68-S72 PolarHBondContact O-OG 3.36Å
69	F	89.9	Confident	88.7	Confident	21 Å²	21	55.7 Å²	55.7	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-49.9	171.7	-179.5	-90.2	0	0	0	111.1	I52 K56 I60 A65 W66 F67 E71 S72 H73	I52-F69 HydrophobicContact CB-CE1 4.12Å; I52-F69 HydrophobicContact CD1-CD1 3.8Å; I52-F69 HydrophobicContact CD1-CE1 3.64Å; I52-F69 HydrophobicContact CG1-CD1 4.32Å; I52-F69 HydrophobicContact CG1-CE1 3.64Å; I52-F69 HydrophobicContact CG1-CZ 4.48Å; I52-F69 HydrophobicContact CG2-CD1 4.33Å; I52-F69 HydrophobicContact CG2-CE1 3.55Å; I52-F69 HydrophobicContact CG2-CZ 3.68Å; K56-F69 HydrophobicContact CB-CD2 4.14Å; K56-F69 HydrophobicContact CB-CE2 3.33Å; K56-F69 HydrophobicContact CB-CZ 3.75Å; K56-F69 HydrophobicContact CD-CE2 4.15Å; K56-F69 HydrophobicContact CG-CE2 3.63Å; K56-F69 HydrophobicContact CG-CZ 4.21Å; I60-F69 HydrophobicContact CD1-CB 3.73Å; I60-F69 HydrophobicContact CD1-CD1 4Å; I60-F69 HydrophobicContact CD1-CD2 4.13Å; I60-F69 HydrophobicContact CD1-CG 3.64Å; I60-F69 HydrophobicContact CG1-CB 4.29Å; A65-F69 VanDerWaalsContact O-CB 3.29Å; A65-F69 WeakPolarHBondContact O-CB 3.36Å; A65-F69 PolarHBondContact O-N 3.01Å; W66-F69 WeakPolarHBondContact O-CB 3.35Å; W66-F69 PolarHBondContact O-N 3.49Å; F67-F69 PolarHBondContact O-N 3.28Å; F69-E71 VanDerWaalsContact C-N 3.29Å; F69-E71 PolarHBondContact O-N 3.11Å; F69-S72 PolarHBondContact O-N 3.27Å; F69-S72 PolarHBondContact O-OG 3.46Å; F69-H73 AromaticContact CD2-CD2 3.8Å; F69-H73 AromaticContact CD2-NE2 3.93Å; F69-H73 AromaticContact CE1-CD2 3.64Å; F69-H73 AromaticContact CE1-CG 4Å; F69-H73 AromaticContact CE2-CD2 3.31Å; F69-H73 WeakPolarHBondContact CE2-CD2 3.4Å; F69-H73 AromaticContact CE2-CE1 3.98Å; F69-H73 AromaticContact CE2-NE2 3.06Å; F69-H73 WeakPolarHBondContact CE2-NE2 3.36Å; F69-H73 AromaticContact CZ-CD2 3.23Å; F69-H73 WeakPolarHBondContact CZ-CD2 3.11Å; F69-H73 AromaticContact CZ-CE1 3.68Å; F69-H73 AromaticContact CZ-CG 3.82Å; F69-H73 AromaticContact CZ-NE2 3.16Å; F69-H73 WeakPolarHBondContact CZ-NE2 3.39Å; F69-H73 PolarHBondContact O-CD2 3.11Å; F69-H73 VanDerWaalsContact O-CD2 3.27Å; F69-H73 PolarHBondContact O-N 3.4Å; F69-H73 VanDerWaalsContact O-N 3.14Å
70	L	90.2	Very high	89	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-37.7	178.5	-64.2	177.7	0	0	0	112.9	I52 W66 F67 H73 N74 K75 L76 Y83 I84	I52-L70 HydrophobicContact CD1-CD2 4.11Å; W66-L70 HydrophobicContact CD2-CD1 4.12Å; W66-L70 HydrophobicContact CE3-CD1 4.34Å; W66-L70 HydrophobicContact CH2-CD1 4.02Å; W66-L70 HydrophobicContact CZ2-CD1 3.75Å; W66-L70 HydrophobicContact CZ3-CD1 4.31Å; W66-L70 WeakPolarHBondContact O-CG 3.47Å; W66-L70 PolarHBondContact O-N 3.41Å; F67-L70 WeakPolarHBondContact O-CB 3.43Å; F67-L70 PolarHBondContact O-N 2.94Å; L70-H73 CarbonylContact O-C 3.54Å; L70-H73 PolarHBondContact O-N 2.82Å; L70-N74 PolarHBondContact O-N 3.05Å; L70-K75 HydrophobicContact CB-CB 4.27Å; L70-K75 HydrophobicContact CD2-CB 3.98Å; L70-K75 PolarHBondContact O-N 3.17Å; L70-L76 HydrophobicContact CB-CB 3.55Å; L70-L76 HydrophobicContact CB-CD2 4.17Å; L70-L76 HydrophobicContact CD1-CD2 4.41Å; L70-L76 PolarHBondContact O-N 2.66Å; L70-Y83 HydrophobicContact CD1-CD1 4.35Å; L70-Y83 HydrophobicContact CD1-CE1 4.36Å; L70-Y83 HydrophobicContact CD2-CD1 4.09Å; L70-Y83 HydrophobicContact CD2-CE1 3.57Å; L70-I84 HydrophobicContact CD1-CG2 3.56Å
71	E	90.7	Very high	89.2	Confident	67 Å²	67	53.3 Å²	53.3	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-49.9	175.3	-70.2	176	142.4	0	0	111.4	Y25 F67 S68 F69 H73 N74 L76	Y25-E71 WeakPolarHBondContact CE1-OE1 3.09Å; Y25-E71 PolarHBondContact OH-OE1 3.33Å; F67-E71 WeakPolarHBondContact O-CG 3.28Å; F67-E71 PolarHBondContact O-N 3.2Å; S68-E71 PolarHBondContact O-N 3.15Å; F69-E71 VanDerWaalsContact C-N 3.29Å; F69-E71 PolarHBondContact O-N 3.11Å; E71-H73 PolarHBondContact O-N 3.16Å; E71-H73 VanDerWaalsContact O-N 3.13Å; E71-N74 PolarHBondContact O-N 2.97Å; E71-L76 WeakPolarHBondContact CA-O 3.34Å; E71-L76 HydrophobicContact CG-CB 4.38Å; E71-L76 HydrophobicContact CG-CD2 4.23Å; E71-L76 HydrophobicContact CG-CG 4.29Å
72	S	89	Confident	89.4	Confident	83 Å²	83	52.2 Å²	52.2	58%	0.58	30%	0.298	S	S	*	.	H	α-helix	trans	-61.7	-22.5	177.9	65.4	0	0	0	0	114.1	S68 F69	S68-S72 PolarHBondContact O-N 3.4Å; S68-S72 PolarHBondContact O-OG 3.36Å; F69-S72 PolarHBondContact O-N 3.27Å; F69-S72 PolarHBondContact O-OG 3.46Å
73	H	87.6	Confident	89.4	Confident	89 Å²	89	50.2 Å²	50.2	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	8.6	178.7	-78.8	-94.7	0	0	0	113.8	F69 L70 E71 K75	F69-H73 AromaticContact CD2-CD2 3.8Å; F69-H73 AromaticContact CD2-NE2 3.93Å; F69-H73 AromaticContact CE1-CD2 3.64Å; F69-H73 AromaticContact CE1-CG 4Å; F69-H73 AromaticContact CE2-CD2 3.31Å; F69-H73 WeakPolarHBondContact CE2-CD2 3.4Å; F69-H73 AromaticContact CE2-CE1 3.98Å; F69-H73 AromaticContact CE2-NE2 3.06Å; F69-H73 WeakPolarHBondContact CE2-NE2 3.36Å; F69-H73 AromaticContact CZ-CD2 3.23Å; F69-H73 WeakPolarHBondContact CZ-CD2 3.11Å; F69-H73 AromaticContact CZ-CE1 3.68Å; F69-H73 AromaticContact CZ-CG 3.82Å; F69-H73 AromaticContact CZ-NE2 3.16Å; F69-H73 WeakPolarHBondContact CZ-NE2 3.39Å; F69-H73 PolarHBondContact O-CD2 3.11Å; F69-H73 VanDerWaalsContact O-CD2 3.27Å; F69-H73 PolarHBondContact O-N 3.4Å; F69-H73 VanDerWaalsContact O-N 3.14Å; L70-H73 CarbonylContact O-C 3.54Å; L70-H73 PolarHBondContact O-N 2.82Å; E71-H73 PolarHBondContact O-N 3.16Å; E71-H73 VanDerWaalsContact O-N 3.13Å; H73-K75 HydrophobicContact CB-CG 4.31Å; H73-K75 PolarHBondContact O-N 3.45Å; H73-K75 VanDerWaalsContact O-N 3.16Å
