A0A087Y6A6_POEFO Loading...

Transcription factor HES-5

Transcriptional repressor of genes that require a bHLH protein for their transcription. Plays an important role as neurogenesis negative regulator.

AlphaFold DB , UniProt , Accession A0A087Y6A6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 163 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	36.3	Very low	42.8	Very low	251 Å²	251	146.3 Å²	146.3	100%	1.236	87%	0.867	S	S	*	*				0	111.7	0	-76	167.5	150.2	0	0	107.5
2	A	33.5	Very low	43.4	Very low	96 Å²	96	146.5 Å²	146.5	79%	0.793	85%	0.852	S	S	*	*			trans	-109.3	132.1	175.3	0	0	0	0	0	108.3
3	P	45.8	Very low	43.8	Very low	131 Å²	131	148 Å²	148	85%	0.851	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-84.8	136.8	-177.6	29.9	-27.3	0	0	0	112.1
4	T	44.9	Very low	44.8	Very low	138 Å²	138	142.4 Å²	142.4	85%	0.847	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-68.6	121.1	172.5	-43.3	0	0	0	0	110.3
5	A	45.7	Very low	45.6	Very low	99 Å²	99	137.5 Å²	137.5	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.1	122.7	169.1	0	0	0	0	0	110
6	Y	43.1	Very low	46.6	Very low	221 Å²	221	135.3 Å²	135.3	87%	0.867	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-49.7	136.3	180	-99	-110.3	0	0	0	113.6	Q8	Y6-Q8 PolarHBondContact O-N 3.28Å; Y6-Q8 VanDerWaalsContact O-N 3.17Å
7	G	45.6	Very low	47.5	Very low	79 Å²	79	130.6 Å²	130.6	81%	0.814	76%	0.76	S	S	*	*			trans	-62.1	111.8	169.5	0	0	0	0	0	111.4	A9	G7-A9 PolarHBondContact O-N 3.07Å
8	Q	39.6	Very low	48.2	Very low	192 Å²	192	129.3 Å²	129.3	90%	0.897	75%	0.745	S	S	*	*			trans	-74.1	118.1	161.8	-76.5	179.1	-77.3	0	0	108.3	Y6 S10	Y6-Q8 PolarHBondContact O-N 3.28Å; Y6-Q8 VanDerWaalsContact O-N 3.17Å; Q8-S10 PolarHBondContact O-N 3.25Å
9	A	46.8	Very low	49	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	73%	0.726	S	S	*	*			trans	-53.4	108.9	169.5	0	0	0	0	0	109.8	G7 K11	G7-A9 PolarHBondContact O-N 3.07Å; A9-K11 PolarHBondContact O-N 2.96Å; A9-K11 VanDerWaalsContact O-N 3.08Å
10	S	43.5	Very low	49.6	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	71%	0.71	S	S	*	*			trans	-69.9	104.8	173.9	-161.8	0	0	0	0	108.2	Q8 E12	Q8-S10 PolarHBondContact O-N 3.25Å; S10-E12 PolarHBondContact O-N 3.25Å
11	K	45.9	Very low	50.2	Low	201 Å²	201	123.4 Å²	123.4	87%	0.874	70%	0.701	S	S	*	*			trans	-71.7	87.8	168.2	-164	176	-172	174.6	0	106.4	A9 H13	A9-K11 PolarHBondContact O-N 2.96Å; A9-K11 VanDerWaalsContact O-N 3.08Å; K11-H13 PolarHBondContact O-N 3.21Å
12	E	49.8	Very low	51.5	Low	149 Å²	149	116.8 Å²	116.8	70%	0.696	67%	0.67	S	S	*	*			trans	-55.9	108.9	-173.9	-61.1	-146.6	154.2	0	0	111.1	S10 L14	S10-E12 PolarHBondContact O-N 3.25Å; E12-L14 PolarHBondContact O-N 2.86Å
13	H	49.5	Very low	53.2	Low	166 Å²	166	120 Å²	120	77%	0.769	66%	0.662	S	S	*	*			trans	-75.7	78.5	172.3	-167.2	96.6	0	0	0	108.2	K11 T15	K11-H13 PolarHBondContact O-N 3.21Å; H13-T15 PolarHBondContact O-N 3.01Å
14	L	57.6	Low	54.5	Low	69 Å²	69	119.9 Å²	119.9	36%	0.361	65%	0.648	S	S	.	*			trans	-58.5	123.4	175.7	-69.8	166.8	0	0	0	109.4	E12 H18 K19	E12-L14 PolarHBondContact O-N 2.86Å; L14-H18 HydrophobicContact CB-CB 4.48Å; L14-H18 HydrophobicContact CD2-CB 4.35Å; L14-K19 HydrophobicContact CB-CG 4.14Å; L14-K19 WeakPolarHBondContact O-CE 3.43Å; L14-K19 PolarHBondContact O-NZ 3.28Å; L14-K19 VanDerWaalsContact O-NZ 3.16Å
15	T	56.7	Low	56.5	Low	69 Å²	69	116.8 Å²	116.8	42%	0.423	63%	0.631	S	S	.	*			trans	-55.3	148	177.9	54.9	0	0	0	0	110.6	H13 A17 H18 K19	H13-T15 PolarHBondContact O-N 3.01Å; T15-A17 PolarHBondContact O-N 3.13Å; T15-H18 PolarHBondContact O-N 3.03Å; T15-H18 PolarHBondContact OG1-ND1 3.11Å; T15-H18 VanDerWaalsContact OG1-ND1 3.09Å; T15-K19 PolarHBondContact O-N 3.23Å
16	P	61.6	Low	58.5	Low	103 Å²	103	117.6 Å²	117.6	67%	0.669	62%	0.619	S	S	*	*	H	α-helix	trans	-51.8	-31	179.2	-27.6	34.4	0	0	0	113.8	K19 N20	P16-K19 PolarHBondContact O-N 3.49Å; P16-N20 WeakPolarHBondContact O-CB 3.31Å; P16-N20 PolarHBondContact O-N 3.44Å
17	A	61.2	Low	60.7	Low	56 Å²	56	111.4 Å²	111.4	46%	0.463	60%	0.604	S	S	.	*	H	α-helix	trans	-64.5	-45.3	174.9	0	0	0	0	0	113	T15 N20 N21	T15-A17 PolarHBondContact O-N 3.13Å; A17-N20 WeakPolarHBondContact O-CB 3.26Å; A17-N20 PolarHBondContact O-N 3.41Å; A17-N21 WeakPolarHBondContact O-CB 3.03Å; A17-N21 PolarHBondContact O-N 3Å; A17-N21 PolarHBondContact O-ND2 3.42Å
18	H	60.9	Low	63	Low	107 Å²	107	110.3 Å²	110.3	50%	0.495	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-38.4	176.3	-82.3	76.8	0	0	0	112	L14 T15 N20 N21 L22	L14-H18 HydrophobicContact CB-CB 4.48Å; L14-H18 HydrophobicContact CD2-CB 4.35Å; T15-H18 PolarHBondContact O-N 3.03Å; T15-H18 PolarHBondContact OG1-ND1 3.11Å; T15-H18 VanDerWaalsContact OG1-ND1 3.09Å; H18-N20 VanDerWaalsContact C-N 3.34Å; H18-N20 PolarHBondContact O-N 3.41Å; H18-N21 PolarHBondContact O-N 3.45Å; H18-L22 WeakPolarHBondContact O-CG 3.46Å; H18-L22 PolarHBondContact O-N 3.5Å; H18-L22 VanDerWaalsContact O-N 3.16Å
19	K	63.1	Low	65.6	Low	89 Å²	89	107.6 Å²	107.6	39%	0.387	56%	0.563	S	S	.	*	H	α-helix	trans	-64	-38.3	173.4	-67.1	174.6	177.4	159.7	0	112	L14 T15 P16 L22 R23	L14-K19 HydrophobicContact CB-CG 4.14Å; L14-K19 WeakPolarHBondContact O-CE 3.43Å; L14-K19 PolarHBondContact O-NZ 3.28Å; L14-K19 VanDerWaalsContact O-NZ 3.16Å; T15-K19 PolarHBondContact O-N 3.23Å; P16-K19 PolarHBondContact O-N 3.49Å; K19-L22 PolarHBondContact O-N 3.27Å; K19-R23 WeakPolarHBondContact O-CB 3.3Å; K19-R23 VanDerWaalsContact O-CG 3.24Å; K19-R23 WeakPolarHBondContact O-CG 3.46Å; K19-R23 PolarHBondContact O-N 3.03Å
20	N	61.9	Low	67.8	Low	75 Å²	75	108 Å²	108	40%	0.401	55%	0.55	S	S	.	*	H	α-helix	trans	-68.3	-39.9	175.4	-166.5	25.4	0	0	0	112.1	P16 A17 H18 L22 R23 K24	P16-N20 WeakPolarHBondContact O-CB 3.31Å; P16-N20 PolarHBondContact O-N 3.44Å; A17-N20 WeakPolarHBondContact O-CB 3.26Å; A17-N20 PolarHBondContact O-N 3.41Å; H18-N20 VanDerWaalsContact C-N 3.34Å; H18-N20 PolarHBondContact O-N 3.41Å; N20-L22 PolarHBondContact O-N 3.02Å; N20-R23 PolarHBondContact O-N 3.28Å; N20-K24 WeakPolarHBondContact O-CG 3.4Å; N20-K24 PolarHBondContact O-N 2.98Å; N20-K24 VanDerWaalsContact O-N 3.07Å; N20-K24 WeakPolarHBondContact OD1-CE 3.39Å
21	N	61.6	Low	70.4	Confident	99 Å²	99	106.9 Å²	106.9	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-22.9	176.6	-71.3	-25	0	0	0	113.5	A17 H18 P25	A17-N21 WeakPolarHBondContact O-CB 3.03Å; A17-N21 PolarHBondContact O-N 3Å; A17-N21 PolarHBondContact O-ND2 3.42Å; H18-N21 PolarHBondContact O-N 3.45Å; N21-P25 WeakPolarHBondContact O-CD 3.26Å; N21-P25 WeakPolarHBondContact O-CG 3.32Å
22	L	62.5	Low	72.9	Confident	113 Å²	113	104.4 Å²	104.4	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-93	-29.6	174.3	-66.1	169.8	0	0	0	113.2	H18 K19 N20 P25	H18-L22 WeakPolarHBondContact O-CG 3.46Å; H18-L22 PolarHBondContact O-N 3.5Å; H18-L22 VanDerWaalsContact O-N 3.16Å; K19-L22 PolarHBondContact O-N 3.27Å; N20-L22 PolarHBondContact O-N 3.02Å; L22-P25 WeakPolarHBondContact O-CD 3.4Å; L22-P25 VanDerWaalsContact O-CG 3.28Å; L22-P25 WeakPolarHBondContact O-CG 3.4Å
23	R	70.7	Confident	75.1	Confident	163 Å²	163	100.8 Å²	100.8	62%	0.615	50%	0.501	S	S	*	.	H	α-helix	trans	-72.3	-41.6	177.1	-76.6	173.3	178.8	-174.3	-1.6	112.7	K19 N20 M26 V27	K19-R23 WeakPolarHBondContact O-CB 3.3Å; K19-R23 VanDerWaalsContact O-CG 3.24Å; K19-R23 WeakPolarHBondContact O-CG 3.46Å; K19-R23 PolarHBondContact O-N 3.03Å; N20-R23 PolarHBondContact O-N 3.28Å; R23-M26 PolarHBondContact O-N 3.08Å; R23-V27 WeakPolarHBondContact O-CG2 3.38Å; R23-V27 PolarHBondContact O-N 2.96Å
24	K	73.3	Confident	77.4	Confident	128 Å²	128	100.7 Å²	100.7	56%	0.557	49%	0.494	S	S	*	.	H	α-helix	trans	-55.3	-50.5	176.9	-73.1	174.8	174.5	-175.1	0	113.5	N20 M26 V27 E28	N20-K24 WeakPolarHBondContact O-CG 3.4Å; N20-K24 PolarHBondContact O-N 2.98Å; N20-K24 VanDerWaalsContact O-N 3.07Å; N20-K24 WeakPolarHBondContact OD1-CE 3.39Å; K24-M26 VanDerWaalsContact C-N 3.29Å; K24-M26 PolarHBondContact O-N 3.33Å; K24-V27 PolarHBondContact O-N 3.44Å; K24-E28 PolarHBondContact O-N 3.45Å
25	P	85.1	Confident	79.3	Confident	74 Å²	74	100.3 Å²	100.3	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-66.2	-31.1	177.6	24.1	-33.3	0	0	0	112.5	N21 L22 K29	N21-P25 WeakPolarHBondContact O-CD 3.26Å; N21-P25 WeakPolarHBondContact O-CG 3.32Å; L22-P25 WeakPolarHBondContact O-CD 3.4Å; L22-P25 VanDerWaalsContact O-CG 3.28Å; L22-P25 WeakPolarHBondContact O-CG 3.4Å; P25-K29 WeakPolarHBondContact O-CB 3.4Å; P25-K29 PolarHBondContact O-N 3.33Å
26	M	87.4	Confident	81.3	Confident	116 Å²	116	100 Å²	100	57%	0.571	49%	0.488	S	S	*	.	H	α-helix	trans	-67.9	-45	175.1	-173.6	175.8	69.9	0	0	112.3	R23 K24 K29 L30	R23-M26 PolarHBondContact O-N 3.08Å; K24-M26 VanDerWaalsContact C-N 3.29Å; K24-M26 PolarHBondContact O-N 3.33Å; M26-K29 WeakPolarHBondContact O-CB 3.35Å; M26-K29 PolarHBondContact O-N 3.04Å; M26-L30 WeakPolarHBondContact O-CG 3.41Å; M26-L30 PolarHBondContact O-N 3.04Å