74	N	87.1	Confident	89.5	Confident	143 Å²	143	49.9 Å²	49.9	77%	0.765	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	25.5	-176.4	-54	-76.7	0	0	0	113.6	L70 E71	L70-N74 PolarHBondContact O-N 3.05Å; E71-N74 PolarHBondContact O-N 2.97Å
75	K	88.3	Confident	89.6	Confident	68 Å²	68	48.1 Å²	48.1	30%	0.296	26%	0.264	S	S	.	.	S	Bend	trans	-90.6	-19.2	174.7	-69.7	-70.3	-166	159.8	0	111.5	D51 L70 H73 Y83	D51-K75 IonicContact OD1-NZ 2.75Å; D51-K75 PolarHBondContact OD1-NZ 3.23Å; L70-K75 HydrophobicContact CB-CB 4.27Å; L70-K75 HydrophobicContact CD2-CB 3.98Å; L70-K75 PolarHBondContact O-N 3.17Å; H73-K75 HydrophobicContact CB-CG 4.31Å; H73-K75 PolarHBondContact O-N 3.45Å; H73-K75 VanDerWaalsContact O-N 3.16Å; K75-Y83 HydrophobicContact CB-CD1 3.93Å; K75-Y83 HydrophobicContact CB-CE1 4.22Å; K75-Y83 HydrophobicContact CB-CG 4.2Å; K75-Y83 HydrophobicContact CD-CD2 4.03Å; K75-Y83 HydrophobicContact CD-CE2 4.02Å; K75-Y83 HydrophobicContact CD-CG 4.34Å; K75-Y83 WeakPolarHBondContact O-CB 3.38Å
76	L	91.9	Very high	89.6	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	27%	0.272	C	S	.	.			trans	-136.4	133.3	178.8	177.9	62.9	0	0	0	109.7	Y25 L29 F67 L70 E71 L81 I84	Y25-L76 WeakPolarHBondContact OH-CG 3.33Å; L29-L76 HydrophobicContact CD2-CD2 4.1Å; F67-L76 HydrophobicContact CB-CD2 4.12Å; F67-L76 HydrophobicContact CD1-CD2 3.61Å; F67-L76 HydrophobicContact CE1-CD2 4.5Å; F67-L76 HydrophobicContact CG-CD2 4.3Å; L70-L76 HydrophobicContact CB-CB 3.55Å; L70-L76 HydrophobicContact CB-CD2 4.17Å; L70-L76 HydrophobicContact CD1-CD2 4.41Å; L70-L76 PolarHBondContact O-N 2.66Å; E71-L76 WeakPolarHBondContact CA-O 3.34Å; E71-L76 HydrophobicContact CG-CB 4.38Å; E71-L76 HydrophobicContact CG-CD2 4.23Å; E71-L76 HydrophobicContact CG-CG 4.29Å; L76-L81 HydrophobicContact CD1-CD2 3.75Å; L76-I84 HydrophobicContact CD1-CB 4.48Å; L76-I84 HydrophobicContact CD1-CD1 3.66Å; L76-I84 HydrophobicContact CD1-CG1 3.86Å; L76-I84 HydrophobicContact CD1-CG2 3.82Å; L76-I84 HydrophobicContact CD2-CG2 4.18Å; L76-I84 HydrophobicContact CG-CG2 4.41Å
77	D	89.3	Confident	89.7	Confident	82 Å²	82	51.2 Å²	51.2	44%	0.439	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-147.5	163.2	171.9	-166.1	-2	0	0	0	108.6	D79 N80 L81	D77-D79 PolarHBondContact O-N 3.14Å; D77-D79 VanDerWaalsContact O-N 3.13Å; D77-N80 HydrophobicContact CB-CB 4.18Å; D77-N80 PolarHBondContact N-O 3.11Å; D77-N80 VanDerWaalsContact N-O 3.1Å; D77-N80 CarbonylContact O-C 3.49Å; D77-N80 VanDerWaalsContact O-C 3.24Å; D77-N80 PolarHBondContact O-N 3.11Å; D77-N80 VanDerWaalsContact O-O 3.1Å; D77-L81 WeakPolarHBondContact O-CD2 3.44Å
78	K	85.4	Confident	89.7	Confident	55 Å²	55	51.2 Å²	51.2	24%	0.239	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.5	176.4	73.2	-166.5	179.3	171.2	0	113.2	M22 Y25	M22-K78 HydrophobicContact CE-CD 3.52Å; M22-K78 HydrophobicContact SD-CD 3.49Å; M22-K78 WeakPolarHBondContact SD-CD 3.29Å; Y25-K78 HydrophobicContact CD1-CB 4.21Å; Y25-K78 HydrophobicContact CD2-CB 3.98Å; Y25-K78 HydrophobicContact CE2-CB 4.38Å; Y25-K78 HydrophobicContact CG-CB 3.86Å
79	D	83.4	Confident	89.7	Confident	100 Å²	100	54 Å²	54	54%	0.535	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-14	-179.8	-58.5	-43.5	0	0	0	111.8	D77	D77-D79 PolarHBondContact O-N 3.14Å; D77-D79 VanDerWaalsContact O-N 3.13Å
80	N	87.4	Confident	89.8	Confident	66 Å²	66	56.7 Å²	56.7	35%	0.353	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-127.7	91.3	-177	-174.3	13.2	0	0	0	111.8	D77 S82	D77-N80 HydrophobicContact CB-CB 4.18Å; D77-N80 PolarHBondContact N-O 3.11Å; D77-N80 VanDerWaalsContact N-O 3.1Å; D77-N80 CarbonylContact O-C 3.49Å; D77-N80 VanDerWaalsContact O-C 3.24Å; D77-N80 PolarHBondContact O-N 3.11Å; D77-N80 VanDerWaalsContact O-O 3.1Å; N80-S82 PolarHBondContact OD1-N 2.9Å; N80-S82 PolarHBondContact OD1-OG 3.03Å; N80-S82 VanDerWaalsContact OD1-OG 3.12Å
81	L	90.9	Very high	89.8	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	30%	0.297	C	S	.	.			trans	-100.2	-1.6	176.6	-51.9	174.5	0	0	0	112.6	Y25 L28 L76 D77 Y83 I84 E85 V100 Y103	Y25-L81 HydrophobicContact CD2-CD2 4.42Å; Y25-L81 HydrophobicContact CE2-CD2 3.97Å; L28-L81 HydrophobicContact CD2-CD1 4.31Å; L76-L81 HydrophobicContact CD1-CD2 3.75Å; D77-L81 WeakPolarHBondContact O-CD2 3.44Å; L81-Y83 PolarHBondContact O-N 3.25Å; L81-Y83 VanDerWaalsContact O-N 3.14Å; L81-I84 HydrophobicContact CB-CD1 4.34Å; L81-I84 HydrophobicContact CB-CG1 4.16Å; L81-I84 HydrophobicContact CD2-CD1 4.09Å; L81-I84 WeakPolarHBondContact O-CG1 3.3Å; L81-I84 PolarHBondContact O-N 3.47Å; L81-I84 VanDerWaalsContact O-N 3.15Å; L81-E85 WeakPolarHBondContact O-CG 3.42Å; L81-E85 PolarHBondContact O-N 3.19Å; L81-V100 HydrophobicContact CB-CG1 3.83Å; L81-V100 HydrophobicContact CD1-CG1 3.94Å; L81-V100 HydrophobicContact CG-CG1 4.44Å; L81-Y103 HydrophobicContact CD1-CD1 3.5Å; L81-Y103 HydrophobicContact CD1-CE1 3.78Å
82	S	90.4	Very high	89.8	Confident	74 Å²	74	63.9 Å²	63.9	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-57.5	-36.5	-170.9	-42.8	0	0	0	0	113	N80 H86	N80-S82 PolarHBondContact OD1-N 2.9Å; N80-S82 PolarHBondContact OD1-OG 3.03Å; N80-S82 VanDerWaalsContact OD1-OG 3.12Å; S82-H86 PolarHBondContact O-N 3.24Å; S82-H86 VanDerWaalsContact O-N 3.11Å
83	Y	91.1	Very high	89.9	Confident	30 Å²	30	61.5 Å²	61.5	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-49.8	179.2	-176	-98.8	0	0	0	111.4	D51 L70 K75 L81 E85 H86 I87	D51-Y83 VanDerWaalsContact CB-OH 3.3Å; D51-Y83 WeakPolarHBondContact CB-OH 3.46Å; D51-Y83 PolarHBondContact OD2-OH 2.75Å; L70-Y83 HydrophobicContact CD1-CD1 4.35Å; L70-Y83 HydrophobicContact CD1-CE1 4.36Å; L70-Y83 HydrophobicContact CD2-CD1 4.09Å; L70-Y83 HydrophobicContact CD2-CE1 3.57Å; K75-Y83 HydrophobicContact CB-CD1 3.93Å; K75-Y83 HydrophobicContact CB-CE1 4.22Å; K75-Y83 HydrophobicContact CB-CG 4.2Å; K75-Y83 HydrophobicContact CD-CD2 4.03Å; K75-Y83 HydrophobicContact CD-CE2 4.02Å; K75-Y83 HydrophobicContact CD-CG 4.34Å; K75-Y83 WeakPolarHBondContact O-CB 3.38Å; L81-Y83 PolarHBondContact O-N 3.25Å; L81-Y83 VanDerWaalsContact O-N 3.14Å; Y83-E85 VanDerWaalsContact C-N 3.3Å; Y83-E85 PolarHBondContact O-N 2.9Å; Y83-H86 WeakPolarHBondContact O-CB 3.34Å; Y83-H86 PolarHBondContact O-N 2.85Å; Y83-H86 VanDerWaalsContact O-N 3.16Å; Y83-I87 HydrophobicContact CD1-CG1 4.14Å; Y83-I87 HydrophobicContact CE1-CD1 4.22Å; Y83-I87 HydrophobicContact CE1-CG1 3.77Å; Y83-I87 HydrophobicContact CE2-CD1 4.46Å; Y83-I87 WeakPolarHBondContact O-CG1 3.27Å; Y83-I87 PolarHBondContact O-N 2.99Å
84	I	92	Very high	90.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-31.9	179.2	60.8	163.4	0	0	0	112.1	L32 W66 F67 L70 L76 L81 H86 I87 F88 V100	L32-I84 HydrophobicContact CD1-CD1 4.47Å; W66-I84 HydrophobicContact CH2-CG2 4.35Å; F67-I84 HydrophobicContact CE1-CG2 4.42Å; L70-I84 HydrophobicContact CD1-CG2 3.56Å; L76-I84 HydrophobicContact CD1-CB 4.48Å; L76-I84 HydrophobicContact CD1-CD1 3.66Å; L76-I84 HydrophobicContact CD1-CG1 3.86Å; L76-I84 HydrophobicContact CD1-CG2 3.82Å; L76-I84 HydrophobicContact CD2-CG2 4.18Å; L76-I84 HydrophobicContact CG-CG2 4.41Å; L81-I84 HydrophobicContact CB-CD1 4.34Å; L81-I84 HydrophobicContact CB-CG1 4.16Å; L81-I84 HydrophobicContact CD2-CD1 4.09Å; L81-I84 WeakPolarHBondContact O-CG1 3.3Å; L81-I84 PolarHBondContact O-N 3.47Å; L81-I84 VanDerWaalsContact O-N 3.15Å; I84-H86 VanDerWaalsContact C-N 3.34Å; I84-I87 PolarHBondContact O-N 3.19Å; I84-F88 HydrophobicContact CB-CE2 4.28Å; I84-F88 HydrophobicContact CD1-CE2 4.36Å; I84-F88 VanDerWaalsContact O-CD2 3.25Å; I84-F88 WeakPolarHBondContact O-CD2 3.49Å; I84-F88 VanDerWaalsContact O-CG 3.3Å; I84-F88 WeakPolarHBondContact O-CG 3.47Å; I84-F88 PolarHBondContact O-N 2.96Å; I84-V100 HydrophobicContact CD1-CG1 4.2Å; I84-V100 HydrophobicContact CD1-CG2 3.91Å; I84-V100 HydrophobicContact CG1-CG1 4.45Å
85	E	91.9	Very high	90.4	Very high	28 Å²	28	57.6 Å²	57.6	13%	0.131	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-49.4	170.6	-73.3	178.8	-167.9	0	0	110.4	L81 Y83 I87 F88 E89 L97 V100 R104	L81-E85 WeakPolarHBondContact O-CG 3.42Å; L81-E85 PolarHBondContact O-N 3.19Å; Y83-E85 VanDerWaalsContact C-N 3.3Å; Y83-E85 PolarHBondContact O-N 2.9Å; E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.97Å; E85-F88 PolarHBondContact O-N 3.28Å; E85-E89 WeakPolarHBondContact O-CB 3.5Å; E85-E89 PolarHBondContact O-N 3.23Å; E85-L97 HydrophobicContact CB-CD1 3.91Å; E85-L97 HydrophobicContact CG-CD1 4.11Å; E85-L97 WeakPolarHBondContact O-CD1 3.41Å; E85-V100 HydrophobicContact CG-CB 4.37Å; E85-V100 HydrophobicContact CG-CG1 3.52Å; E85-R104 IonicContact OE1-CZ 3.44Å; E85-R104 IonicContact OE1-NE 3.74Å; E85-R104 IonicContact OE1-NH1 2.85Å; E85-R104 PolarHBondContact OE1-NH1 3.48Å; E85-R104 IonicContact OE2-CZ 3.71Å; E85-R104 IonicContact OE2-NH1 2.76Å; E85-R104 PolarHBondContact OE2-NH1 3.23Å
86	H	91.5	Very high	90.6	Very high	96 Å²	96	54.4 Å²	54.4	44%	0.444	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-43.8	177.7	-177.7	57.2	0	0	0	112	S82 Y83 I84 F88 E89 I90	S82-H86 PolarHBondContact O-N 3.24Å; S82-H86 VanDerWaalsContact O-N 3.11Å; Y83-H86 WeakPolarHBondContact O-CB 3.34Å; Y83-H86 PolarHBondContact O-N 2.85Å; Y83-H86 VanDerWaalsContact O-N 3.16Å; I84-H86 VanDerWaalsContact C-N 3.34Å; H86-F88 PolarHBondContact O-N 3.21Å; H86-E89 WeakPolarHBondContact O-CB 3.46Å; H86-E89 PolarHBondContact O-N 3.47Å; H86-I90 WeakPolarHBondContact O-CG1 3.42Å; H86-I90 PolarHBondContact O-N 2.92Å
87	I	92.3	Very high	90.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-46.2	177.7	-62.2	-54.8	0	0	0	111	L44 A47 C48 W66 Y83 I84 E85 E89 I90 S91	L44-I87 HydrophobicContact CB-CG2 4.44Å; L44-I87 HydrophobicContact CD2-CG2 3.54Å; A47-I87 HydrophobicContact CB-CD1 4.35Å; A47-I87 HydrophobicContact CB-CG2 4.12Å; C48-I87 VanDerWaalsContact SG-CD1 3.57Å; W66-I87 HydrophobicContact CH2-CB 4.44Å; W66-I87 HydrophobicContact CH2-CG2 3.97Å; W66-I87 HydrophobicContact CZ2-CG2 3.92Å; Y83-I87 HydrophobicContact CD1-CG1 4.14Å; Y83-I87 HydrophobicContact CE1-CD1 4.22Å; Y83-I87 HydrophobicContact CE1-CG1 3.77Å; Y83-I87 HydrophobicContact CE2-CD1 4.46Å; Y83-I87 WeakPolarHBondContact O-CG1 3.27Å; Y83-I87 PolarHBondContact O-N 2.99Å; I84-I87 PolarHBondContact O-N 3.19Å; E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.97Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 3.22Å; I87-I90 HydrophobicContact CD1-CD1 4.04Å; I87-I90 VanDerWaalsContact O-CG1 3.28Å; I87-I90 WeakPolarHBondContact O-CG1 3.46Å; I87-I90 PolarHBondContact O-N 2.88Å; I87-S91 VanDerWaalsContact O-CB 3.25Å; I87-S91 WeakPolarHBondContact O-CB 3.39Å; I87-S91 PolarHBondContact O-N 2.81Å; I87-S91 PolarHBondContact O-OG 3.29Å; I87-S91 VanDerWaalsContact O-OG 3.1Å