27	V	90.6	Very high	83	Confident	91 Å²	91	99 Å²	99	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-64	-42.5	177.1	172.3	0	0	0	0	110.9	R23 K24 K29 L30 R31	R23-V27 WeakPolarHBondContact O-CG2 3.38Å; R23-V27 PolarHBondContact O-N 2.96Å; K24-V27 PolarHBondContact O-N 3.44Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.4Å; V27-L30 PolarHBondContact O-N 3.06Å; V27-R31 PolarHBondContact O-N 3.11Å
28	E	92.7	Very high	84.8	Confident	56 Å²	56	99 Å²	99	26%	0.262	48%	0.476	S	S	.	.	H	α-helix	trans	-65.2	-37.5	176.9	176.6	55.5	-165.5	0	0	111.9	K24 R31 R32	K24-E28 PolarHBondContact O-N 3.45Å; E28-R31 PolarHBondContact O-N 3.36Å; E28-R31 IonicContact OE1-CZ 3.63Å; E28-R31 IonicContact OE1-NE 3.56Å; E28-R31 IonicContact OE1-NH2 2.82Å; E28-R31 PolarHBondContact OE1-NH2 3.37Å; E28-R31 IonicContact OE2-CZ 3.56Å; E28-R31 IonicContact OE2-NE 2.76Å; E28-R31 PolarHBondContact OE2-NE 3.32Å; E28-R31 IonicContact OE2-NH2 3.5Å; E28-R31 PolarHBondContact OE2-NH2 2.95Å; E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 3.38Å; E28-R32 WeakPolarHBondContact OE1-CG 3.36Å; E28-R32 IonicContact OE1-CZ 3.49Å; E28-R32 IonicContact OE1-NE 2.78Å; E28-R32 PolarHBondContact OE1-NE 3.41Å; E28-R32 IonicContact OE1-NH2 3.36Å; E28-R32 PolarHBondContact OE1-NH2 3.2Å
29	K	94.1	Very high	86.5	Confident	134 Å²	134	94.9 Å²	94.9	58%	0.583	46%	0.458	S	S	*	.	H	α-helix	trans	-58.5	-50.8	171.8	-175.5	-179.4	177.9	-177.4	0	111.1	P25 M26 V27 R31 R32 D33	P25-K29 WeakPolarHBondContact O-CB 3.4Å; P25-K29 PolarHBondContact O-N 3.33Å; M26-K29 WeakPolarHBondContact O-CB 3.35Å; M26-K29 PolarHBondContact O-N 3.04Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.4Å; K29-R31 VanDerWaalsContact C-N 3.27Å; K29-R31 PolarHBondContact O-N 2.7Å; K29-R32 PolarHBondContact O-N 3.47Å; K29-R32 VanDerWaalsContact O-N 3.13Å; K29-D33 WeakPolarHBondContact O-CB 3.49Å; K29-D33 PolarHBondContact O-N 3.34Å
30	L	94.9	Very high	88.1	Confident	110 Å²	110	96.4 Å²	96.4	58%	0.576	47%	0.466	S	S	*	.	H	α-helix	trans	-59.2	-38	177.3	-70	173.1	0	0	0	112.5	M26 V27 R34	M26-L30 WeakPolarHBondContact O-CG 3.41Å; M26-L30 PolarHBondContact O-N 3.04Å; V27-L30 PolarHBondContact O-N 3.06Å; L30-R34 WeakPolarHBondContact O-CB 3.47Å; L30-R34 PolarHBondContact O-N 3.49Å
31	R	97.2	Very high	89.8	Confident	77 Å²	77	98.5 Å²	98.5	29%	0.291	47%	0.474	S	S	.	.	H	α-helix	trans	-63.7	-46.2	175.7	-167.5	-168.3	71.6	89	5.3	111.2	V27 E28 K29 R34 I35	V27-R31 PolarHBondContact O-N 3.11Å; E28-R31 PolarHBondContact O-N 3.36Å; E28-R31 IonicContact OE1-CZ 3.63Å; E28-R31 IonicContact OE1-NE 3.56Å; E28-R31 IonicContact OE1-NH2 2.82Å; E28-R31 PolarHBondContact OE1-NH2 3.37Å; E28-R31 IonicContact OE2-CZ 3.56Å; E28-R31 IonicContact OE2-NE 2.76Å; E28-R31 PolarHBondContact OE2-NE 3.32Å; E28-R31 IonicContact OE2-NH2 3.5Å; E28-R31 PolarHBondContact OE2-NH2 2.95Å; K29-R31 VanDerWaalsContact C-N 3.27Å; K29-R31 PolarHBondContact O-N 2.7Å; R31-R34 PolarHBondContact O-N 3.06Å; R31-I35 HydrophobicContact CG-CD1 4.32Å; R31-I35 WeakPolarHBondContact O-CG1 3.3Å; R31-I35 PolarHBondContact O-N 3.29Å
32	R	97.6	Very high	91.6	Very high	148 Å²	148	96.1 Å²	96.1	56%	0.558	46%	0.461	S	S	*	.	H	α-helix	trans	-63.3	-43.5	177.6	-72.9	180	-176.8	-124.3	-1	111.8	E28 K29 R34 I35 N36	E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 3.38Å; E28-R32 WeakPolarHBondContact OE1-CG 3.36Å; E28-R32 IonicContact OE1-CZ 3.49Å; E28-R32 IonicContact OE1-NE 2.78Å; E28-R32 PolarHBondContact OE1-NE 3.41Å; E28-R32 IonicContact OE1-NH2 3.36Å; E28-R32 PolarHBondContact OE1-NH2 3.2Å; K29-R32 PolarHBondContact O-N 3.47Å; K29-R32 VanDerWaalsContact O-N 3.13Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 2.97Å; R32-I35 PolarHBondContact O-N 2.94Å; R32-N36 VanDerWaalsContact O-CG 3.29Å; R32-N36 PolarHBondContact O-N 2.95Å; R32-N36 PolarHBondContact O-ND2 2.65Å
33	D	97.6	Very high	93.1	Very high	73 Å²	73	94 Å²	94	39%	0.39	45%	0.447	S	S	.	.	H	α-helix	trans	-60.5	-46.4	177.3	-67.1	-17.4	0	0	0	110.2	K29 I35 N36 T37	K29-D33 WeakPolarHBondContact O-CB 3.49Å; K29-D33 PolarHBondContact O-N 3.34Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 3.41Å; D33-N36 PolarHBondContact O-N 3.23Å; D33-T37 PolarHBondContact O-N 2.91Å; D33-T37 PolarHBondContact O-OG1 3.03Å; D33-T37 VanDerWaalsContact O-OG1 3.06Å
34	R	98.1	Very high	94.3	Very high	165 Å²	165	90.8 Å²	90.8	62%	0.623	45%	0.449	S	S	*	.	H	α-helix	trans	-58	-44.4	175	-170.2	-179.1	74.3	-148.8	4.2	112.6	L30 R31 R32 T37 S38	L30-R34 WeakPolarHBondContact O-CB 3.47Å; L30-R34 PolarHBondContact O-N 3.49Å; R31-R34 PolarHBondContact O-N 3.06Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 2.97Å; R34-T37 PolarHBondContact O-N 3.19Å; R34-S38 PolarHBondContact O-N 2.96Å; R34-S38 PolarHBondContact O-OG 3.03Å
35	I	97.5	Very high	95.4	Very high	60 Å²	60	91.1 Å²	91.1	31%	0.308	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-46.5	178.2	-72.3	167.8	0	0	0	110.6	R31 R32 D33 T37 S38 I39	R31-I35 HydrophobicContact CG-CD1 4.32Å; R31-I35 WeakPolarHBondContact O-CG1 3.3Å; R31-I35 PolarHBondContact O-N 3.29Å; R32-I35 PolarHBondContact O-N 2.94Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 3.41Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.44Å; I35-S38 WeakPolarHBondContact CA-OG 3.43Å; I35-S38 PolarHBondContact O-N 2.89Å; I35-S38 PolarHBondContact O-OG 2.97Å; I35-I39 HydrophobicContact CG2-CD1 3.81Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 2.91Å
36	N	97.8	Very high	95.9	Very high	64 Å²	64	88 Å²	88	34%	0.342	44%	0.435	S	S	.	.	H	α-helix	trans	-61.2	-43.6	178.6	-69.5	-29.4	0	0	0	111.6	R32 D33 S38 I39 E40 K61	R32-N36 VanDerWaalsContact O-CG 3.29Å; R32-N36 PolarHBondContact O-N 2.95Å; R32-N36 PolarHBondContact O-ND2 2.65Å; D33-N36 PolarHBondContact O-N 3.23Å; N36-S38 VanDerWaalsContact C-N 3.32Å; N36-S38 PolarHBondContact O-N 3.42Å; N36-I39 PolarHBondContact O-N 3.26Å; N36-E40 PolarHBondContact O-N 3.24Å; N36-K61 PolarHBondContact OD1-NZ 2.76Å
37	T	98	Very high	96.2	Very high	80 Å²	80	83.9 Å²	83.9	49%	0.491	42%	0.423	S	S	.	.	H	α-helix	trans	-58.7	-44.2	174.4	-58.3	0	0	0	0	111.6	D33 R34 I35 I39 E40 Q41	D33-T37 PolarHBondContact O-N 2.91Å; D33-T37 PolarHBondContact O-OG1 3.03Å; D33-T37 VanDerWaalsContact O-OG1 3.06Å; R34-T37 PolarHBondContact O-N 3.19Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.44Å; T37-I39 VanDerWaalsContact C-N 3.32Å; T37-I39 PolarHBondContact O-N 3.46Å; T37-E40 PolarHBondContact O-N 3.01Å; T37-Q41 WeakPolarHBondContact O-CG 3.48Å; T37-Q41 PolarHBondContact O-N 2.8Å
38	S	98	Very high	96.3	Very high	57 Å²	57	83.7 Å²	83.7	40%	0.399	42%	0.423	S	S	.	.	H	α-helix	trans	-65.6	-33.6	178.5	63.7	0	0	0	0	113.4	R34 I35 N36 Q41 L42	R34-S38 PolarHBondContact O-N 2.96Å; R34-S38 PolarHBondContact O-OG 3.03Å; I35-S38 WeakPolarHBondContact CA-OG 3.43Å; I35-S38 PolarHBondContact O-N 2.89Å; I35-S38 PolarHBondContact O-OG 2.97Å; N36-S38 VanDerWaalsContact C-N 3.32Å; N36-S38 PolarHBondContact O-N 3.42Å; S38-Q41 PolarHBondContact O-N 3.03Å; S38-L42 WeakPolarHBondContact O-CB 3.48Å; S38-L42 PolarHBondContact O-N 2.99Å
39	I	97.6	Very high	96.3	Very high	20 Å²	20	83.7 Å²	83.7	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-69.5	-41	176.2	-67.5	167.3	0	0	0	110.7	I35 N36 T37 L42 K43 K61 I64	I35-I39 HydrophobicContact CG2-CD1 3.81Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 2.91Å; N36-I39 PolarHBondContact O-N 3.26Å; T37-I39 VanDerWaalsContact C-N 3.32Å; T37-I39 PolarHBondContact O-N 3.46Å; I39-L42 WeakPolarHBondContact O-CB 3.4Å; I39-L42 PolarHBondContact O-N 3.23Å; I39-K43 PolarHBondContact O-N 3.45Å; I39-K61 HydrophobicContact CD1-CD 4.3Å; I39-K61 HydrophobicContact CG2-CG 4.32Å; I39-I64 HydrophobicContact CG2-CD1 4.01Å; I39-I64 HydrophobicContact CG2-CG2 4.19Å
40	E	96.9	Very high	96.3	Very high	121 Å²	121	78 Å²	78	57%	0.565	40%	0.399	S	S	*	.	H	α-helix	trans	-64	-41.1	174.5	-74.8	-70.5	132	0	0	111.9	N36 T37 L42 K43 S44	N36-E40 PolarHBondContact O-N 3.24Å; T37-E40 PolarHBondContact O-N 3.01Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.06Å; E40-K43 WeakPolarHBondContact O-CB 3.43Å; E40-K43 PolarHBondContact O-N 3.41Å; E40-S44 PolarHBondContact O-N 3.24Å; E40-S44 VanDerWaalsContact O-N 3.09Å
41	Q	97.8	Very high	96.1	Very high	120 Å²	120	78.3 Å²	78.3	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-60.4	-44.6	173	-73.2	174.6	-35.3	0	0	111.6	T37 S38 K43 S44 L45	T37-Q41 WeakPolarHBondContact O-CG 3.48Å; T37-Q41 PolarHBondContact O-N 2.8Å; S38-Q41 PolarHBondContact O-N 3.03Å; Q41-K43 VanDerWaalsContact C-N 3.33Å; Q41-K43 PolarHBondContact O-N 3.47Å; Q41-S44 WeakPolarHBondContact O-CB 3.46Å; Q41-S44 PolarHBondContact O-N 3Å; Q41-L45 WeakPolarHBondContact O-CG 3.28Å; Q41-L45 PolarHBondContact O-N 2.96Å