88	F	93	Very high	90.8	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-31.8	178.3	-64.3	-33.8	0	0	0	113.2	L32 I36 L44 W66 F67 I84 E85 H86 R92 R93 L96 L97 V100	L32-F88 HydrophobicContact CD1-CE2 4.15Å; L32-F88 HydrophobicContact CD1-CZ 4.38Å; L32-F88 HydrophobicContact CD2-CE2 3.97Å; L32-F88 HydrophobicContact CD2-CZ 4.23Å; I36-F88 HydrophobicContact CD1-CE1 4.45Å; I36-F88 HydrophobicContact CD1-CZ 4.5Å; L44-F88 HydrophobicContact CD1-CE1 4.1Å; L44-F88 HydrophobicContact CD2-CD1 3.6Å; L44-F88 HydrophobicContact CD2-CE1 3.66Å; W66-F88 HydrophobicContact CH2-CE1 4.1Å; W66-F88 HydrophobicContact CH2-CZ 4.43Å; W66-F88 AromaticContact CZ3-CE1 3.97Å; W66-F88 HydrophobicContact CZ3-CE1 3.97Å; W66-F88 HydrophobicContact CZ3-CZ 4.07Å; F67-F88 HydrophobicContact CE1-CZ 4.28Å; F67-F88 HydrophobicContact CZ-CZ 4.14Å; I84-F88 HydrophobicContact CB-CE2 4.28Å; I84-F88 HydrophobicContact CD1-CE2 4.36Å; I84-F88 VanDerWaalsContact O-CD2 3.25Å; I84-F88 WeakPolarHBondContact O-CD2 3.49Å; I84-F88 VanDerWaalsContact O-CG 3.3Å; I84-F88 WeakPolarHBondContact O-CG 3.47Å; I84-F88 PolarHBondContact O-N 2.96Å; E85-F88 PolarHBondContact O-N 3.28Å; H86-F88 PolarHBondContact O-N 3.21Å; F88-R92 PolarHBondContact O-N 3.36Å; F88-R93 PolarHBondContact O-N 3.27Å; F88-L96 HydrophobicContact CB-CB 4.48Å; F88-L96 HydrophobicContact CD1-CB 3.96Å; F88-L96 HydrophobicContact CD1-CD1 3.9Å; F88-L96 HydrophobicContact CD2-CB 3.93Å; F88-L96 HydrophobicContact CE1-CB 4.12Å; F88-L96 HydrophobicContact CE1-CD1 3.71Å; F88-L96 HydrophobicContact CE2-CB 4.08Å; F88-L96 HydrophobicContact CG-CB 3.88Å; F88-L96 HydrophobicContact CZ-CB 4.18Å; F88-L96 HydrophobicContact CZ-CD1 4.29Å; F88-L97 HydrophobicContact CB-CB 4.01Å; F88-L97 HydrophobicContact CB-CD1 4.4Å; F88-V100 HydrophobicContact CD2-CG2 3.88Å; F88-V100 HydrophobicContact CE2-CG2 3.63Å
89	E	91.2	Very high	91.2	Very high	119 Å²	119	55.1 Å²	55.1	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-64.1	-49.8	173.6	-174.3	178.1	-164.2	0	0	111.9	E85 H86 I87 R92 L97	E85-E89 WeakPolarHBondContact O-CB 3.5Å; E85-E89 PolarHBondContact O-N 3.23Å; H86-E89 WeakPolarHBondContact O-CB 3.46Å; H86-E89 PolarHBondContact O-N 3.47Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 3.22Å; E89-R92 PolarHBondContact O-N 3.23Å; E89-L97 HydrophobicContact CB-CD2 4.33Å
90	I	91.3	Very high	91.5	Very high	77 Å²	77	50.4 Å²	50.4	40%	0.395	25%	0.253	S	S	.	.	H	α-helix	trans	-73.2	-31.5	-179.3	65.1	179.4	0	0	0	112.7	A47 H86 I87 R92	A47-I90 HydrophobicContact CB-CD1 3.72Å; A47-I90 HydrophobicContact CB-CG1 4.01Å; H86-I90 WeakPolarHBondContact O-CG1 3.42Å; H86-I90 PolarHBondContact O-N 2.92Å; I87-I90 HydrophobicContact CD1-CD1 4.04Å; I87-I90 VanDerWaalsContact O-CG1 3.28Å; I87-I90 WeakPolarHBondContact O-CG1 3.46Å; I87-I90 PolarHBondContact O-N 2.88Å; I90-R92 PolarHBondContact O-N 3.4Å
91	S	88.9	Confident	91.6	Very high	11 Å²	11	49.4 Å²	49.4	8%	0.077	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	2.2	173.3	-64.1	0	0	0	0	113.4	I87 R93	I87-S91 VanDerWaalsContact O-CB 3.25Å; I87-S91 WeakPolarHBondContact O-CB 3.39Å; I87-S91 PolarHBondContact O-N 2.81Å; I87-S91 PolarHBondContact O-OG 3.29Å; I87-S91 VanDerWaalsContact O-OG 3.1Å; S91-R93 VanDerWaalsContact C-N 3.28Å; S91-R93 PolarHBondContact O-N 2.92Å
92	R	91.8	Very high	91.5	Very high	208 Å²	208	52.5 Å²	52.5	79%	0.785	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	38.2	177.4	-56.4	-61.8	-170.1	178.8	-0.9	113.4	F88 E89 I90 P94	F88-R92 PolarHBondContact O-N 3.36Å; E89-R92 PolarHBondContact O-N 3.23Å; I90-R92 PolarHBondContact O-N 3.4Å; R92-P94 VanDerWaalsContact C-CD 3.4Å; R92-P94 WeakPolarHBondContact O-CD 3.36Å
93	R	91	Very high	91.4	Very high	33 Å²	33	49.3 Å²	49.3	13%	0.125	24%	0.243	C	C	.	.			trans	-108.8	75.3	175.8	-73	-62.7	-57.4	-85.6	0.6	111.4	N35 D40 F88 S91 D95 L96 L97	N35-R93 PolarHBondContact O-NH2 3Å; D40-R93 IonicContact OD1-CZ 3.34Å; D40-R93 IonicContact OD1-NH1 2.77Å; D40-R93 PolarHBondContact OD1-NH1 3.05Å; D40-R93 IonicContact OD2-CZ 3.26Å; D40-R93 IonicContact OD2-NH1 2.71Å; D40-R93 PolarHBondContact OD2-NH1 3.05Å; F88-R93 PolarHBondContact O-N 3.27Å; S91-R93 VanDerWaalsContact C-N 3.28Å; S91-R93 PolarHBondContact O-N 2.92Å; R93-D95 VanDerWaalsContact C-OD1 3.28Å; R93-D95 WeakPolarHBondContact CA-OD1 3.27Å; R93-D95 IonicContact CZ-OD1 3.82Å; R93-D95 IonicContact CZ-OD2 2.8Å; R93-D95 IonicContact NE-OD1 3.69Å; R93-D95 PolarHBondContact NE-OD1 2.72Å; R93-D95 IonicContact NE-OD2 2.67Å; R93-D95 PolarHBondContact NE-OD2 3.41Å; R93-D95 IonicContact NH2-OD1 3.82Å; R93-D95 IonicContact NH2-OD2 3.63Å; R93-D95 PolarHBondContact NH2-OD2 3.26Å; R93-D95 PolarHBondContact O-N 3.33Å; R93-L96 HydrophobicContact CB-CB 4.16Å; R93-L96 HydrophobicContact CB-CD1 3.9Å; R93-L96 HydrophobicContact CB-CG 4.08Å; R93-L96 HydrophobicContact CG-CD1 4.12Å; R93-L96 PolarHBondContact O-N 2.98Å; R93-L97 PolarHBondContact O-N 3.04Å
94	P	92.1	Very high	91.1	Very high	87 Å²	87	52.7 Å²	52.7	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-65.6	-24.6	-177.5	28.9	-36.3	0	0	0	112.7	R92 T98	R92-P94 VanDerWaalsContact C-CD 3.4Å; R92-P94 WeakPolarHBondContact O-CD 3.36Å; P94-T98 VanDerWaalsContact O-CB 3.31Å; P94-T98 WeakPolarHBondContact O-CB 3.31Å; P94-T98 PolarHBondContact O-N 3.49Å; P94-T98 PolarHBondContact O-OG1 3.45Å
95	D	92.6	Very high	90.6	Very high	63 Å²	63	55 Å²	55	34%	0.337	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-49.2	174.4	58.3	-38.2	0	0	0	112	R93 T98 M99	R93-D95 VanDerWaalsContact C-OD1 3.28Å; R93-D95 WeakPolarHBondContact CA-OD1 3.27Å; R93-D95 IonicContact CZ-OD1 3.82Å; R93-D95 IonicContact CZ-OD2 2.8Å; R93-D95 IonicContact NE-OD1 3.69Å; R93-D95 PolarHBondContact NE-OD1 2.72Å; R93-D95 IonicContact NE-OD2 2.67Å; R93-D95 PolarHBondContact NE-OD2 3.41Å; R93-D95 IonicContact NH2-OD1 3.82Å; R93-D95 IonicContact NH2-OD2 3.63Å; R93-D95 PolarHBondContact NH2-OD2 3.26Å; R93-D95 PolarHBondContact O-N 3.33Å; D95-T98 PolarHBondContact O-N 3.32Å; D95-M99 PolarHBondContact O-N 2.92Å
96	L	92.8	Very high	89.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-42.1	174.8	-60.8	179.6	0	0	0	111.1	L32 N35 I36 F88 R93 T98 M99 V100	L32-L96 HydrophobicContact CD2-CB 4.08Å; L32-L96 HydrophobicContact CD2-CD2 3.94Å; N35-L96 HydrophobicContact CB-CD2 3.72Å; I36-L96 HydrophobicContact CD1-CD1 4.24Å; I36-L96 HydrophobicContact CG1-CD1 3.61Å; I36-L96 HydrophobicContact CG1-CD2 4.15Å; F88-L96 HydrophobicContact CB-CB 4.48Å; F88-L96 HydrophobicContact CD1-CB 3.96Å; F88-L96 HydrophobicContact CD1-CD1 3.9Å; F88-L96 HydrophobicContact CD2-CB 3.93Å; F88-L96 HydrophobicContact CE1-CB 4.12Å; F88-L96 HydrophobicContact CE1-CD1 3.71Å; F88-L96 HydrophobicContact CE2-CB 4.08Å; F88-L96 HydrophobicContact CG-CB 3.88Å; F88-L96 HydrophobicContact CZ-CB 4.18Å; F88-L96 HydrophobicContact CZ-CD1 4.29Å; R93-L96 HydrophobicContact CB-CB 4.16Å; R93-L96 HydrophobicContact CB-CD1 3.9Å; R93-L96 HydrophobicContact CB-CG 4.08Å; R93-L96 HydrophobicContact CG-CD1 4.12Å; R93-L96 PolarHBondContact O-N 2.98Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.38Å; L96-M99 HydrophobicContact CD2-CE 4.04Å; L96-M99 PolarHBondContact O-N 3.1Å; L96-V100 PolarHBondContact O-N 3.34Å
97	L	93.6	Very high	88.9	Confident	41 Å²	41	56.5 Å²	56.5	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-41.2	176.1	-176	60	0	0	0	111.8	E85 F88 E89 R93 M99 V100 V101	E85-L97 HydrophobicContact CB-CD1 3.91Å; E85-L97 HydrophobicContact CG-CD1 4.11Å; E85-L97 WeakPolarHBondContact O-CD1 3.41Å; F88-L97 HydrophobicContact CB-CB 4.01Å; F88-L97 HydrophobicContact CB-CD1 4.4Å; E89-L97 HydrophobicContact CB-CD2 4.33Å; R93-L97 PolarHBondContact O-N 3.04Å; L97-M99 VanDerWaalsContact C-N 3.35Å; L97-M99 PolarHBondContact O-N 2.89Å; L97-V100 PolarHBondContact O-N 3.33Å; L97-V101 HydrophobicContact CD1-CG2 4.35Å; L97-V101 HydrophobicContact CG-CG2 4.45Å; L97-V101 WeakPolarHBondContact O-CG2 3.2Å; L97-V101 PolarHBondContact O-N 3.39Å
98	T	92.8	Very high	87.5	Confident	73 Å²	73	58.5 Å²	58.5	45%	0.448	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-43.4	177.3	-60.9	0	0	0	0	111	P94 D95 L96 V100 V101 D102	P94-T98 VanDerWaalsContact O-CB 3.31Å; P94-T98 WeakPolarHBondContact O-CB 3.31Å; P94-T98 PolarHBondContact O-N 3.49Å; P94-T98 PolarHBondContact O-OG1 3.45Å; D95-T98 PolarHBondContact O-N 3.32Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.38Å; T98-V100 VanDerWaalsContact C-N 3.31Å; T98-V100 PolarHBondContact O-N 3.47Å; T98-V101 PolarHBondContact O-N 2.94Å; T98-D102 VanDerWaalsContact O-CB 3.27Å; T98-D102 WeakPolarHBondContact O-CB 3.49Å; T98-D102 VanDerWaalsContact O-CG 3.24Å; T98-D102 PolarHBondContact O-N 2.7Å
99	M	92.4	Very high	85.8	Confident	44 Å²	44	63.7 Å²	63.7	22%	0.217	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-41.2	177.5	-65.3	179.9	-133.4	0	0	112.3	L28 L32 N35 D95 L96 L97 Y103	L28-M99 HydrophobicContact CD1-CB 4.31Å; L32-M99 HydrophobicContact CD2-CB 4.01Å; L32-M99 HydrophobicContact CD2-SD 4.2Å; N35-M99 HydrophobicContact CB-CE 3.93Å; D95-M99 PolarHBondContact O-N 2.92Å; L96-M99 HydrophobicContact CD2-CE 4.04Å; L96-M99 PolarHBondContact O-N 3.1Å; L97-M99 VanDerWaalsContact C-N 3.35Å; L97-M99 PolarHBondContact O-N 2.89Å; M99-Y103 WeakPolarHBondContact O-CB 3.25Å; M99-Y103 PolarHBondContact O-N 3.03Å
100	V	91.1	Very high	84	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-45.7	177.3	179.8	0	0	0	0	111.6	L32 L81 I84 E85 F88 L96 L97 T98 D102 Y103 R104	L32-V100 HydrophobicContact CD1-CG2 3.89Å; L32-V100 HydrophobicContact CD2-CG2 4.13Å; L81-V100 HydrophobicContact CB-CG1 3.83Å; L81-V100 HydrophobicContact CD1-CG1 3.94Å; L81-V100 HydrophobicContact CG-CG1 4.44Å; I84-V100 HydrophobicContact CD1-CG1 4.2Å; I84-V100 HydrophobicContact CD1-CG2 3.91Å; I84-V100 HydrophobicContact CG1-CG1 4.45Å; E85-V100 HydrophobicContact CG-CB 4.37Å; E85-V100 HydrophobicContact CG-CG1 3.52Å; F88-V100 HydrophobicContact CD2-CG2 3.88Å; F88-V100 HydrophobicContact CE2-CG2 3.63Å; L96-V100 PolarHBondContact O-N 3.34Å; L97-V100 PolarHBondContact O-N 3.33Å; T98-V100 VanDerWaalsContact C-N 3.31Å; T98-V100 PolarHBondContact O-N 3.47Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 2.88Å; V100-Y103 PolarHBondContact O-N 3.41Å; V100-R104 PolarHBondContact O-N 3.33Å
101	V	89.1	Confident	82	Confident	46 Å²	46	61.9 Å²	61.9	28%	0.279	30%	0.304	S	S	.	.	H	α-helix	trans	-64.6	-40.1	178.1	172.4	0	0	0	0	111.1	L97 T98 Y103 R104 T105	L97-V101 HydrophobicContact CD1-CG2 4.35Å; L97-V101 HydrophobicContact CG-CG2 4.45Å; L97-V101 WeakPolarHBondContact O-CG2 3.2Å; L97-V101 PolarHBondContact O-N 3.39Å; T98-V101 PolarHBondContact O-N 2.94Å; V101-Y103 VanDerWaalsContact C-N 3.35Å; V101-R104 PolarHBondContact O-N 2.88Å; V101-T105 HydrophobicContact CG1-CG2 4.3Å; V101-T105 WeakPolarHBondContact O-CB 3.44Å; V101-T105 VanDerWaalsContact O-CG2 3.28Å; V101-T105 WeakPolarHBondContact O-CG2 3.47Å; V101-T105 PolarHBondContact O-N 2.9Å; V101-T105 PolarHBondContact O-OG1 2.91Å
102	D	89.3	Confident	80.1	Confident	69 Å²	69	67.8 Å²	67.8	37%	0.369	33%	0.331	S	S	.	.	H	α-helix	trans	-65.2	-38.6	176.1	-77.2	-7	0	0	0	111.6	T98 V100 T105 R106	T98-D102 VanDerWaalsContact O-CB 3.27Å; T98-D102 WeakPolarHBondContact O-CB 3.49Å; T98-D102 VanDerWaalsContact O-CG 3.24Å; T98-D102 PolarHBondContact O-N 2.7Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 2.88Å; D102-T105 WeakPolarHBondContact CA-OG1 3.45Å; D102-T105 PolarHBondContact O-OG1 3.2Å; D102-R106 VanDerWaalsContact O-CB 3.31Å; D102-R106 WeakPolarHBondContact O-CB 3.25Å; D102-R106 VanDerWaalsContact O-CG 3.23Å; D102-R106 WeakPolarHBondContact O-CG 3.28Å; D102-R106 PolarHBondContact O-N 2.78Å; D102-R106 PolarHBondContact O-NE 3.3Å