42	L	97.4	Very high	95.6	Very high	49 Å²	49	84.2 Å²	84.2	26%	0.257	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-42.2	177.7	-176.4	58.6	0	0	0	111.8	S38 I39 E40 S44 L45 L46 I64 L65 A68	S38-L42 WeakPolarHBondContact O-CB 3.48Å; S38-L42 PolarHBondContact O-N 2.99Å; I39-L42 WeakPolarHBondContact O-CB 3.4Å; I39-L42 PolarHBondContact O-N 3.23Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.06Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.5Å; L42-L45 PolarHBondContact O-N 3.05Å; L42-L46 HydrophobicContact CD1-CD1 3.83Å; L42-L46 HydrophobicContact CD1-CG 4.24Å; L42-L46 HydrophobicContact CG-CD1 3.88Å; L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 WeakPolarHBondContact O-CG 3.49Å; L42-L46 PolarHBondContact O-N 3.21Å; L42-I64 HydrophobicContact CB-CG2 4.28Å; L42-I64 HydrophobicContact CD2-CG2 4.08Å; L42-I64 HydrophobicContact CG-CG2 4.03Å; L42-L65 HydrophobicContact CD2-CD2 4.22Å; L42-A68 HydrophobicContact CD1-CB 3.97Å; L42-A68 HydrophobicContact CD2-CB 3.75Å; L42-A68 HydrophobicContact CG-CB 4.14Å
43	K	95.8	Very high	95.1	Very high	68 Å²	68	82.1 Å²	82.1	30%	0.296	42%	0.419	S	S	.	.	H	α-helix	trans	-57.9	-44	174.4	-174.6	-175.9	-179.9	171.3	0	112.2	I39 E40 Q41 L46 G47 F50 I64	I39-K43 PolarHBondContact O-N 3.45Å; E40-K43 WeakPolarHBondContact O-CB 3.43Å; E40-K43 PolarHBondContact O-N 3.41Å; Q41-K43 VanDerWaalsContact C-N 3.33Å; Q41-K43 PolarHBondContact O-N 3.47Å; K43-L46 PolarHBondContact O-N 3.15Å; K43-G47 PolarHBondContact O-N 2.9Å; K43-G47 VanDerWaalsContact O-N 3.15Å; K43-F50 HydrophobicContact CG-CE2 4.34Å; K43-I64 HydrophobicContact CB-CD1 3.95Å; K43-I64 HydrophobicContact CB-CG1 4.19Å; K43-I64 HydrophobicContact CB-CG2 4.28Å; K43-I64 HydrophobicContact CD-CD1 3.89Å; K43-I64 HydrophobicContact CD-CG1 4.5Å; K43-I64 HydrophobicContact CG-CD1 4.04Å; K43-I64 HydrophobicContact CG-CG1 4.19Å
44	S	95.6	Very high	94.5	Very high	95 Å²	95	83.7 Å²	83.7	66%	0.664	42%	0.424	S	S	*	.	H	α-helix	trans	-62.9	-45.3	177.7	-177.4	0	0	0	0	112	E40 Q41 L42 L46 G47	E40-S44 PolarHBondContact O-N 3.24Å; E40-S44 VanDerWaalsContact O-N 3.09Å; Q41-S44 WeakPolarHBondContact O-CB 3.46Å; Q41-S44 PolarHBondContact O-N 3Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.5Å; S44-L46 VanDerWaalsContact C-N 3.3Å; S44-L46 PolarHBondContact O-N 3.41Å; S44-G47 PolarHBondContact O-N 3.3Å; S44-G47 VanDerWaalsContact O-N 3.17Å
45	L	96.3	Very high	93.7	Very high	136 Å²	136	79.7 Å²	79.7	71%	0.712	42%	0.419	S	S	*	.	H	α-helix	trans	-62.8	-35.6	178.3	-69.4	171.5	0	0	0	112.8	Q41 L42 G47	Q41-L45 WeakPolarHBondContact O-CG 3.28Å; Q41-L45 PolarHBondContact O-N 2.96Å; L42-L45 PolarHBondContact O-N 3.05Å; L45-G47 VanDerWaalsContact C-N 3.32Å
46	L	95.6	Very high	92.8	Very high	7 Å²	7	84.7 Å²	84.7	4%	0.037	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	6.4	179.1	-64.7	170.7	0	0	0	113.4	L42 K43 S44 P48 E49 F50 M67 A68 Y71	L42-L46 HydrophobicContact CD1-CD1 3.83Å; L42-L46 HydrophobicContact CD1-CG 4.24Å; L42-L46 HydrophobicContact CG-CD1 3.88Å; L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 WeakPolarHBondContact O-CG 3.49Å; L42-L46 PolarHBondContact O-N 3.21Å; K43-L46 PolarHBondContact O-N 3.15Å; S44-L46 VanDerWaalsContact C-N 3.3Å; S44-L46 PolarHBondContact O-N 3.41Å; L46-P48 VanDerWaalsContact C-CD 3.46Å; L46-P48 VanDerWaalsContact C-N 3.34Å; L46-E49 WeakPolarHBondContact O-CB 3.4Å; L46-E49 PolarHBondContact O-N 3.36Å; L46-E49 VanDerWaalsContact O-N 3.09Å; L46-F50 HydrophobicContact CB-CD2 3.99Å; L46-F50 HydrophobicContact CB-CE2 3.49Å; L46-F50 VanDerWaalsContact CB-CE2 3.49Å; L46-F50 HydrophobicContact CB-CZ 4.17Å; L46-F50 HydrophobicContact CD1-CE2 4.39Å; L46-F50 HydrophobicContact CD1-CZ 4.4Å; L46-F50 WeakPolarHBondContact O-CD2 3.49Å; L46-F50 PolarHBondContact O-N 3.43Å; L46-M67 HydrophobicContact CB-CG 4.33Å; L46-M67 HydrophobicContact CD1-CB 4.2Å; L46-M67 HydrophobicContact CD1-CG 4.06Å; L46-M67 HydrophobicContact CD2-CG 4.41Å; L46-A68 HydrophobicContact CD1-CB 3.71Å; L46-Y71 HydrophobicContact CD2-CD1 4.26Å; L46-Y71 HydrophobicContact CD2-CD2 4.24Å; L46-Y71 HydrophobicContact CD2-CG 3.86Å
47	G	93.8	Very high	92.3	Very high	30 Å²	30	83.9 Å²	83.9	31%	0.309	45%	0.446	S	S	.	.	H	α-helix	trans	-48.5	-47.1	-179.1	0	0	0	0	0	114.4	K43 S44 L45 E49 F50 L51	K43-G47 PolarHBondContact O-N 2.9Å; K43-G47 VanDerWaalsContact O-N 3.15Å; S44-G47 PolarHBondContact O-N 3.3Å; S44-G47 VanDerWaalsContact O-N 3.17Å; L45-G47 VanDerWaalsContact C-N 3.32Å; G47-E49 PolarHBondContact O-N 2.85Å; G47-F50 PolarHBondContact O-N 2.96Å; G47-L51 PolarHBondContact O-N 3.35Å
48	P	93.2	Very high	91.8	Very high	87 Å²	87	89 Å²	89	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-60.4	-43.4	177.3	-24.4	35.3	0	0	0	113.2	L46 F50 L51 R52	L46-P48 VanDerWaalsContact C-CD 3.46Å; L46-P48 VanDerWaalsContact C-N 3.34Å; P48-F50 PolarHBondContact O-N 3.48Å; P48-L51 PolarHBondContact O-N 3.43Å; P48-R52 PolarHBondContact O-N 3.48Å
49	E	92.8	Very high	91.4	Very high	57 Å²	57	87.2 Å²	87.2	27%	0.266	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-40.7	176.6	-91.7	62.5	-151.4	0	0	112.5	L46 G47 R52 Q53 M67 Y71	L46-E49 WeakPolarHBondContact O-CB 3.4Å; L46-E49 PolarHBondContact O-N 3.36Å; L46-E49 VanDerWaalsContact O-N 3.09Å; G47-E49 PolarHBondContact O-N 2.85Å; E49-R52 PolarHBondContact O-N 3.37Å; E49-Q53 PolarHBondContact O-N 2.8Å; E49-Q53 VanDerWaalsContact O-N 3.1Å; E49-M67 HydrophobicContact CB-CG 4.2Å; E49-M67 HydrophobicContact CB-SD 3.8Å; E49-M67 HydrophobicContact CG-SD 4.36Å; E49-Y71 HydrophobicContact CG-CD2 3.87Å; E49-Y71 HydrophobicContact CG-CE2 4.46Å
50	F	92.6	Very high	91.3	Very high	14 Å²	14	92.8 Å²	92.8	6%	0.061	47%	0.473	C	S	.	.	H	α-helix	trans	-64.5	-44.3	174.8	-70.2	-58.4	0	0	0	112	K43 L46 G47 P48 R52 Q53 Q54 Q59 I64 M67	K43-F50 HydrophobicContact CG-CE2 4.34Å; L46-F50 HydrophobicContact CB-CD2 3.99Å; L46-F50 HydrophobicContact CB-CE2 3.49Å; L46-F50 VanDerWaalsContact CB-CE2 3.49Å; L46-F50 HydrophobicContact CB-CZ 4.17Å; L46-F50 HydrophobicContact CD1-CE2 4.39Å; L46-F50 HydrophobicContact CD1-CZ 4.4Å; L46-F50 WeakPolarHBondContact O-CD2 3.49Å; L46-F50 PolarHBondContact O-N 3.43Å; G47-F50 PolarHBondContact O-N 2.96Å; P48-F50 PolarHBondContact O-N 3.48Å; F50-R52 PolarHBondContact O-N 2.87Å; F50-Q53 PolarHBondContact O-N 3.04Å; F50-Q54 CarbonylContact O-C 3.2Å; F50-Q54 PolarHBondContact O-N 2.68Å; F50-Q59 HydrophobicContact CB-CG 4.46Å; F50-Q59 HydrophobicContact CD1-CG 3.61Å; F50-Q59 HydrophobicContact CD2-CG 4.17Å; F50-Q59 HydrophobicContact CE1-CB 4.45Å; F50-Q59 VanDerWaalsContact CE1-CD 3.42Å; F50-Q59 HydrophobicContact CE1-CG 3.83Å; F50-Q59 HydrophobicContact CE2-CG 4.36Å; F50-Q59 HydrophobicContact CG-CG 3.83Å; F50-Q59 HydrophobicContact CZ-CG 4.24Å; F50-I64 HydrophobicContact CZ-CG1 4.21Å; F50-M67 HydrophobicContact CD1-CE 3.65Å; F50-M67 HydrophobicContact CD1-CG 4.24Å; F50-M67 HydrophobicContact CE1-CB 3.52Å; F50-M67 HydrophobicContact CE1-CE 3.68Å; F50-M67 HydrophobicContact CE1-CG 3.64Å; F50-M67 HydrophobicContact CE2-CG 4.38Å; F50-M67 HydrophobicContact CZ-CB 3.56Å; F50-M67 HydrophobicContact CZ-CG 3.68Å
51	L	90.2	Very high	91.2	Very high	116 Å²	116	92.3 Å²	92.3	61%	0.607	47%	0.469	S	S	*	.	H	α-helix	trans	-60.5	-34.4	176.9	-171.4	68.3	0	0	0	111.4	G47 P48 P55	G47-L51 PolarHBondContact O-N 3.35Å; P48-L51 PolarHBondContact O-N 3.43Å; L51-P55 HydrophobicContact CD1-CB 3.94Å; L51-P55 VanDerWaalsContact O-CG 3.32Å; L51-P55 WeakPolarHBondContact O-CG 3.43Å
52	R	88.5	Confident	91.1	Very high	201 Å²	201	89.6 Å²	89.6	76%	0.758	47%	0.467	S	S	*	.	H	α-helix	trans	-73.8	-31.6	179.7	-146.7	-173.8	76.7	80.4	1.8	113.4	P48 E49 F50	P48-R52 PolarHBondContact O-N 3.48Å; E49-R52 PolarHBondContact O-N 3.37Å; F50-R52 PolarHBondContact O-N 2.87Å
53	Q	86.4	Confident	91	Very high	105 Å²	105	89.8 Å²	89.8	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-95.7	-48.1	-177.3	-66.5	-168.8	17.2	0	0	112.9	E49 F50 M67	E49-Q53 PolarHBondContact O-N 2.8Å; E49-Q53 VanDerWaalsContact O-N 3.1Å; F50-Q53 PolarHBondContact O-N 3.04Å; Q53-M67 HydrophobicContact CB-CE 4.25Å; Q53-M67 HydrophobicContact CG-CE 4.08Å; Q53-M67 PolarHBondContact NE2-SD 3.07Å; Q53-M67 VanDerWaalsContact NE2-SD 3.4Å
54	Q	84.3	Confident	91	Very high	105 Å²	105	86.7 Å²	86.7	49%	0.491	46%	0.455	S	S	.	.			trans	-147.8	83.7	-176.2	-65.8	-169.4	55	0	0	110.9	F50 D56 S57	F50-Q54 CarbonylContact O-C 3.2Å; F50-Q54 PolarHBondContact O-N 2.68Å; Q54-D56 VanDerWaalsContact C-N 3.3Å; Q54-D56 PolarHBondContact O-N 3.04Å; Q54-S57 PolarHBondContact O-N 3.23Å; Q54-S57 VanDerWaalsContact OE1-CB 3.29Å; Q54-S57 PolarHBondContact OE1-OG 2.91Å
55	P	81	Confident	91.1	Very high	81 Å²	81	86.4 Å²	86.4	53%	0.526	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-39.5	-175.9	-21.3	25.8	0	0	0	114.8	L51	L51-P55 HydrophobicContact CD1-CB 3.94Å; L51-P55 VanDerWaalsContact O-CG 3.32Å; L51-P55 WeakPolarHBondContact O-CG 3.43Å
56	D	79.4	Confident	91.1	Very high	165 Å²	165	86.7 Å²	86.7	88%	0.882	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	7.3	-169.6	-58.4	-50.8	0	0	0	113.2	Q54	Q54-D56 VanDerWaalsContact C-N 3.3Å; Q54-D56 PolarHBondContact O-N 3.04Å