103	Y	87.9	Confident	77.8	Confident	8 Å²	8	63.9 Å²	63.9	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-50.1	171.4	172.5	-88.8	0	0	0	111.1	V21 E24 Y25 L28 L81 M99 V100 V101 T105 R106 V107	V21-Y103 PolarHBondContact O-OH 3.23Å; E24-Y103 VanDerWaalsContact C-CE2 3.48Å; E24-Y103 HydrophobicContact CB-CE2 3.81Å; Y25-Y103 WeakPolarHBondContact CB-OH 3.3Å; L28-Y103 HydrophobicContact CB-CD2 3.92Å; L28-Y103 HydrophobicContact CB-CE2 4.35Å; L28-Y103 HydrophobicContact CB-CG 4.3Å; L28-Y103 HydrophobicContact CD1-CG 4.41Å; L28-Y103 HydrophobicContact CD2-CD1 3.72Å; L28-Y103 HydrophobicContact CD2-CD2 4.04Å; L28-Y103 HydrophobicContact CD2-CE1 4.29Å; L28-Y103 HydrophobicContact CD2-CG 3.59Å; L28-Y103 HydrophobicContact CG-CD2 4.42Å; L28-Y103 HydrophobicContact CG-CG 4.29Å; L81-Y103 HydrophobicContact CD1-CD1 3.5Å; L81-Y103 HydrophobicContact CD1-CE1 3.78Å; M99-Y103 WeakPolarHBondContact O-CB 3.25Å; M99-Y103 PolarHBondContact O-N 3.03Å; V100-Y103 PolarHBondContact O-N 3.41Å; V101-Y103 VanDerWaalsContact C-N 3.35Å; Y103-T105 VanDerWaalsContact C-N 3.26Å; Y103-T105 PolarHBondContact O-N 3.2Å; Y103-R106 PolarHBondContact O-N 3.22Å; Y103-R106 VanDerWaalsContact O-N 3.13Å; Y103-V107 HydrophobicContact CD1-CG2 4.44Å; Y103-V107 HydrophobicContact CD2-CB 4.1Å; Y103-V107 HydrophobicContact CD2-CG2 3.3Å; Y103-V107 HydrophobicContact CE1-CB 4.21Å; Y103-V107 HydrophobicContact CE1-CG2 4.45Å; Y103-V107 HydrophobicContact CE2-CB 3.76Å; Y103-V107 HydrophobicContact CE2-CG1 3.91Å; Y103-V107 HydrophobicContact CE2-CG2 3.3Å; Y103-V107 HydrophobicContact CG-CB 4.45Å; Y103-V107 HydrophobicContact CG-CG2 3.9Å; Y103-V107 WeakPolarHBondContact O-CB 3.23Å; Y103-V107 WeakPolarHBondContact O-CG2 3.47Å; Y103-V107 PolarHBondContact O-N 2.65Å
104	R	84.6	Confident	75.8	Confident	101 Å²	101	67.7 Å²	67.7	38%	0.381	34%	0.344	S	S	.	.	I	π-helix	trans	-58.2	-40.7	179.1	-177.5	175.6	78.1	-173.1	2.5	111.9	E85 V100 V101 L108 K109	E85-R104 IonicContact OE1-CZ 3.44Å; E85-R104 IonicContact OE1-NE 3.74Å; E85-R104 IonicContact OE1-NH1 2.85Å; E85-R104 PolarHBondContact OE1-NH1 3.48Å; E85-R104 IonicContact OE2-CZ 3.71Å; E85-R104 IonicContact OE2-NH1 2.76Å; E85-R104 PolarHBondContact OE2-NH1 3.23Å; V100-R104 PolarHBondContact O-N 3.33Å; V101-R104 PolarHBondContact O-N 2.88Å; R104-L108 HydrophobicContact CB-CD1 4.32Å; R104-L108 HydrophobicContact CG-CD1 3.85Å; R104-L108 WeakPolarHBondContact O-CB 3.17Å; R104-L108 PolarHBondContact O-N 3.34Å; R104-K109 PolarHBondContact O-N 2.87Å
105	T	82.3	Confident	73.8	Confident	48 Å²	48	70.5 Å²	70.5	29%	0.294	35%	0.35	S	S	.	.	I	π-helix	trans	-77	-22.8	-179.6	55.5	0	0	0	0	113.9	V101 D102 Y103 K109	V101-T105 HydrophobicContact CG1-CG2 4.3Å; V101-T105 WeakPolarHBondContact O-CB 3.44Å; V101-T105 VanDerWaalsContact O-CG2 3.28Å; V101-T105 WeakPolarHBondContact O-CG2 3.47Å; V101-T105 PolarHBondContact O-N 2.9Å; V101-T105 PolarHBondContact O-OG1 2.91Å; D102-T105 WeakPolarHBondContact CA-OG1 3.45Å; D102-T105 PolarHBondContact O-OG1 3.2Å; Y103-T105 VanDerWaalsContact C-N 3.26Å; Y103-T105 PolarHBondContact O-N 3.2Å; T105-K109 VanDerWaalsContact O-CB 3.25Å; T105-K109 WeakPolarHBondContact O-CB 3.36Å; T105-K109 VanDerWaalsContact O-CD 3.28Å; T105-K109 WeakPolarHBondContact O-CD 3.38Å; T105-K109 WeakPolarHBondContact O-CG 3.48Å
106	R	77.4	Confident	71.6	Confident	146 Å²	146	72.6 Å²	72.6	55%	0.551	36%	0.36	S	S	*	.	I	π-helix	trans	-89.9	-59.5	174.5	-69.4	178.3	-67.3	-171.2	4.1	110.6	D102 Y103 I110	D102-R106 VanDerWaalsContact O-CB 3.31Å; D102-R106 WeakPolarHBondContact O-CB 3.25Å; D102-R106 VanDerWaalsContact O-CG 3.23Å; D102-R106 WeakPolarHBondContact O-CG 3.28Å; D102-R106 PolarHBondContact O-N 2.78Å; D102-R106 PolarHBondContact O-NE 3.3Å; Y103-R106 PolarHBondContact O-N 3.22Å; Y103-R106 VanDerWaalsContact O-N 3.13Å; R106-I110 VanDerWaalsContact O-CB 3.25Å; R106-I110 WeakPolarHBondContact O-CB 2.95Å; R106-I110 WeakPolarHBondContact O-CD1 3.31Å; R106-I110 WeakPolarHBondContact O-CG1 3.24Å; R106-I110 PolarHBondContact O-N 3.3Å
107	V	70.1	Confident	69.1	Low	10 Å²	10	77.1 Å²	77.1	6%	0.061	38%	0.384	C	S	.	.	I	π-helix	trans	-77.6	-45.9	-166.8	-169.7	0	0	0	0	112.2	V21 E24 Y103 S111	V21-V107 HydrophobicContact CG1-CG1 4.21Å; E24-V107 HydrophobicContact CB-CG1 4.24Å; E24-V107 HydrophobicContact CB-CG2 4.2Å; E24-V107 WeakPolarHBondContact OE2-CG1 3.27Å; E24-V107 WeakPolarHBondContact OE2-CG2 3.47Å; Y103-V107 HydrophobicContact CD1-CG2 4.44Å; Y103-V107 HydrophobicContact CD2-CB 4.1Å; Y103-V107 HydrophobicContact CD2-CG2 3.3Å; Y103-V107 HydrophobicContact CE1-CB 4.21Å; Y103-V107 HydrophobicContact CE1-CG2 4.45Å; Y103-V107 HydrophobicContact CE2-CB 3.76Å; Y103-V107 HydrophobicContact CE2-CG1 3.91Å; Y103-V107 HydrophobicContact CE2-CG2 3.3Å; Y103-V107 HydrophobicContact CG-CB 4.45Å; Y103-V107 HydrophobicContact CG-CG2 3.9Å; Y103-V107 WeakPolarHBondContact O-CB 3.23Å; Y103-V107 WeakPolarHBondContact O-CG2 3.47Å; Y103-V107 PolarHBondContact O-N 2.65Å; V107-S111 PolarHBondContact O-N 2.91Å
108	L	61.4	Low	67.2	Low	44 Å²	44	80 Å²	80	23%	0.23	40%	0.404	C	S	.	.	I	π-helix	trans	-77.8	-29.3	-178.5	-64.2	168.9	0	0	0	112	R104	R104-L108 HydrophobicContact CB-CD1 4.32Å; R104-L108 HydrophobicContact CG-CD1 3.85Å; R104-L108 WeakPolarHBondContact O-CB 3.17Å; R104-L108 PolarHBondContact O-N 3.34Å
109	K	58.1	Low	65.1	Low	110 Å²	110	84.9 Å²	84.9	48%	0.478	42%	0.419	S	S	.	.	H	α-helix	trans	-75.8	-37.7	173.1	-64	-171.7	-176.1	171.9	0	113.4	R104 T105 S111 E112 E113	R104-K109 PolarHBondContact O-N 2.87Å; T105-K109 VanDerWaalsContact O-CB 3.25Å; T105-K109 WeakPolarHBondContact O-CB 3.36Å; T105-K109 VanDerWaalsContact O-CD 3.28Å; T105-K109 WeakPolarHBondContact O-CD 3.38Å; T105-K109 WeakPolarHBondContact O-CG 3.48Å; K109-S111 PolarHBondContact O-N 3.36Å; K109-E112 CarbonylContact O-C 3.52Å; K109-E112 PolarHBondContact O-N 3.05Å; K109-E113 WeakPolarHBondContact O-CB 3.45Å; K109-E113 PolarHBondContact O-N 3.28Å
110	I	52.6	Low	63	Low	86 Å²	86	88.8 Å²	88.8	44%	0.441	44%	0.44	S	S	.	.	H	α-helix	trans	-62.2	-35.9	176.4	-69	163	0	0	0	110.3	R106 E112 E113 D114	R106-I110 VanDerWaalsContact O-CB 3.25Å; R106-I110 WeakPolarHBondContact O-CB 2.95Å; R106-I110 WeakPolarHBondContact O-CD1 3.31Å; R106-I110 WeakPolarHBondContact O-CG1 3.24Å; R106-I110 PolarHBondContact O-N 3.3Å; I110-E112 VanDerWaalsContact C-N 3.29Å; I110-E112 PolarHBondContact O-N 3.37Å; I110-E113 PolarHBondContact O-N 2.71Å; I110-D114 PolarHBondContact O-N 2.77Å
111	S	49.5	Very low	61	Low	72 Å²	72	93.6 Å²	93.6	50%	0.503	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-30.1	173.8	-170.7	0	0	0	0	113.9	V107 K109	V107-S111 PolarHBondContact O-N 2.91Å; K109-S111 PolarHBondContact O-N 3.36Å
112	E	49.5	Very low	59.1	Low	135 Å²	135	101.6 Å²	101.6	63%	0.631	50%	0.495	S	S	*	.	H	α-helix	trans	-85.4	-35.3	172.5	-71	-177.5	161.9	0	0	111.8	K109 I110 E115 L116	K109-E112 CarbonylContact O-C 3.52Å; K109-E112 PolarHBondContact O-N 3.05Å; I110-E112 VanDerWaalsContact C-N 3.29Å; I110-E112 PolarHBondContact O-N 3.37Å; E112-E115 PolarHBondContact O-N 3.44Å; E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.49Å; E112-L116 PolarHBondContact O-N 3.32Å
113	E	44.1	Very low	57.1	Low	125 Å²	125	103.8 Å²	103.8	58%	0.584	51%	0.505	S	S	*	.	H	α-helix	trans	-69.7	-34.5	-178.1	-110.4	171	-173.1	0	0	113.1	K109 I110 E115 L116 D117	K109-E113 WeakPolarHBondContact O-CB 3.45Å; K109-E113 PolarHBondContact O-N 3.28Å; I110-E113 PolarHBondContact O-N 2.71Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 2.93Å; E113-L116 CarbonylContact O-C 3.24Å; E113-L116 PolarHBondContact O-N 2.96Å; E113-L116 VanDerWaalsContact O-N 3.11Å; E113-D117 WeakPolarHBondContact O-CB 3.41Å; E113-D117 PolarHBondContact O-N 3.25Å
114	D	48.1	Very low	55.4	Low	113 Å²	113	109.2 Å²	109.2	60%	0.604	54%	0.541	S	S	*	.	H	α-helix	trans	-67.5	-29	173.3	-80	-34.3	0	0	0	112.3	I110	I110-D114 PolarHBondContact O-N 2.77Å
115	E	50.8	Low	53.6	Low	147 Å²	147	107.1 Å²	107.1	69%	0.687	54%	0.542	S	S	*	.	H	α-helix	trans	-76.1	-30.3	169.1	-72.5	-164.4	170.4	0	0	112.7	E112 E113 T118 K119	E112-E115 PolarHBondContact O-N 3.44Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 2.93Å; E115-T118 PolarHBondContact O-OG1 3.28Å; E115-K119 VanDerWaalsContact O-CG 3.27Å; E115-K119 WeakPolarHBondContact O-CG 3.43Å
116	L	45.5	Very low	52	Low	106 Å²	106	109.9 Å²	109.9	56%	0.555	57%	0.57	S	S	*	*	H	α-helix	trans	-80	-34.2	177.8	-68.7	172.8	0	0	0	113.1	E112 E113 T118 K119 L120	E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.49Å; E112-L116 PolarHBondContact O-N 3.32Å; E113-L116 CarbonylContact O-C 3.24Å; E113-L116 PolarHBondContact O-N 2.96Å; E113-L116 VanDerWaalsContact O-N 3.11Å; L116-T118 PolarHBondContact O-N 3.03Å; L116-K119 CarbonylContact O-C 3.59Å; L116-K119 WeakPolarHBondContact O-CA 3.49Å; L116-K119 PolarHBondContact O-N 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 PolarHBondContact O-N 2.83Å
117	D	42	Very low	50.7	Low	95 Å²	95	112.1 Å²	112.1	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-71.7	-32	-176.1	-157.8	52.2	0	0	0	111.9	E113 K119 L120 T121	E113-D117 WeakPolarHBondContact O-CB 3.41Å; E113-D117 PolarHBondContact O-N 3.25Å; D117-K119 VanDerWaalsContact C-N 3.27Å; D117-K119 PolarHBondContact O-N 3.28Å; D117-L120 PolarHBondContact O-N 3.06Å; D117-T121 WeakPolarHBondContact O-CG2 3.36Å; D117-T121 PolarHBondContact O-N 3.34Å; D117-T121 VanDerWaalsContact O-N 3.15Å; D117-T121 PolarHBondContact O-OG1 3.23Å
118	T	52.2	Low	50	Low	103 Å²	103	119.4 Å²	119.4	63%	0.632	61%	0.614	S	S	*	*	H	α-helix	trans	-70.4	-21.6	169.6	58	0	0	0	0	113.4	E115 L116	E115-T118 PolarHBondContact O-OG1 3.28Å; L116-T118 PolarHBondContact O-N 3.03Å
119	K	49.7	Very low	49.6	Very low	174 Å²	174	125.9 Å²	125.9	76%	0.757	64%	0.637	S	S	*	*	H	α-helix	trans	-91.5	-23.4	174.8	-62.9	-94	-178.3	166	0	112.6	E115 L116 D117	E115-K119 VanDerWaalsContact O-CG 3.27Å; E115-K119 WeakPolarHBondContact O-CG 3.43Å; L116-K119 CarbonylContact O-C 3.59Å; L116-K119 WeakPolarHBondContact O-CA 3.49Å; L116-K119 PolarHBondContact O-N 3.29Å; D117-K119 VanDerWaalsContact C-N 3.27Å; D117-K119 PolarHBondContact O-N 3.28Å
120	L	48.2	Very low	49.5	Very low	126 Å²	126	129.2 Å²	129.2	66%	0.66	65%	0.652	S	S	*	*	H	α-helix	trans	-93.4	-21.7	-176.4	-163.3	62	0	0	0	113.7	L116 D117	L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 PolarHBondContact O-N 2.83Å; D117-L120 PolarHBondContact O-N 3.06Å
121	T	49.2	Very low	49.7	Very low	102 Å²	102	131.8 Å²	131.8	63%	0.626	67%	0.666	S	S	*	*	S	Bend	trans	-92.6	-1.8	179.8	56.3	0	0	0	0	115	D117 I123	D117-T121 WeakPolarHBondContact O-CG2 3.36Å; D117-T121 PolarHBondContact O-N 3.34Å; D117-T121 VanDerWaalsContact O-N 3.15Å; D117-T121 PolarHBondContact O-OG1 3.23Å; T121-I123 PolarHBondContact O-N 3.12Å
122	R	49.3	Very low	50	Low	214 Å²	214	134.4 Å²	134.4	81%	0.808	67%	0.673	S	S	*	*			trans	-100.2	60.4	173.3	-154.5	177.7	-166.8	175.9	4.5	112.6	P124	R122-P124 VanDerWaalsContact C-CD 3.44Å; R122-P124 WeakPolarHBondContact O-CD 3.06Å
123	I	46.3	Very low	50.6	Low	115 Å²	115	134.4 Å²	134.4	59%	0.59	68%	0.676	S	S	*	*			trans	-95.8	92.1	161.9	-55.8	177.8	0	0	0	108.8	T121 S125	T121-I123 PolarHBondContact O-N 3.12Å; I123-S125 WeakPolarHBondContact CG2-OG 3.43Å; I123-S125 PolarHBondContact O-N 3.08Å
124	P	51.6	Low	51.4	Low	121 Å²	121	138.3 Å²	138.3	79%	0.786	69%	0.686	S	S	*	*			trans	-79.6	65.8	159.3	34	-31.7	0	0	0	108.9	R122	R122-P124 VanDerWaalsContact C-CD 3.44Å; R122-P124 WeakPolarHBondContact O-CD 3.06Å