57	S	86.3	Confident	91.1	Very high	48 Å²	48	87 Å²	87	34%	0.336	44%	0.444	S	S	.	.			trans	-90.6	132.9	-176.3	-171.1	0	0	0	0	112.2	Q54 Q59	Q54-S57 PolarHBondContact O-N 3.23Å; Q54-S57 VanDerWaalsContact OE1-CB 3.29Å; Q54-S57 PolarHBondContact OE1-OG 2.91Å; S57-Q59 PolarHBondContact O-N 3Å; S57-Q59 PolarHBondContact O-NE2 3.37Å; S57-Q59 VanDerWaalsContact O-NE2 3.15Å
58	K	89.3	Confident	91.3	Very high	186 Å²	186	86.1 Å²	86.1	81%	0.809	43%	0.434	S	S	*	.			trans	-73.7	107.6	172.8	-174.9	-176.4	178.7	-174.9	0	108.8	E60	K58-E60 PolarHBondContact O-N 2.92Å
59	Q	89.7	Confident	91.5	Very high	21 Å²	21	85.4 Å²	85.4	10%	0.098	43%	0.428	C	S	.	.			trans	-66.9	114.7	179.6	-53.4	-57.3	-41	0	0	111.3	F50 S57 I64	F50-Q59 HydrophobicContact CB-CG 4.46Å; F50-Q59 HydrophobicContact CD1-CG 3.61Å; F50-Q59 HydrophobicContact CD2-CG 4.17Å; F50-Q59 HydrophobicContact CE1-CB 4.45Å; F50-Q59 VanDerWaalsContact CE1-CD 3.42Å; F50-Q59 HydrophobicContact CE1-CG 3.83Å; F50-Q59 HydrophobicContact CE2-CG 4.36Å; F50-Q59 HydrophobicContact CG-CG 3.83Å; F50-Q59 HydrophobicContact CZ-CG 4.24Å; S57-Q59 PolarHBondContact O-N 3Å; S57-Q59 PolarHBondContact O-NE2 3.37Å; S57-Q59 VanDerWaalsContact O-NE2 3.15Å; Q59-I64 HydrophobicContact CB-CD1 4.4Å; Q59-I64 HydrophobicContact CB-CG1 3.95Å
60	E	94.5	Very high	91.6	Very high	137 Å²	137	85.2 Å²	85.2	64%	0.64	43%	0.433	S	S	*	.			trans	-76.1	167.9	168.8	-57.5	-162.5	139.4	0	0	110.7	K58 A62 D63 I64	K58-E60 PolarHBondContact O-N 2.92Å; E60-A62 PolarHBondContact O-N 3.33Å; E60-D63 WeakPolarHBondContact CB-OD2 3.42Å; E60-D63 PolarHBondContact N-OD2 3.04Å; E60-D63 PolarHBondContact O-N 3.46Å; E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.41Å; E60-I64 PolarHBondContact O-N 3.43Å
61	K	95.1	Very high	91.7	Very high	111 Å²	111	89.1 Å²	89.1	48%	0.483	45%	0.448	S	S	.	.	H	α-helix	trans	-62.2	-33.3	179.3	-70.8	-171.1	172.5	-177.5	0	112.7	N36 I39 L65	N36-K61 PolarHBondContact OD1-NZ 2.76Å; I39-K61 HydrophobicContact CD1-CD 4.3Å; I39-K61 HydrophobicContact CG2-CG 4.32Å; K61-L65 VanDerWaalsContact O-CG 3.32Å; K61-L65 WeakPolarHBondContact O-CG 3.25Å; K61-L65 PolarHBondContact O-N 2.99Å
62	A	96.3	Very high	91.9	Very high	62 Å²	62	88.5 Å²	88.5	51%	0.512	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-49.4	176.4	0	0	0	0	0	110.5	E60 I64 L65 E66	E60-A62 PolarHBondContact O-N 3.33Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.41Å; A62-L65 PolarHBondContact O-N 3.2Å; A62-L65 VanDerWaalsContact O-N 3.09Å; A62-E66 PolarHBondContact O-N 3.31Å
63	D	94.6	Very high	92.1	Very high	53 Å²	53	86.8 Å²	86.8	28%	0.283	44%	0.438	S	S	.	.	H	α-helix	trans	-57	-41.4	177.6	-49.1	-36.2	0	0	0	111.9	E60 L65 E66 M67	E60-D63 WeakPolarHBondContact CB-OD2 3.42Å; E60-D63 PolarHBondContact N-OD2 3.04Å; E60-D63 PolarHBondContact O-N 3.46Å; D63-L65 VanDerWaalsContact C-N 3.33Å; D63-L65 PolarHBondContact O-N 2.94Å; D63-E66 PolarHBondContact O-N 2.82Å; D63-M67 VanDerWaalsContact O-CB 3.29Å; D63-M67 WeakPolarHBondContact O-CB 3.25Å; D63-M67 PolarHBondContact O-N 3.42Å
64	I	96.3	Very high	92.3	Very high	4 Å²	4	84.4 Å²	84.4	2%	0.021	43%	0.433	C	S	.	.	H	α-helix	trans	-59.6	-45.6	177.7	-64.3	160.6	0	0	0	111.5	I39 L42 K43 F50 Q59 E60 A62 A68	I39-I64 HydrophobicContact CG2-CD1 4.01Å; I39-I64 HydrophobicContact CG2-CG2 4.19Å; L42-I64 HydrophobicContact CB-CG2 4.28Å; L42-I64 HydrophobicContact CD2-CG2 4.08Å; L42-I64 HydrophobicContact CG-CG2 4.03Å; K43-I64 HydrophobicContact CB-CD1 3.95Å; K43-I64 HydrophobicContact CB-CG1 4.19Å; K43-I64 HydrophobicContact CB-CG2 4.28Å; K43-I64 HydrophobicContact CD-CD1 3.89Å; K43-I64 HydrophobicContact CD-CG1 4.5Å; K43-I64 HydrophobicContact CG-CD1 4.04Å; K43-I64 HydrophobicContact CG-CG1 4.19Å; F50-I64 HydrophobicContact CZ-CG1 4.21Å; Q59-I64 HydrophobicContact CB-CD1 4.4Å; Q59-I64 HydrophobicContact CB-CG1 3.95Å; E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.41Å; E60-I64 PolarHBondContact O-N 3.43Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.41Å; I64-A68 WeakPolarHBondContact O-CB 3.46Å; I64-A68 PolarHBondContact O-N 3.4Å; I64-A68 VanDerWaalsContact O-N 3.1Å
65	L	97.8	Very high	92.6	Very high	88 Å²	88	85.2 Å²	85.2	46%	0.461	43%	0.432	S	S	.	.	H	α-helix	trans	-71.9	-38.4	-179.3	-65.7	174	0	0	0	111.7	L42 K61 A62 D63 A68 V69	L42-L65 HydrophobicContact CD2-CD2 4.22Å; K61-L65 VanDerWaalsContact O-CG 3.32Å; K61-L65 WeakPolarHBondContact O-CG 3.25Å; K61-L65 PolarHBondContact O-N 2.99Å; A62-L65 PolarHBondContact O-N 3.2Å; A62-L65 VanDerWaalsContact O-N 3.09Å; D63-L65 VanDerWaalsContact C-N 3.33Å; D63-L65 PolarHBondContact O-N 2.94Å; L65-A68 WeakPolarHBondContact O-CB 3.42Å; L65-A68 PolarHBondContact O-N 3.1Å; L65-V69 WeakPolarHBondContact O-CG2 3.46Å; L65-V69 PolarHBondContact O-N 3.4Å
66	E	96	Very high	92.9	Very high	142 Å²	142	87.7 Å²	87.7	66%	0.664	44%	0.436	S	S	*	.	H	α-helix	trans	-64.6	-46.4	177	-175.8	167.4	-171.4	0	0	111.4	A62 D63 A68 V69 S70	A62-E66 PolarHBondContact O-N 3.31Å; D63-E66 PolarHBondContact O-N 2.82Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 3.13Å; E66-V69 PolarHBondContact O-N 3.07Å; E66-S70 PolarHBondContact O-N 3.41Å
67	M	96.1	Very high	93.2	Very high	14 Å²	14	85.9 Å²	85.9	7%	0.069	42%	0.423	C	S	.	.	H	α-helix	trans	-57.7	-43.7	174.5	-175.1	64.7	68.3	0	0	111.4	L46 E49 F50 Q53 D63 V69 S70 Y71	L46-M67 HydrophobicContact CB-CG 4.33Å; L46-M67 HydrophobicContact CD1-CB 4.2Å; L46-M67 HydrophobicContact CD1-CG 4.06Å; L46-M67 HydrophobicContact CD2-CG 4.41Å; E49-M67 HydrophobicContact CB-CG 4.2Å; E49-M67 HydrophobicContact CB-SD 3.8Å; E49-M67 HydrophobicContact CG-SD 4.36Å; F50-M67 HydrophobicContact CD1-CE 3.65Å; F50-M67 HydrophobicContact CD1-CG 4.24Å; F50-M67 HydrophobicContact CE1-CB 3.52Å; F50-M67 HydrophobicContact CE1-CE 3.68Å; F50-M67 HydrophobicContact CE1-CG 3.64Å; F50-M67 HydrophobicContact CE2-CG 4.38Å; F50-M67 HydrophobicContact CZ-CB 3.56Å; F50-M67 HydrophobicContact CZ-CG 3.68Å; Q53-M67 HydrophobicContact CB-CE 4.25Å; Q53-M67 HydrophobicContact CG-CE 4.08Å; Q53-M67 PolarHBondContact NE2-SD 3.07Å; Q53-M67 VanDerWaalsContact NE2-SD 3.4Å; D63-M67 VanDerWaalsContact O-CB 3.29Å; D63-M67 WeakPolarHBondContact O-CB 3.25Å; D63-M67 PolarHBondContact O-N 3.42Å; M67-V69 PolarHBondContact O-N 2.89Å; M67-S70 PolarHBondContact O-N 3.25Å; M67-Y71 VanDerWaalsContact O-CB 3.32Å; M67-Y71 WeakPolarHBondContact O-CB 3.46Å; M67-Y71 PolarHBondContact O-N 3.25Å
68	A	96.8	Very high	93	Very high	11 Å²	11	89.6 Å²	89.6	9%	0.091	44%	0.435	C	S	.	.	H	α-helix	trans	-60.4	-44.7	177.8	0	0	0	0	0	112.2	L42 L46 I64 L65 E66 Y71 L72	L42-A68 HydrophobicContact CD1-CB 3.97Å; L42-A68 HydrophobicContact CD2-CB 3.75Å; L42-A68 HydrophobicContact CG-CB 4.14Å; L46-A68 HydrophobicContact CD1-CB 3.71Å; I64-A68 WeakPolarHBondContact O-CB 3.46Å; I64-A68 PolarHBondContact O-N 3.4Å; I64-A68 VanDerWaalsContact O-N 3.1Å; L65-A68 WeakPolarHBondContact O-CB 3.42Å; L65-A68 PolarHBondContact O-N 3.1Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 3.13Å; A68-Y71 PolarHBondContact O-N 3.43Å; A68-L72 WeakPolarHBondContact O-CB 3.32Å; A68-L72 VanDerWaalsContact O-CG 3.3Å; A68-L72 WeakPolarHBondContact O-CG 3.38Å; A68-L72 PolarHBondContact O-N 3.31Å
69	V	96.9	Very high	92.5	Very high	72 Å²	72	84.4 Å²	84.4	44%	0.436	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-44.7	177.5	171.8	0	0	0	0	110.7	L65 E66 M67 L72 R73	L65-V69 WeakPolarHBondContact O-CG2 3.46Å; L65-V69 PolarHBondContact O-N 3.4Å; E66-V69 PolarHBondContact O-N 3.07Å; M67-V69 PolarHBondContact O-N 2.89Å; V69-L72 PolarHBondContact O-N 3.01Å; V69-R73 WeakPolarHBondContact O-CG 3.05Å; V69-R73 PolarHBondContact O-N 3.44Å
70	S	94.8	Very high	91.4	Very high	53 Å²	53	89.5 Å²	89.5	37%	0.371	44%	0.437	S	S	.	.	H	α-helix	trans	-59.2	-49.5	176.7	-174.3	0	0	0	0	110.9	E66 M67 L72 R73 S74	E66-S70 PolarHBondContact O-N 3.41Å; M67-S70 PolarHBondContact O-N 3.25Å; S70-L72 PolarHBondContact O-N 2.83Å; S70-R73 PolarHBondContact O-N 3.44Å; S70-S74 PolarHBondContact O-N 2.96Å; S70-S74 PolarHBondContact O-OG 2.83Å; S70-S74 VanDerWaalsContact O-OG 3.1Å
71	Y	94.8	Very high	89.8	Confident	97 Å²	97	90.5 Å²	90.5	38%	0.38	44%	0.444	S	S	.	.	H	α-helix	trans	-57	-48.4	178.5	179.7	-92.3	0	0	0	111.9	L46 E49 M67 A68 R73 S74 W75	L46-Y71 HydrophobicContact CD2-CD1 4.26Å; L46-Y71 HydrophobicContact CD2-CD2 4.24Å; L46-Y71 HydrophobicContact CD2-CG 3.86Å; E49-Y71 HydrophobicContact CG-CD2 3.87Å; E49-Y71 HydrophobicContact CG-CE2 4.46Å; M67-Y71 VanDerWaalsContact O-CB 3.32Å; M67-Y71 WeakPolarHBondContact O-CB 3.46Å; M67-Y71 PolarHBondContact O-N 3.25Å; A68-Y71 PolarHBondContact O-N 3.43Å; Y71-R73 PolarHBondContact O-N 3.42Å; Y71-S74 PolarHBondContact O-N 3.47Å; Y71-W75 WeakPolarHBondContact O-CB 3.36Å; Y71-W75 PolarHBondContact O-N 3.06Å
72	L	95.3	Very high	88.1	Confident	102 Å²	102	90.2 Å²	90.2	53%	0.534	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-38.2	179.8	-71.9	172.6	0	0	0	112.6	A68 V69 S70 W75 Q76	A68-L72 WeakPolarHBondContact O-CB 3.32Å; A68-L72 VanDerWaalsContact O-CG 3.3Å; A68-L72 WeakPolarHBondContact O-CG 3.38Å; A68-L72 PolarHBondContact O-N 3.31Å; V69-L72 PolarHBondContact O-N 3.01Å; S70-L72 PolarHBondContact O-N 2.83Å; L72-W75 PolarHBondContact O-N 2.79Å; L72-Q76 VanDerWaalsContact O-CB 3.32Å; L72-Q76 WeakPolarHBondContact O-CB 3.33Å; L72-Q76 PolarHBondContact O-N 3.1Å
73	R	93.4	Very high	86.3	Confident	165 Å²	165	90.4 Å²	90.4	62%	0.623	45%	0.449	S	S	*	.	H	α-helix	trans	-64.4	-45.8	175.2	-75.4	-179.6	179.8	179.9	2.5	111.4	V69 S70 Y71 Q76 Q77	V69-R73 WeakPolarHBondContact O-CG 3.05Å; V69-R73 PolarHBondContact O-N 3.44Å; S70-R73 PolarHBondContact O-N 3.44Å; Y71-R73 PolarHBondContact O-N 3.42Å; R73-Q76 PolarHBondContact O-N 2.97Å; R73-Q77 WeakPolarHBondContact O-CG 3.32Å; R73-Q77 PolarHBondContact O-N 2.87Å
74	S	90.6	Very high	84.7	Confident	56 Å²	56	89.4 Å²	89.4	39%	0.392	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176.3	-59.9	0	0	0	0	111.3	S70 Y71 Q77 Q78	S70-S74 PolarHBondContact O-N 2.96Å; S70-S74 PolarHBondContact O-OG 2.83Å; S70-S74 VanDerWaalsContact O-OG 3.1Å; Y71-S74 PolarHBondContact O-N 3.47Å; S74-Q77 PolarHBondContact O-N 3.27Å; S74-Q78 WeakPolarHBondContact O-CG 3.32Å; S74-Q78 PolarHBondContact O-N 3.09Å
75	W	90.6	Very high	83.1	Confident	122 Å²	122	94.6 Å²	94.6	46%	0.462	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-47.3	176.7	-179.7	83.6	0	0	0	111.6	Y71 L72 Q77 Q78 Q79	Y71-W75 WeakPolarHBondContact O-CB 3.36Å; Y71-W75 PolarHBondContact O-N 3.06Å; L72-W75 PolarHBondContact O-N 2.79Å; W75-Q77 VanDerWaalsContact C-N 3.32Å; W75-Q77 PolarHBondContact O-N 3.28Å; W75-Q78 PolarHBondContact O-N 2.87Å; W75-Q79 HydrophobicContact CD2-CG 3.78Å; W75-Q79 HydrophobicContact CE3-CG 4.05Å; W75-Q79 HydrophobicContact CG-CG 4.44Å; W75-Q79 HydrophobicContact CH2-CG 3.84Å; W75-Q79 HydrophobicContact CZ2-CG 3.55Å; W75-Q79 HydrophobicContact CZ3-CG 4.07Å; W75-Q79 WeakPolarHBondContact O-CG 3.33Å; W75-Q79 PolarHBondContact O-N 3.21Å
76	Q	87.3	Confident	81.5	Confident	132 Å²	132	96.7 Å²	96.7	62%	0.617	49%	0.494	S	S	*	.	H	α-helix	trans	-62.4	-39.4	178.5	-175.2	179.2	0.9	0	0	112	L72 R73 Q79 H80	L72-Q76 VanDerWaalsContact O-CB 3.32Å; L72-Q76 WeakPolarHBondContact O-CB 3.33Å; L72-Q76 PolarHBondContact O-N 3.1Å; R73-Q76 PolarHBondContact O-N 2.97Å; Q76-Q79 PolarHBondContact O-N 3.2Å; Q76-H80 WeakPolarHBondContact O-CB 3.45Å; Q76-H80 PolarHBondContact O-N 3.01Å
77	Q	85.1	Confident	80.6	Confident	128 Å²	128	93.3 Å²	93.3	60%	0.598	48%	0.483	S	S	*	.	H	α-helix	trans	-63	-46.2	174.4	-74	173.6	15	0	0	111.2	R73 S74 W75 Q79 H80 M81	R73-Q77 WeakPolarHBondContact O-CG 3.32Å; R73-Q77 PolarHBondContact O-N 2.87Å; S74-Q77 PolarHBondContact O-N 3.27Å; W75-Q77 VanDerWaalsContact C-N 3.32Å; W75-Q77 PolarHBondContact O-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.32Å; Q77-H80 PolarHBondContact O-N 3.49Å; Q77-M81 VanDerWaalsContact O-CG 3.28Å; Q77-M81 WeakPolarHBondContact O-CG 3.32Å; Q77-M81 PolarHBondContact O-N 3.48Å
78	Q	82.8	Confident	79.7	Confident	126 Å²	126	97.2 Å²	97.2	59%	0.589	52%	0.518	S	S	*	.	H	α-helix	trans	-60	-45.4	175.3	-74.1	-179.8	-55.8	0	0	111.6	S74 W75 H80 M81 T82	S74-Q78 WeakPolarHBondContact O-CG 3.32Å; S74-Q78 PolarHBondContact O-N 3.09Å; W75-Q78 PolarHBondContact O-N 2.87Å; Q78-H80 VanDerWaalsContact C-N 3.33Å; Q78-H80 PolarHBondContact O-N 2.9Å; Q78-M81 PolarHBondContact O-N 3.1Å; Q78-M81 VanDerWaalsContact O-N 3.15Å; Q78-T82 WeakPolarHBondContact O-CG2 3.29Å; Q78-T82 PolarHBondContact O-N 3.29Å; Q78-T82 PolarHBondContact O-OG1 3.04Å; Q78-T82 VanDerWaalsContact O-OG1 3.13Å
79	Q	76.9	Confident	79	Confident	76 Å²	76	104.2 Å²	104.2	36%	0.355	54%	0.542	S	S	.	.	H	α-helix	trans	-60.4	-41.9	176.5	-68.8	-53.3	-57.6	0	0	111.5	W75 Q76 Q77 M81 T82 S83	W75-Q79 HydrophobicContact CD2-CG 3.78Å; W75-Q79 HydrophobicContact CE3-CG 4.05Å; W75-Q79 HydrophobicContact CG-CG 4.44Å; W75-Q79 HydrophobicContact CH2-CG 3.84Å; W75-Q79 HydrophobicContact CZ2-CG 3.55Å; W75-Q79 HydrophobicContact CZ3-CG 4.07Å; W75-Q79 WeakPolarHBondContact O-CG 3.33Å; W75-Q79 PolarHBondContact O-N 3.21Å; Q76-Q79 PolarHBondContact O-N 3.2Å; Q77-Q79 PolarHBondContact O-N 3.32Å; Q79-M81 VanDerWaalsContact C-N 3.3Å; Q79-M81 PolarHBondContact O-N 3.36Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.37Å; Q79-T82 CarbonylContact O-C 3.51Å; Q79-T82 PolarHBondContact O-N 3.45Å; Q79-T82 PolarHBondContact O-OG1 3.01Å; Q79-T82 VanDerWaalsContact O-OG1 3.07Å; Q79-S83 VanDerWaalsContact O-CA 3.25Å; Q79-S83 WeakPolarHBondContact O-CA 3.48Å; Q79-S83 WeakPolarHBondContact O-CB 3.3Å; Q79-S83 PolarHBondContact O-N 2.76Å; Q79-S83 PolarHBondContact O-OG 3.37Å
80	H	67.5	Low	78.2	Confident	129 Å²	129	104.5 Å²	104.5	60%	0.597	54%	0.541	S	S	*	.	H	α-helix	trans	-68.6	-28.9	177.9	-164.3	-107	0	0	0	112.8	Q76 Q77 Q78 S83 G84	Q76-H80 WeakPolarHBondContact O-CB 3.45Å; Q76-H80 PolarHBondContact O-N 3.01Å; Q77-H80 PolarHBondContact O-N 3.49Å; Q78-H80 VanDerWaalsContact C-N 3.33Å; Q78-H80 PolarHBondContact O-N 2.9Å; H80-S83 CarbonylContact O-C 3.48Å; H80-G84 PolarHBondContact O-N 3.25Å; H80-G84 VanDerWaalsContact O-N 3.07Å
81	M	60.9	Low	77.7	Confident	158 Å²	158	103.5 Å²	103.5	78%	0.778	54%	0.539	S	S	*	.	H	α-helix	trans	-73.1	-32.7	172.2	-63.7	-61.4	159.6	0	0	112.3	Q77 Q78 Q79	Q77-M81 VanDerWaalsContact O-CG 3.28Å; Q77-M81 WeakPolarHBondContact O-CG 3.32Å; Q77-M81 PolarHBondContact O-N 3.48Å; Q78-M81 PolarHBondContact O-N 3.1Å; Q78-M81 VanDerWaalsContact O-N 3.15Å; Q79-M81 VanDerWaalsContact C-N 3.3Å; Q79-M81 PolarHBondContact O-N 3.36Å
82	T	59.4	Low	77.2	Confident	104 Å²	104	104.7 Å²	104.7	64%	0.638	54%	0.544	S	S	*	.	H	α-helix	trans	-89.5	-15.8	176.8	57.3	0	0	0	0	113.7	Q78 Q79	Q78-T82 WeakPolarHBondContact O-CG2 3.29Å; Q78-T82 PolarHBondContact O-N 3.29Å; Q78-T82 PolarHBondContact O-OG1 3.04Å; Q78-T82 VanDerWaalsContact O-OG1 3.13Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.37Å; Q79-T82 CarbonylContact O-C 3.51Å; Q79-T82 PolarHBondContact O-N 3.45Å; Q79-T82 PolarHBondContact O-OG1 3.01Å; Q79-T82 VanDerWaalsContact O-OG1 3.07Å
83	S	57.9	Low	76.8	Confident	66 Å²	66	102.1 Å²	102.1	46%	0.462	53%	0.534	S	S	.	.			trans	-139.7	50.4	-172	-48.1	0	0	0	0	109.7	Q79 H80	Q79-S83 VanDerWaalsContact O-CA 3.25Å; Q79-S83 WeakPolarHBondContact O-CA 3.48Å; Q79-S83 WeakPolarHBondContact O-CB 3.3Å; Q79-S83 PolarHBondContact O-N 2.76Å; Q79-S83 PolarHBondContact O-OG 3.37Å; H80-S83 CarbonylContact O-C 3.48Å
84	G	62.3	Low	76.6	Confident	32 Å²	32	100.9 Å²	100.9	33%	0.33	53%	0.529	S	S	.	.	S	Bend	trans	-51.3	158	150.6	0	0	0	0	0	109	H80 M86	H80-G84 PolarHBondContact O-N 3.25Å; H80-G84 VanDerWaalsContact O-N 3.07Å; G84-M86 PolarHBondContact O-N 3.15Å
85	P	61.2	Low	76.6	Confident	114 Å²	114	102 Å²	102	74%	0.74	54%	0.536	S	S	*	.			trans	-51.6	107.8	-179.6	21.6	-31.6	0	0	0	108.1	T87	P85-T87 WeakPolarHBondContact O-CG2 3.47Å; P85-T87 PolarHBondContact O-N 3.3Å
86	M	65.4	Low	76.6	Confident	132 Å²	132	96.4 Å²	96.4	65%	0.65	52%	0.516	S	S	*	.			trans	-59.6	106.9	-177.7	-85.9	-145.4	-87.4	0	0	106	G84	G84-M86 PolarHBondContact O-N 3.15Å
87	T	77.3	Confident	76.8	Confident	70 Å²	70	95 Å²	95	43%	0.429	51%	0.509	S	S	.	.			trans	-71.6	158.3	177.9	67.8	0	0	0	0	107.2	P85 R89 D90 G91	P85-T87 WeakPolarHBondContact O-CG2 3.47Å; P85-T87 PolarHBondContact O-N 3.3Å; T87-R89 PolarHBondContact O-N 3.31Å; T87-R89 PolarHBondContact OG1-N 3.4Å; T87-D90 WeakPolarHBondContact CB-OD2 3.44Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.36Å; T87-D90 PolarHBondContact N-OD2 2.88Å; T87-D90 PolarHBondContact O-N 3.15Å; T87-D90 PolarHBondContact OG1-N 3.02Å; T87-D90 PolarHBondContact OG1-OD2 3.43Å; T87-G91 PolarHBondContact O-N 3.09Å
88	A	77.3	Confident	77.2	Confident	97 Å²	97	94.2 Å²	94.2	80%	0.802	51%	0.505	S	S	*	.	H	α-helix	trans	-53.1	-29	172.2	0	0	0	0	0	111.8	Y92	A88-Y92 VanDerWaalsContact O-CB 3.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.33Å; A88-Y92 PolarHBondContact O-N 2.83Å
89	R	81.8	Confident	77.7	Confident	158 Å²	158	89.5 Å²	89.5	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-69	-43	174.9	-174.8	178.3	-178.9	164.2	0.4	112.6	T87 Y92 S93 G127	T87-R89 PolarHBondContact O-N 3.31Å; T87-R89 PolarHBondContact OG1-N 3.4Å; R89-Y92 PolarHBondContact O-N 3.05Å; R89-S93 WeakPolarHBondContact O-CB 3.29Å; R89-S93 PolarHBondContact O-N 3.17Å; R89-G127 PolarHBondContact NH2-O 3.3Å
90	D	79.3	Confident	78.4	Confident	78 Å²	78	86.8 Å²	86.8	42%	0.417	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-43	178.3	-54.9	-43.8	0	0	0	110.8	T87 S93 R94	T87-D90 WeakPolarHBondContact CB-OD2 3.44Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.36Å; T87-D90 PolarHBondContact N-OD2 2.88Å; T87-D90 PolarHBondContact O-N 3.15Å; T87-D90 PolarHBondContact OG1-N 3.02Å; T87-D90 PolarHBondContact OG1-OD2 3.43Å; D90-S93 PolarHBondContact O-N 3.27Å; D90-R94 WeakPolarHBondContact O-CB 3.15Å; D90-R94 PolarHBondContact O-N 3.36Å