125	S	47	Very low	51.8	Low	57 Å²	57	141 Å²	141	40%	0.399	69%	0.694	S	S	.	*			trans	-158.7	54.5	171.8	67.3	0	0	0	0	113.8	I123 K127	I123-S125 WeakPolarHBondContact CG2-OG 3.43Å; I123-S125 PolarHBondContact O-N 3.08Å; S125-K127 PolarHBondContact O-N 3.44Å
126	A	49	Very low	51.9	Low	106 Å²	106	138.6 Å²	138.6	88%	0.876	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	28.3	156.4	0	0	0	0	0	113.3
127	K	51.3	Low	52.4	Low	194 Å²	194	136.6 Å²	136.6	84%	0.843	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	-9.1	-175.7	-96	-175.2	178.4	171.1	0	116.1	S125	S125-K127 PolarHBondContact O-N 3.44Å
128	K	54.7	Low	53.2	Low	162 Å²	162	140.2 Å²	140.2	70%	0.704	70%	0.7	S	S	*	*	S	Bend	trans	-111.7	4	-173	-140	-177.1	-178.4	-176.9	0	116.3
129	Y	52.8	Low	53.4	Low	180 Å²	180	144.1 Å²	144.1	71%	0.706	71%	0.712	S	S	*	*	S	Bend	trans	-98.5	5.2	177.7	-69.3	-78.3	0	0	0	114.5	D131 I132	Y129-D131 VanDerWaalsContact C-N 3.33Å; Y129-I132 HydrophobicContact CD1-CD1 4.21Å
130	K	57.2	Low	53.7	Low	181 Å²	181	142.3 Å²	142.3	79%	0.787	71%	0.706	S	S	*	*	S	Bend	trans	-77.9	-19.8	173.5	-68.6	-155.5	176.7	-171.6	0	113.4
131	D	55	Low	54.5	Low	139 Å²	139	141.3 Å²	141.3	74%	0.743	70%	0.7	S	S	*	*	S	Bend	trans	-93.1	-5.2	-170.9	-55.9	-30.3	0	0	0	114	Y129	Y129-D131 VanDerWaalsContact C-N 3.33Å
132	I	57.8	Low	55.1	Low	127 Å²	127	143.8 Å²	143.8	65%	0.651	71%	0.708	S	S	*	*	S	Bend	trans	-97.9	-13.4	-176.4	-58.6	167.5	0	0	0	112.2	Y129 R134	Y129-I132 HydrophobicContact CD1-CD1 4.21Å; I132-R134 VanDerWaalsContact C-N 3.3Å; I132-R134 PolarHBondContact O-N 2.78Å
133	I	61.7	Low	55.8	Low	135 Å²	135	143.2 Å²	143.2	69%	0.692	71%	0.711	S	S	*	*			trans	-74.4	89.1	171.8	-52.6	-71.8	0	0	0	107.7	Q135	I133-Q135 PolarHBondContact O-N 3.28Å
134	R	60.5	Low	56.7	Low	208 Å²	208	145.4 Å²	145.4	79%	0.785	72%	0.723	S	S	*	*			trans	-61.4	106.6	168.3	-165.5	176.7	179	-111.1	-1	107.1	I132 P136	I132-R134 VanDerWaalsContact C-N 3.3Å; I132-R134 PolarHBondContact O-N 2.78Å; R134-P136 WeakPolarHBondContact O-CD 3.31Å
135	Q	56.5	Low	57.6	Low	168 Å²	168	143.4 Å²	143.4	79%	0.785	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.8	171.2	-66.9	-177.3	8.5	0	0	107.5	I133 S137	I133-Q135 PolarHBondContact O-N 3.28Å; Q135-S137 PolarHBondContact O-N 2.93Å
136	P	51.8	Low	58.8	Low	98 Å²	98	146.3 Å²	146.3	64%	0.636	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.5	126.6	168.1	25.6	-30.6	0	0	0	108	R134	R134-P136 WeakPolarHBondContact O-CD 3.31Å
137	S	56.3	Low	59.6	Low	64 Å²	64	146.5 Å²	146.5	45%	0.448	73%	0.727	S	S	.	*	P	Polyproline II helix	trans	-63.6	146.4	173.6	44.2	0	0	0	0	110.2	Q135 E139 E140	Q135-S137 PolarHBondContact O-N 2.93Å; S137-E139 PolarHBondContact O-N 3.26Å; S137-E140 PolarHBondContact O-N 3.33Å
138	E	58.5	Low	60.5	Low	170 Å²	170	143.3 Å²	143.3	79%	0.794	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-56.1	-15.9	-177.8	-78	-171.5	149.4	0	0	114.6	I141	E138-I141 HydrophobicContact CB-CD1 4.27Å; E138-I141 HydrophobicContact CG-CD1 4.13Å
139	E	57.1	Low	61.2	Low	186 Å²	186	145.5 Å²	145.5	87%	0.869	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-77.1	-18.7	179	-64.9	169.7	-179.3	0	0	113.9	S137	S137-E139 PolarHBondContact O-N 3.26Å
140	E	56.6	Low	61.6	Low	135 Å²	135	146.8 Å²	146.8	63%	0.631	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-95.3	-1.1	176.1	-90.9	-177.1	161.2	0	0	113.4	S137 I142	S137-E140 PolarHBondContact O-N 3.33Å; E140-I142 PolarHBondContact O-N 2.67Å
141	I	64.4	Low	61.8	Low	105 Å²	105	146.4 Å²	146.4	54%	0.538	78%	0.775	S	S	.	*	S	Bend	trans	-73.6	114	176.7	-51.1	174.2	0	0	0	108.1	E138 K143	E138-I141 HydrophobicContact CB-CD1 4.27Å; E138-I141 HydrophobicContact CG-CD1 4.13Å; I141-K143 PolarHBondContact O-N 2.8Å
142	I	61.7	Low	62.2	Low	155 Å²	155	146.8 Å²	146.8	80%	0.795	78%	0.777	S	S	*	*			trans	-55	107.2	174.4	-59.6	169.7	0	0	0	108.3	E140 L144	E140-I142 PolarHBondContact O-N 2.67Å; I142-L144 PolarHBondContact O-N 3.29Å
143	K	64.7	Low	62.4	Low	201 Å²	201	147.8 Å²	147.8	87%	0.874	78%	0.783	S	S	*	*			trans	-68.7	94.6	173.4	-72.5	-178.8	179.5	175.7	0	108.8	I141 A145	I141-K143 PolarHBondContact O-N 2.8Å; K143-A145 PolarHBondContact O-N 2.6Å
144	L	65.5	Low	62.4	Low	161 Å²	161	148.5 Å²	148.5	84%	0.843	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.8	118.7	170.4	-169.5	67.6	0	0	0	108.6	I142	I142-L144 PolarHBondContact O-N 3.29Å
145	A	69.9	Low	62.6	Low	80 Å²	80	145 Å²	145	66%	0.661	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-58.5	140	177.2	0	0	0	0	0	110.4	K143	K143-A145 PolarHBondContact O-N 2.6Å
146	P	71.2	Confident	62.9	Low	118 Å²	118	143.6 Å²	143.6	77%	0.766	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-62	138.3	179.8	22.5	-30.4	0	0	0	110.6
147	P	67.1	Low	63.7	Low	110 Å²	110	146.6 Å²	146.6	71%	0.714	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.4	144.5	-176.9	23.3	-31.4	0	0	0	111.2	K149	P147-K149 PolarHBondContact O-N 3.36Å
148	P	70.3	Confident	64.2	Low	126 Å²	126	152.5 Å²	152.5	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-63	130.4	-177.7	24.7	-32.5	0	0	0	110.6	K150	P148-K150 PolarHBondContact O-N 3.42Å
149	K	69.4	Low	64.6	Low	208 Å²	208	151.2 Å²	151.2	90%	0.904	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-70.9	123.9	172.9	-65.5	-178.9	-178.8	179.1	0	108.4	P147	P147-K149 PolarHBondContact O-N 3.36Å
150	K	60.8	Low	65.3	Low	207 Å²	207	148.3 Å²	148.3	90%	0.9	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-65.3	132.6	167.9	-77.7	-177.6	176.5	179.3	0	108.8	P148	P148-K150 PolarHBondContact O-N 3.42Å
151	A	61.8	Low	66.1	Low	173 Å²	173	149.5 Å²	149.5	100%	1.43	84%	0.84	S	S	*	*			trans	-70.9	0	169.7	0	0	0	0	0	111.2

Retrieved 151 of 151 residues in 1218.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).