91	G	84.3	Confident	79.6	Confident	32 Å²	32	81.7 Å²	81.7	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-43.8	174.7	0	0	0	0	0	112.7	T87 R94 C95	T87-G91 PolarHBondContact O-N 3.09Å; G91-R94 PolarHBondContact O-N 3.03Å; G91-C95 WeakPolarHBondContact O-CB 3.48Å; G91-C95 PolarHBondContact O-N 3.3Å
92	Y	85.3	Confident	81.1	Confident	122 Å²	122	80.1 Å²	80.1	48%	0.478	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-47.7	174.9	176.7	-98.6	0	0	0	112	A88 R89 R94 C95 V96 L123	A88-Y92 VanDerWaalsContact O-CB 3.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.33Å; A88-Y92 PolarHBondContact O-N 2.83Å; R89-Y92 PolarHBondContact O-N 3.05Å; Y92-R94 VanDerWaalsContact C-N 3.31Å; Y92-R94 PolarHBondContact O-N 3.04Å; Y92-C95 WeakPolarHBondContact O-CB 3.47Å; Y92-C95 PolarHBondContact O-N 3.43Å; Y92-V96 HydrophobicContact CD1-CG2 4.3Å; Y92-V96 HydrophobicContact CE1-CG2 3.88Å; Y92-V96 HydrophobicContact CE2-CG2 4.12Å; Y92-V96 WeakPolarHBondContact O-CG2 3.48Å; Y92-V96 PolarHBondContact O-N 2.79Å; Y92-L123 WeakPolarHBondContact OH-CD1 3.5Å
93	S	87.1	Confident	82.7	Confident	47 Å²	47	76.2 Å²	76.2	33%	0.329	42%	0.423	S	S	.	.	H	α-helix	trans	-59.5	-42.4	178.7	-171.8	0	0	0	0	111.8	R89 D90 V96 Q97	R89-S93 WeakPolarHBondContact O-CB 3.29Å; R89-S93 PolarHBondContact O-N 3.17Å; D90-S93 PolarHBondContact O-N 3.27Å; S93-V96 PolarHBondContact O-N 3.28Å; S93-Q97 WeakPolarHBondContact O-CG 3.46Å; S93-Q97 PolarHBondContact O-N 3.3Å
94	R	87.6	Confident	84.2	Confident	140 Å²	140	76.6 Å²	76.6	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-63.5	-45.4	176.5	-176.2	175.7	-177.6	144.2	2.7	111.9	D90 G91 Y92 V96 Q97 E98	D90-R94 WeakPolarHBondContact O-CB 3.15Å; D90-R94 PolarHBondContact O-N 3.36Å; G91-R94 PolarHBondContact O-N 3.03Å; Y92-R94 VanDerWaalsContact C-N 3.31Å; Y92-R94 PolarHBondContact O-N 3.04Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 PolarHBondContact O-N 3.21Å; R94-Q97 PolarHBondContact O-N 3.46Å; R94-E98 WeakPolarHBondContact CG-OE1 3.32Å; R94-E98 IonicContact CZ-OE1 3.96Å; R94-E98 IonicContact NE-OE1 3.04Å; R94-E98 PolarHBondContact NE-OE1 3.42Å; R94-E98 IonicContact NH2-OE1 3.95Å; R94-E98 WeakPolarHBondContact O-CG 3.37Å; R94-E98 PolarHBondContact O-N 3.38Å
95	C	90.9	Very high	85.5	Confident	79 Å²	79	83.7 Å²	83.7	53%	0.534	44%	0.442	S	S	.	.	H	α-helix	trans	-58.4	-44.6	176.7	-176.6	0	0	0	0	111.6	G91 Y92 E98 A99	G91-C95 WeakPolarHBondContact O-CB 3.48Å; G91-C95 PolarHBondContact O-N 3.3Å; Y92-C95 WeakPolarHBondContact O-CB 3.47Å; Y92-C95 PolarHBondContact O-N 3.43Å; C95-E98 PolarHBondContact O-N 3.29Å; C95-A99 WeakPolarHBondContact O-CB 3.45Å; C95-A99 PolarHBondContact O-N 3.04Å
96	V	91.6	Very high	86.7	Confident	5 Å²	5	80.4 Å²	80.4	3%	0.03	42%	0.421	C	S	.	.	H	α-helix	trans	-62.9	-43.7	176.3	171.7	0	0	0	0	111.4	Y92 S93 R94 E98 A99 V100 F120 Q124	Y92-V96 HydrophobicContact CD1-CG2 4.3Å; Y92-V96 HydrophobicContact CE1-CG2 3.88Å; Y92-V96 HydrophobicContact CE2-CG2 4.12Å; Y92-V96 WeakPolarHBondContact O-CG2 3.48Å; Y92-V96 PolarHBondContact O-N 2.79Å; S93-V96 PolarHBondContact O-N 3.28Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 PolarHBondContact O-N 3.21Å; V96-E98 PolarHBondContact O-N 3.18Å; V96-A99 PolarHBondContact O-N 3.3Å; V96-V100 HydrophobicContact CG1-CG2 4.49Å; V96-V100 VanDerWaalsContact O-CG2 3.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.35Å; V96-V100 PolarHBondContact O-N 2.94Å; V96-F120 HydrophobicContact CG1-CB 4.14Å; V96-F120 HydrophobicContact CG1-CD1 3.99Å; V96-F120 HydrophobicContact CG1-CG 4.5Å; V96-F120 HydrophobicContact CG2-CD1 4.21Å; V96-Q124 HydrophobicContact CG1-CG 3.71Å
97	Q	91.9	Very high	87.5	Confident	101 Å²	101	83.2 Å²	83.2	47%	0.472	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-43.7	176.3	-77.2	175.6	6.8	0	0	112.5	S93 R94 V100 G101	S93-Q97 WeakPolarHBondContact O-CG 3.46Å; S93-Q97 PolarHBondContact O-N 3.3Å; R94-Q97 PolarHBondContact O-N 3.46Å; Q97-V100 PolarHBondContact O-N 3.32Å; Q97-G101 PolarHBondContact O-N 3.22Å
98	E	92.4	Very high	87.7	Confident	113 Å²	113	85 Å²	85	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-64.4	-42.3	177.4	-72.7	176	-168.6	0	0	111.2	R94 C95 V96 G101 F102	R94-E98 WeakPolarHBondContact CG-OE1 3.32Å; R94-E98 IonicContact CZ-OE1 3.96Å; R94-E98 IonicContact NE-OE1 3.04Å; R94-E98 PolarHBondContact NE-OE1 3.42Å; R94-E98 IonicContact NH2-OE1 3.95Å; R94-E98 WeakPolarHBondContact O-CG 3.37Å; R94-E98 PolarHBondContact O-N 3.38Å; C95-E98 PolarHBondContact O-N 3.29Å; V96-E98 PolarHBondContact O-N 3.18Å; E98-G101 PolarHBondContact O-N 3.09Å; E98-F102 WeakPolarHBondContact O-CB 3.41Å; E98-F102 PolarHBondContact O-N 3.42Å
99	A	92.6	Very high	88	Confident	27 Å²	27	86.7 Å²	86.7	22%	0.223	44%	0.435	C	S	.	.	H	α-helix	trans	-61.4	-46.3	175.3	0	0	0	0	0	112.2	C95 V96 G101 F102 L103 F120	C95-A99 WeakPolarHBondContact O-CB 3.45Å; C95-A99 PolarHBondContact O-N 3.04Å; V96-A99 PolarHBondContact O-N 3.3Å; A99-G101 VanDerWaalsContact C-N 3.35Å; A99-G101 PolarHBondContact O-N 3.49Å; A99-F102 PolarHBondContact O-N 3.21Å; A99-L103 WeakPolarHBondContact O-CB 3.33Å; A99-L103 VanDerWaalsContact O-CG 3.25Å; A99-L103 WeakPolarHBondContact O-CG 3.49Å; A99-L103 PolarHBondContact O-N 2.95Å; A99-F120 HydrophobicContact CB-CD2 4.37Å; A99-F120 HydrophobicContact CB-CE1 4.49Å; A99-F120 HydrophobicContact CB-CE2 4.21Å; A99-F120 HydrophobicContact CB-CZ 4.27Å
100	V	93.1	Very high	88.4	Confident	19 Å²	19	82.7 Å²	82.7	12%	0.115	43%	0.428	C	S	.	.	H	α-helix	trans	-60.5	-45.6	174.8	171.9	0	0	0	0	110.9	V96 Q97 F102 L103 S104 L117 F120 Q121	V96-V100 HydrophobicContact CG1-CG2 4.49Å; V96-V100 VanDerWaalsContact O-CG2 3.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.35Å; V96-V100 PolarHBondContact O-N 2.94Å; Q97-V100 PolarHBondContact O-N 3.32Å; V100-F102 VanDerWaalsContact C-N 3.34Å; V100-F102 PolarHBondContact O-N 2.99Å; V100-L103 PolarHBondContact O-N 3.4Å; V100-S104 VanDerWaalsContact O-CB 3.32Å; V100-S104 WeakPolarHBondContact O-CB 3.36Å; V100-S104 PolarHBondContact O-N 3.01Å; V100-S104 PolarHBondContact O-OG 3.02Å; V100-L117 HydrophobicContact CB-CD1 4.47Å; V100-L117 HydrophobicContact CG1-CD1 3.94Å; V100-F120 HydrophobicContact CG2-CB 3.37Å; V100-F120 HydrophobicContact CG2-CG 4.37Å; V100-Q121 HydrophobicContact CG1-CG 4.31Å
101	G	92.8	Very high	88.9	Confident	21 Å²	21	86.5 Å²	86.5	22%	0.216	44%	0.444	C	S	.	.	H	α-helix	trans	-62.9	-40.8	179.9	0	0	0	0	0	112.3	Q97 E98 A99 R105	Q97-G101 PolarHBondContact O-N 3.22Å; E98-G101 PolarHBondContact O-N 3.09Å; A99-G101 VanDerWaalsContact C-N 3.35Å; A99-G101 PolarHBondContact O-N 3.49Å; G101-R105 WeakPolarHBondContact O-CG 3.5Å; G101-R105 PolarHBondContact O-N 2.7Å; G101-R105 PolarHBondContact O-NH1 3.17Å
102	F	92.4	Very high	89.1	Confident	126 Å²	126	87.8 Å²	87.8	55%	0.553	45%	0.451	S	S	*	.	H	α-helix	trans	-63.3	-52.8	175	177.3	-95.9	0	0	0	111.6	E98 A99 V100 S104 R105 C106	E98-F102 WeakPolarHBondContact O-CB 3.41Å; E98-F102 PolarHBondContact O-N 3.42Å; A99-F102 PolarHBondContact O-N 3.21Å; V100-F102 VanDerWaalsContact C-N 3.34Å; V100-F102 PolarHBondContact O-N 2.99Å; F102-S104 VanDerWaalsContact C-N 3.31Å; F102-S104 PolarHBondContact O-N 3.32Å; F102-R105 PolarHBondContact O-N 2.91Å; F102-C106 PolarHBondContact O-N 3.49Å
103	L	91.7	Very high	89.4	Confident	22 Å²	22	82.7 Å²	82.7	12%	0.115	43%	0.432	C	S	.	.	H	α-helix	trans	-60.9	-39.7	179.9	-67.9	170.9	0	0	0	111.4	A99 V100 R105 C106 H113 L116 L117 F120	A99-L103 WeakPolarHBondContact O-CB 3.33Å; A99-L103 VanDerWaalsContact O-CG 3.25Å; A99-L103 WeakPolarHBondContact O-CG 3.49Å; A99-L103 PolarHBondContact O-N 2.95Å; V100-L103 PolarHBondContact O-N 3.4Å; L103-R105 PolarHBondContact O-N 3.24Å; L103-C106 WeakPolarHBondContact O-CB 3.41Å; L103-C106 PolarHBondContact O-N 2.99Å; L103-H113 WeakPolarHBondContact CA-NE2 3.46Å; L103-H113 WeakPolarHBondContact CB-NE2 3.37Å; L103-H113 WeakPolarHBondContact CD2-CD2 3.35Å; L103-H113 PolarHBondContact O-CE1 3.38Å; L103-H113 PolarHBondContact O-NE2 3.22Å; L103-L116 HydrophobicContact CD1-CB 4.01Å; L103-L117 HydrophobicContact CB-CD1 3.99Å; L103-F120 HydrophobicContact CD1-CD2 3.85Å; L103-F120 HydrophobicContact CD1-CE2 4.06Å
104	S	90.1	Very high	89.6	Confident	73 Å²	73	84.5 Å²	84.5	51%	0.51	44%	0.437	S	S	.	.	H	α-helix	trans	-63.1	-19.1	178.3	-55.7	0	0	0	0	113.8	V100 F102	V100-S104 VanDerWaalsContact O-CB 3.32Å; V100-S104 WeakPolarHBondContact O-CB 3.36Å; V100-S104 PolarHBondContact O-N 3.01Å; V100-S104 PolarHBondContact O-OG 3.02Å; F102-S104 VanDerWaalsContact C-N 3.31Å; F102-S104 PolarHBondContact O-N 3.32Å
105	R	90.4	Very high	89.8	Confident	181 Å²	181	83 Å²	83	68%	0.683	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-4.9	177.4	-65.9	-173.4	-61.6	-92.2	1.1	113.4	G101 F102 L103 E107	G101-R105 WeakPolarHBondContact O-CG 3.5Å; G101-R105 PolarHBondContact O-N 2.7Å; G101-R105 PolarHBondContact O-NH1 3.17Å; F102-R105 PolarHBondContact O-N 2.91Å; L103-R105 PolarHBondContact O-N 3.24Å; R105-E107 PolarHBondContact O-N 3.42Å
106	C	85.8	Confident	89.9	Confident	46 Å²	46	83.2 Å²	83.2	31%	0.311	43%	0.434	S	S	.	.			trans	-73.2	122.7	177.5	-92.7	0	0	0	0	110.8	F102 L103 V108 H113	F102-C106 PolarHBondContact O-N 3.49Å; L103-C106 WeakPolarHBondContact O-CB 3.41Å; L103-C106 PolarHBondContact O-N 2.99Å; C106-V108 VanDerWaalsContact C-N 3.29Å; C106-V108 PolarHBondContact O-N 2.95Å; C106-H113 WeakPolarHBondContact CB-NE2 3.37Å
107	E	81.3	Confident	89.9	Confident	190 Å²	190	84.1 Å²	84.1	89%	0.888	44%	0.439	S	S	*	.	S	Bend	trans	-68.4	-29.7	178.2	-62.1	-178.3	173.8	0	0	112.4	R105 Q109	R105-E107 PolarHBondContact O-N 3.42Å; E107-Q109 PolarHBondContact O-N 3.44Å
108	V	82.3	Confident	89.8	Confident	108 Å²	108	82.5 Å²	82.5	66%	0.655	44%	0.439	S	S	*	.			trans	-89.8	101.2	-179.4	-172.3	0	0	0	0	110.2	C106 T110	C106-V108 VanDerWaalsContact C-N 3.29Å; C106-V108 PolarHBondContact O-N 2.95Å; V108-T110 HydrophobicContact CG1-CG2 3.88Å; V108-T110 PolarHBondContact O-N 2.92Å
109	Q	83.4	Confident	89.8	Confident	132 Å²	132	82.3 Å²	82.3	62%	0.617	44%	0.438	S	S	*	.			trans	-95.4	74.3	179.5	-65.5	-177.5	69.9	0	0	111.5	E107 L114	E107-Q109 PolarHBondContact O-N 3.44Å; Q109-L114 HydrophobicContact CB-CD2 4.49Å
110	T	90	Very high	89.8	Confident	75 Å²	75	83.3 Å²	83.3	46%	0.46	44%	0.437	S	S	.	.			trans	-66.5	163.1	170.6	65.1	0	0	0	0	111.1	V108 A112 H113 L114	V108-T110 HydrophobicContact CG1-CG2 3.88Å; V108-T110 PolarHBondContact O-N 2.92Å; T110-A112 PolarHBondContact O-N 3.43Å; T110-H113 VanDerWaalsContact O-CB 3.26Å; T110-H113 WeakPolarHBondContact O-CB 3.47Å; T110-H113 PolarHBondContact O-N 2.7Å; T110-H113 PolarHBondContact OG1-N 3.03Å; T110-L114 PolarHBondContact O-N 3.5Å; T110-L114 VanDerWaalsContact O-N 3.11Å
111	Q	89.4	Confident	89.6	Confident	158 Å²	158	87 Å²	87	74%	0.738	45%	0.453	S	S	*	.	H	α-helix	trans	-57.2	-39.6	174.3	-172.5	-179.4	8.1	0	0	112.1	H113 L114 L115	Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.4Å; Q111-L114 PolarHBondContact O-N 2.82Å; Q111-L115 HydrophobicContact CG-CD1 4.3Å; Q111-L115 VanDerWaalsContact O-CG 3.3Å; Q111-L115 WeakPolarHBondContact O-CG 2.89Å; Q111-L115 PolarHBondContact O-N 2.76Å
112	A	89.4	Confident	89.3	Confident	59 Å²	59	88 Å²	88	49%	0.488	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-38.8	175.8	0	0	0	0	0	112.1	T110 L115 L116	T110-A112 PolarHBondContact O-N 3.43Å; A112-L115 PolarHBondContact O-N 3.29Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 WeakPolarHBondContact O-CG 3.41Å; A112-L116 PolarHBondContact O-N 3.36Å
113	H	91.4	Very high	88.9	Confident	15 Å²	15	84.6 Å²	84.6	7%	0.069	45%	0.45	C	S	.	.	H	α-helix	trans	-60.5	-48.4	175.8	179.1	-92.4	0	0	0	112.1	L103 C106 T110 Q111 L115 L116 L117	L103-H113 WeakPolarHBondContact CA-NE2 3.46Å; L103-H113 WeakPolarHBondContact CB-NE2 3.37Å; L103-H113 WeakPolarHBondContact CD2-CD2 3.35Å; L103-H113 PolarHBondContact O-CE1 3.38Å; L103-H113 PolarHBondContact O-NE2 3.22Å; C106-H113 WeakPolarHBondContact CB-NE2 3.37Å; T110-H113 VanDerWaalsContact O-CB 3.26Å; T110-H113 WeakPolarHBondContact O-CB 3.47Å; T110-H113 PolarHBondContact O-N 2.7Å; T110-H113 PolarHBondContact OG1-N 3.03Å; Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.4Å; H113-L115 VanDerWaalsContact C-N 3.33Å; H113-L115 PolarHBondContact O-N 3.06Å; H113-L116 PolarHBondContact O-N 2.78Å; H113-L117 WeakPolarHBondContact O-CB 3.42Å; H113-L117 PolarHBondContact O-N 2.86Å
114	L	90.2	Very high	88.3	Confident	85 Å²	85	87 Å²	87	45%	0.445	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-39.3	178.4	-66.2	173.1	0	0	0	112.2	Q109 T110 Q111 S118	Q109-L114 HydrophobicContact CB-CD2 4.49Å; T110-L114 PolarHBondContact O-N 3.5Å; T110-L114 VanDerWaalsContact O-N 3.11Å; Q111-L114 PolarHBondContact O-N 2.82Å; L114-S118 WeakPolarHBondContact O-CB 3.28Å; L114-S118 PolarHBondContact O-N 2.93Å; L114-S118 PolarHBondContact O-OG 3.3Å
115	L	93.1	Very high	87.4	Confident	107 Å²	107	86.8 Å²	86.8	56%	0.56	46%	0.464	S	S	*	.	H	α-helix	trans	-66.6	-42.3	176.5	-71.1	172	0	0	0	112.4	Q111 A112 H113 S118 H119	Q111-L115 HydrophobicContact CG-CD1 4.3Å; Q111-L115 VanDerWaalsContact O-CG 3.3Å; Q111-L115 WeakPolarHBondContact O-CG 2.89Å; Q111-L115 PolarHBondContact O-N 2.76Å; A112-L115 PolarHBondContact O-N 3.29Å; H113-L115 VanDerWaalsContact C-N 3.33Å; H113-L115 PolarHBondContact O-N 3.06Å; L115-S118 PolarHBondContact O-OG 2.98Å; L115-H119 VanDerWaalsContact O-CB 3.31Å; L115-H119 WeakPolarHBondContact O-CB 3.17Å; L115-H119 PolarHBondContact O-N 3.29Å; L115-H119 VanDerWaalsContact O-N 3.08Å
116	L	92.2	Very high	86.2	Confident	84 Å²	84	82.3 Å²	82.3	44%	0.44	46%	0.46	S	S	.	.	H	α-helix	trans	-65.1	-45	176.4	-75	169.5	0	0	0	111.2	L103 A112 H113 H119 F120	L103-L116 HydrophobicContact CD1-CB 4.01Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 WeakPolarHBondContact O-CG 3.41Å; A112-L116 PolarHBondContact O-N 3.36Å; H113-L116 PolarHBondContact O-N 2.78Å; L116-H119 PolarHBondContact O-N 2.92Å; L116-F120 HydrophobicContact CB-CD2 4.49Å; L116-F120 HydrophobicContact CB-CE2 4.32Å; L116-F120 HydrophobicContact CD2-CE2 4.29Å; L116-F120 WeakPolarHBondContact O-CD2 3.34Å; L116-F120 PolarHBondContact O-N 3.27Å
117	L	92.2	Very high	85	Confident	25 Å²	25	82.1 Å²	82.1	13%	0.131	47%	0.466	C	S	.	.	H	α-helix	trans	-62.3	-45	-179.7	-175.9	63.2	0	0	0	111.8	V100 L103 H113 H119 F120 Q121	V100-L117 HydrophobicContact CB-CD1 4.47Å; V100-L117 HydrophobicContact CG1-CD1 3.94Å; L103-L117 HydrophobicContact CB-CD1 3.99Å; H113-L117 WeakPolarHBondContact O-CB 3.42Å; H113-L117 PolarHBondContact O-N 2.86Å; L117-H119 PolarHBondContact O-N 3.49Å; L117-F120 PolarHBondContact O-N 3.13Å; L117-Q121 WeakPolarHBondContact O-CB 3.47Å; L117-Q121 VanDerWaalsContact O-CG 3.26Å; L117-Q121 WeakPolarHBondContact O-CG 3.47Å; L117-Q121 PolarHBondContact O-N 3.48Å
118	S	90.1	Very high	83.7	Confident	67 Å²	67	83.9 Å²	83.9	47%	0.469	47%	0.465	S	S	.	.	H	α-helix	trans	-64.6	-40	177.6	68.3	0	0	0	0	112.1	L114 L115 Q121 G122	L114-S118 WeakPolarHBondContact O-CB 3.28Å; L114-S118 PolarHBondContact O-N 2.93Å; L114-S118 PolarHBondContact O-OG 3.3Å; L115-S118 PolarHBondContact O-OG 2.98Å; S118-Q121 PolarHBondContact O-N 3.02Å; S118-G122 PolarHBondContact O-N 2.96Å
119	H	92	Very high	82	Confident	109 Å²	109	85.1 Å²	85.1	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-50.3	175.2	176.4	-98.9	0	0	0	111.9	L115 L116 L117 Q121 G122 L123	L115-H119 VanDerWaalsContact O-CB 3.31Å; L115-H119 WeakPolarHBondContact O-CB 3.17Å; L115-H119 PolarHBondContact O-N 3.29Å; L115-H119 VanDerWaalsContact O-N 3.08Å; L116-H119 PolarHBondContact O-N 2.92Å; L117-H119 PolarHBondContact O-N 3.49Å; H119-Q121 PolarHBondContact O-N 3.39Å; H119-G122 PolarHBondContact O-N 3.02Å; H119-L123 VanDerWaalsContact CE1-CD1 3.4Å; H119-L123 WeakPolarHBondContact CE1-CD1 3.36Å; H119-L123 WeakPolarHBondContact O-CG 3.24Å; H119-L123 PolarHBondContact O-N 3.36Å
120	F	91.6	Very high	80.3	Confident	47 Å²	47	81.7 Å²	81.7	21%	0.206	47%	0.468	C	S	.	.	H	α-helix	trans	-66.7	-34.6	179.9	-71.6	-61.3	0	0	0	113.3	V96 A99 V100 L103 L116 L117 L123 Q124	V96-F120 HydrophobicContact CG1-CB 4.14Å; V96-F120 HydrophobicContact CG1-CD1 3.99Å; V96-F120 HydrophobicContact CG1-CG 4.5Å; V96-F120 HydrophobicContact CG2-CD1 4.21Å; A99-F120 HydrophobicContact CB-CD2 4.37Å; A99-F120 HydrophobicContact CB-CE1 4.49Å; A99-F120 HydrophobicContact CB-CE2 4.21Å; A99-F120 HydrophobicContact CB-CZ 4.27Å; V100-F120 HydrophobicContact CG2-CB 3.37Å; V100-F120 HydrophobicContact CG2-CG 4.37Å; L103-F120 HydrophobicContact CD1-CD2 3.85Å; L103-F120 HydrophobicContact CD1-CE2 4.06Å; L116-F120 HydrophobicContact CB-CD2 4.49Å; L116-F120 HydrophobicContact CB-CE2 4.32Å; L116-F120 HydrophobicContact CD2-CE2 4.29Å; L116-F120 WeakPolarHBondContact O-CD2 3.34Å; L116-F120 PolarHBondContact O-N 3.27Å; L117-F120 PolarHBondContact O-N 3.13Å; F120-L123 HydrophobicContact CD1-CD1 4.04Å; F120-L123 PolarHBondContact O-N 2.93Å; F120-Q124 PolarHBondContact O-N 3.07Å
121	Q	89.9	Confident	78.3	Confident	98 Å²	98	87.1 Å²	87.1	46%	0.458	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-39.5	172.8	-72.3	173.6	5.5	0	0	111.8	V100 L117 S118 H119 Q124 A125	V100-Q121 HydrophobicContact CG1-CG 4.31Å; L117-Q121 WeakPolarHBondContact O-CB 3.47Å; L117-Q121 VanDerWaalsContact O-CG 3.26Å; L117-Q121 WeakPolarHBondContact O-CG 3.47Å; L117-Q121 PolarHBondContact O-N 3.48Å; S118-Q121 PolarHBondContact O-N 3.02Å; H119-Q121 PolarHBondContact O-N 3.39Å; Q121-Q124 PolarHBondContact O-N 3.22Å; Q121-A125 PolarHBondContact O-N 3.23Å
122	G	86.9	Confident	75.9	Confident	41 Å²	41	82.7 Å²	82.7	42%	0.423	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-38.8	174.4	0	0	0	0	0	113.3	S118 H119 Q124 A125 S126	S118-G122 PolarHBondContact O-N 2.96Å; H119-G122 PolarHBondContact O-N 3.02Å; G122-Q124 VanDerWaalsContact C-N 3.3Å; G122-Q124 PolarHBondContact O-N 3.31Å; G122-A125 PolarHBondContact O-N 3.33Å; G122-S126 PolarHBondContact O-N 2.89Å; G122-S126 VanDerWaalsContact O-N 3.13Å
123	L	83.6	Confident	73.8	Confident	54 Å²	54	87 Å²	87	28%	0.283	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-36.7	175.3	-71.1	171.4	0	0	0	112.5	Y92 H119 F120 S126 G127	Y92-L123 WeakPolarHBondContact OH-CD1 3.5Å; H119-L123 VanDerWaalsContact CE1-CD1 3.4Å; H119-L123 WeakPolarHBondContact CE1-CD1 3.36Å; H119-L123 WeakPolarHBondContact O-CG 3.24Å; H119-L123 PolarHBondContact O-N 3.36Å; F120-L123 HydrophobicContact CD1-CD1 4.04Å; F120-L123 PolarHBondContact O-N 2.93Å; L123-S126 PolarHBondContact O-N 3.29Å; L123-G127 PolarHBondContact O-N 3.04Å
124	Q	78.6	Confident	71.7	Confident	72 Å²	72	89.5 Å²	89.5	34%	0.336	54%	0.543	S	S	.	.	H	α-helix	trans	-70.6	-33.8	176.5	-65.9	-144.1	74.8	0	0	113.1	V96 F120 Q121 G122	V96-Q124 HydrophobicContact CG1-CG 3.71Å; F120-Q124 PolarHBondContact O-N 3.07Å; Q121-Q124 PolarHBondContact O-N 3.22Å; G122-Q124 VanDerWaalsContact C-N 3.3Å; G122-Q124 PolarHBondContact O-N 3.31Å
125	A	71.8	Confident	69.7	Low	70 Å²	70	90.1 Å²	90.1	58%	0.579	55%	0.554	S	S	*	*	H	α-helix	trans	-69	-35.9	175.7	0	0	0	0	0	112.4	Q121 G122	Q121-A125 PolarHBondContact O-N 3.23Å; G122-A125 PolarHBondContact O-N 3.33Å
126	S	65.6	Low	67.4	Low	87 Å²	87	90.5 Å²	90.5	61%	0.608	56%	0.563	S	S	*	*	H	α-helix	trans	-72.4	-34.1	179.4	-167.6	0	0	0	0	112.9	G122 L123 R128 N129	G122-S126 PolarHBondContact O-N 2.89Å; G122-S126 VanDerWaalsContact O-N 3.13Å; L123-S126 PolarHBondContact O-N 3.29Å; S126-R128 PolarHBondContact O-N 3.45Å; S126-N129 PolarHBondContact O-N 3.16Å
127	G	59.1	Low	65	Low	42 Å²	42	91.2 Å²	91.2	43%	0.433	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	-7.2	-177.4	0	0	0	0	0	116.3	R89 L123	R89-G127 PolarHBondContact NH2-O 3.3Å; L123-G127 PolarHBondContact O-N 3.04Å
128	R	54.4	Low	62.9	Low	226 Å²	226	94.5 Å²	94.5	85%	0.853	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-12.1	-179.5	-150.9	156.6	81.7	-176.7	6.8	113.9	S126	S126-R128 PolarHBondContact O-N 3.45Å
129	N	46.6	Very low	60.5	Low	135 Å²	135	98.1 Å²	98.1	72%	0.722	62%	0.62	S	S	*	*	S	Bend	trans	-110.8	115.8	178.4	-63.3	-13.7	0	0	0	109	S126	S126-N129 PolarHBondContact O-N 3.16Å
130	G	48.7	Very low	58.4	Low	60 Å²	60	96.3 Å²	96.3	62%	0.619	63%	0.631	S	S	*	*			trans	-65.3	166.6	-172.7	0	0	0	0	0	115.8
131	L	48.5	Very low	56	Low	188 Å²	188	98.1 Å²	98.1	98%	0.984	65%	0.649	S	S	*	*			trans	69.4	91	156.6	-58.7	161.4	0	0	0	116.9
132	G	38.6	Very low	53.7	Low	65 Å²	65	98.4 Å²	98.4	67%	0.67	66%	0.66	S	S	*	*			trans	-165	121.4	160.3	0	0	0	0	0	111.5	G134	G132-G134 PolarHBondContact O-N 3.24Å
133	P	44.2	Very low	51.5	Low	149 Å²	149	104.9 Å²	104.9	97%	0.968	68%	0.684	S	S	*	*	S	Bend	trans	-78.7	88.9	172.4	31.6	-28.2	0	0	0	108.1
134	G	48.3	Very low	49.6	Very low	69 Å²	69	110.5 Å²	110.5	71%	0.711	71%	0.708	S	S	*	*			trans	172.2	61.3	-178	0	0	0	0	0	113.2	G132	G132-G134 PolarHBondContact O-N 3.24Å
135	S	46.9	Very low	47.8	Very low	97 Å²	97	118.2 Å²	118.2	68%	0.678	73%	0.734	S	S	*	*			trans	-88.7	128.6	158.2	-171.3	0	0	0	0	107.8	S137	S135-S137 PolarHBondContact O-N 2.95Å; S135-S137 VanDerWaalsContact O-N 3.11Å
136	P	44.9	Very low	46	Very low	116 Å²	116	119.4 Å²	119.4	75%	0.753	74%	0.744	S	S	*	*			trans	-68.4	111.2	169.5	27.6	-29.2	0	0	0	107.6
137	S	43.6	Very low	44.7	Very low	98 Å²	98	120.8 Å²	120.8	69%	0.685	75%	0.753	S	S	*	*			trans	-59.4	137.8	165.9	-56.1	0	0	0	0	108.5	S135	S135-S137 PolarHBondContact O-N 2.95Å; S135-S137 VanDerWaalsContact O-N 3.11Å
138	P	47.8	Very low	43.5	Very low	95 Å²	95	124 Å²	124	62%	0.617	77%	0.77	S	S	*	*			trans	-59.9	142.5	170.1	24.4	-30.7	0	0	0	109.5	G140	P138-G140 PolarHBondContact O-N 3.49Å
139	P	39.9	Very low	42.7	Very low	142 Å²	142	118.9 Å²	118.9	92%	0.922	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	109.2	-179.8	27.4	-31.2	0	0	0	108.8
140	G	46.4	Very low	42.6	Very low	72 Å²	72	121.8 Å²	121.8	74%	0.742	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.8	0.7	172.2	0	0	0	0	0	117.6	P138 P142	P138-G140 PolarHBondContact O-N 3.49Å; G140-P142 WeakPolarHBondContact O-CD 3.4Å
141	S	40.9	Very low	41.8	Very low	85 Å²	85	122.5 Å²	122.5	59%	0.594	78%	0.782	S	S	*	*			trans	-72.1	123.6	177.2	-54.7	0	0	0	0	111.7	L143	S141-L143 PolarHBondContact O-N 3.48Å
142	P	42.4	Very low	41.7	Very low	103 Å²	103	121.7 Å²	121.7	67%	0.669	78%	0.778	S	S	*	*			trans	-68.1	119.6	172.4	-7.6	21.5	0	0	0	109.4	G140 H144	G140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-H144 VanDerWaalsContact C-N 3.3Å; P142-H144 PolarHBondContact O-N 3.09Å
143	L	40.5	Very low	41.6	Very low	178 Å²	178	122 Å²	122	93%	0.932	78%	0.781	S	S	*	*			trans	-67.2	87.6	168.3	-85.1	157.3	0	0	0	109.2	S141 R145	S141-L143 PolarHBondContact O-N 3.48Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.03Å
144	H	43.9	Very low	41.8	Very low	172 Å²	172	120.6 Å²	120.6	80%	0.796	77%	0.772	S	S	*	*			trans	-73.8	93.1	164.9	-84.1	-86.6	0	0	0	109.1	P142 A146	P142-H144 VanDerWaalsContact C-N 3.3Å; P142-H144 PolarHBondContact O-N 3.09Å; H144-A146 PolarHBondContact O-N 2.97Å
145	R	40.6	Very low	42.2	Very low	234 Å²	234	124.2 Å²	124.2	88%	0.883	78%	0.78	S	S	*	*			trans	-66.8	94.1	163.1	176.4	176.1	-93.7	178	-6.7	108	L143 S147	L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.03Å; R145-S147 PolarHBondContact O-N 3.18Å
146	A	35	Very low	42.1	Very low	95 Å²	95	123 Å²	123	79%	0.785	78%	0.782	S	S	*	*			trans	-76.5	102.3	168.9	0	0	0	0	0	109.2	H144 S148	H144-A146 PolarHBondContact O-N 2.97Å; A146-S148 PolarHBondContact O-N 3.19Å
147	S	36.8	Very low	42.3	Very low	115 Å²	115	120.4 Å²	120.4	80%	0.804	78%	0.777	S	S	*	*			trans	-66.6	109.6	162.8	-93.4	0	0	0	0	108.8	R145 S149	R145-S147 PolarHBondContact O-N 3.18Å; S147-S149 PolarHBondContact O-N 2.92Å
148	S	35.4	Very low	42.9	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	78%	0.782	S	S	*	*			trans	-86.8	100.2	171.5	-173.4	0	0	0	0	109.1	A146 K150	A146-S148 PolarHBondContact O-N 3.19Å; S148-K150 PolarHBondContact O-N 3.16Å
149	S	37.7	Very low	43.5	Very low	117 Å²	117	124 Å²	124	82%	0.818	79%	0.791	S	S	*	*			trans	-80.5	109.8	162.6	46.9	0	0	0	0	108.8	S147 G151	S147-S149 PolarHBondContact O-N 2.92Å; S149-G151 PolarHBondContact O-N 2.94Å
150	K	43.1	Very low	44.7	Very low	196 Å²	196	128.6 Å²	128.6	85%	0.852	79%	0.79	S	S	*	*			trans	-60.8	117.9	166.8	-83.3	172.3	168.3	176.9	0	109.6	S148	S148-K150 PolarHBondContact O-N 3.16Å
151	G	33.2	Very low	45.3	Very low	75 Å²	75	135 Å²	135	77%	0.773	79%	0.792	S	S	*	*			trans	-117.6	108.1	158.7	0	0	0	0	0	108.6	S149	S149-G151 PolarHBondContact O-N 2.94Å
152	L	45.2	Very low	45.9	Very low	172 Å²	172	136.5 Å²	136.5	90%	0.901	80%	0.8	S	S	*	*			trans	-72.4	138.4	168.8	-78.2	91.6	0	0	0	109.6
153	G	37.8	Very low	46.8	Very low	71 Å²	71	144.8 Å²	144.8	73%	0.732	82%	0.818	S	S	*	*			trans	-178.2	141.2	164.2	0	0	0	0	0	111.8
154	P	47.3	Very low	47.1	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	81%	0.812	S	S	*	*			trans	-98.9	154.8	-138.6	17	-0.1	0	0	0	114.6	G156	P154-G156 PolarHBondContact O-N 2.95Å
155	T	56	Low	47.3	Very low	145 Å²	145	141.6 Å²	141.6	89%	0.89	81%	0.813	S	S	*	*			trans	-7.3	94.2	151.3	54.5	0	0	0	0	115.4
156	G	45.7	Very low	47.7	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	81%	0.809	S	S	*	*			trans	-103	72.1	158.7	0	0	0	0	0	108.2	P154 S158	P154-G156 PolarHBondContact O-N 2.95Å; G156-S158 PolarHBondContact O-N 3.08Å
157	G	48.6	Very low	48.4	Very low	62 Å²	62	138.9 Å²	138.9	64%	0.639	81%	0.811	S	S	*	*			trans	-53.8	115.6	166.2	0	0	0	0	0	106.8	L159	G157-L159 VanDerWaalsContact C-N 3.33Å; G157-L159 PolarHBondContact O-N 3.03Å
158	S	55.8	Low	49.1	Very low	113 Å²	113	140.4 Å²	140.4	79%	0.79	81%	0.811	S	S	*	*			trans	-49.1	102.8	176.4	-58.5	0	0	0	0	107.4	G156 W160	G156-S158 PolarHBondContact O-N 3.08Å; S158-W160 VanDerWaalsContact C-N 3.26Å; S158-W160 PolarHBondContact O-N 3.44Å
159	L	62.3	Low	50.1	Low	156 Å²	156	142.4 Å²	142.4	82%	0.817	81%	0.813	S	S	*	*			trans	-59.1	100.2	174	-84.8	121.1	0	0	0	105.4	G157 R161	G157-L159 VanDerWaalsContact C-N 3.33Å; G157-L159 PolarHBondContact O-N 3.03Å; L159-R161 PolarHBondContact O-N 3.17Å
160	W	64	Low	51	Low	238 Å²	238	144.2 Å²	144.2	90%	0.902	81%	0.813	S	S	*	*			trans	-47.1	115.3	165.6	-105.7	85.5	0	0	0	107	S158 P162	S158-W160 VanDerWaalsContact C-N 3.26Å; S158-W160 PolarHBondContact O-N 3.44Å; W160-P162 WeakPolarHBondContact O-CD 3.1Å
161	R	58.7	Low	51.6	Low	208 Å²	208	140.2 Å²	140.2	79%	0.785	81%	0.81	S	S	*	*			trans	-97.5	112.3	170.1	-72.4	-172.6	173.3	-86.9	-0.1	107	L159	L159-R161 PolarHBondContact O-N 3.17Å
162	P	53.5	Low	53.1	Low	116 Å²	116	145.7 Å²	145.7	75%	0.753	81%	0.813	S	S	*	*			trans	-61.4	141.1	163.6	-11.3	26.6	0	0	0	108.1	W160	W160-P162 WeakPolarHBondContact O-CD 3.1Å
163	W	62.2	Low	53.8	Low	277 Å²	277	143.3 Å²	143.3	100%	1.049	81%	0.805	S	S	*	*			trans	-70.1	0	166.6	-54.4	85.9	0	0	0	109.8

Retrieved 163 of 163 residues in 412.3 ms (Link to these results)

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