A0A077YXZ8_TRITR Loading...

Hypoxia-inducible factor 1 alpha

AlphaFold DB , UniProt , Accession A0A077YXZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 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	48.3	Very low	71.2	Confident	242 Å²	242	118.4 Å²	118.4	100%	1.192	62%	0.618	S	S	*	*				0	102.3	0	-139.2	150.7	104.6	0	0	107.6	S3	M1-S3 PolarHBondContact O-N 3.36Å
2	V	62.1	Low	72.4	Confident	118 Å²	118	113.3 Å²	113.3	72%	0.715	59%	0.593	S	S	*	*			trans	-66.1	122.3	179	-138.1	0	0	0	0	107.3	W4 V7	V2-W4 PolarHBondContact O-N 2.99Å; V2-V7 HydrophobicContact CG1-CG2 4.37Å
3	S	67.9	Low	73.7	Confident	82 Å²	82	108.8 Å²	108.8	57%	0.573	57%	0.569	S	S	*	*			trans	-61	114.4	179.8	178.2	0	0	0	0	109	M1 G5 A6 V7	M1-S3 PolarHBondContact O-N 3.36Å; S3-G5 PolarHBondContact O-N 3.4Å; S3-G5 VanDerWaalsContact O-N 3.07Å; S3-A6 WeakPolarHBondContact O-CB 3.25Å; S3-A6 PolarHBondContact O-N 3.05Å; S3-V7 PolarHBondContact O-N 3.05Å
4	W	68.1	Low	74.8	Confident	221 Å²	221	110.1 Å²	110.1	84%	0.837	57%	0.57	S	S	*	*	H	α-helix	trans	-52.6	-30.9	179.6	-79	82.1	0	0	0	112.5	V2 A6 V7 H8	V2-W4 PolarHBondContact O-N 2.99Å; W4-A6 PolarHBondContact O-N 2.68Å; W4-V7 PolarHBondContact O-N 2.92Å; W4-H8 PolarHBondContact O-N 3.08Å
5	G	73.8	Confident	75.7	Confident	50 Å²	50	113.1 Å²	113.1	52%	0.515	58%	0.577	S	S	.	*	H	α-helix	trans	-60.6	-40.5	173.4	0	0	0	0	0	113.2	S3 F9	S3-G5 PolarHBondContact O-N 3.4Å; S3-G5 VanDerWaalsContact O-N 3.07Å; G5-F9 WeakPolarHBondContact O-CB 3.48Å; G5-F9 PolarHBondContact O-N 3.42Å
6	A	75.8	Confident	76.3	Confident	51 Å²	51	116.9 Å²	116.9	42%	0.421	58%	0.582	S	S	.	*	H	α-helix	trans	-67.6	-41.9	176.6	0	0	0	0	0	111.5	S3 W4 H8 F9 C10	S3-A6 WeakPolarHBondContact O-CB 3.25Å; S3-A6 PolarHBondContact O-N 3.05Å; W4-A6 PolarHBondContact O-N 2.68Å; A6-H8 PolarHBondContact O-N 3.03Å; A6-F9 PolarHBondContact O-N 3.38Å; A6-C10 WeakPolarHBondContact O-CB 3.16Å; A6-C10 PolarHBondContact O-N 3.02Å; A6-C10 PolarHBondContact O-SG 3.01Å
7	V	75	Confident	77.1	Confident	51 Å²	51	119.8 Å²	119.8	31%	0.309	59%	0.585	S	S	.	*	H	α-helix	trans	-63.2	-44.2	177.7	-179.5	0	0	0	0	111.2	V2 S3 W4 R11	V2-V7 HydrophobicContact CG1-CG2 4.37Å; S3-V7 PolarHBondContact O-N 3.05Å; W4-V7 PolarHBondContact O-N 2.92Å; V7-R11 WeakPolarHBondContact O-CB 3.44Å; V7-R11 WeakPolarHBondContact O-CG 3.34Å; V7-R11 PolarHBondContact O-N 2.84Å
8	H	74.3	Confident	77.8	Confident	133 Å²	133	117.2 Å²	117.2	62%	0.616	57%	0.571	S	S	*	*	H	α-helix	trans	-65.1	-41.9	177.3	-174.8	-98.4	0	0	0	112	W4 A6 R11 N12	W4-H8 PolarHBondContact O-N 3.08Å; A6-H8 PolarHBondContact O-N 3.03Å; H8-R11 PolarHBondContact O-N 3.45Å; H8-N12 WeakPolarHBondContact O-CB 3.04Å; H8-N12 PolarHBondContact O-N 3Å
9	F	76.1	Confident	78.6	Confident	125 Å²	125	118.5 Å²	118.5	55%	0.548	57%	0.574	S	S	.	*	H	α-helix	trans	-63.4	-46.6	176.7	-176	-106.4	0	0	0	112.3	G5 A6 R11 N12 I13	G5-F9 WeakPolarHBondContact O-CB 3.48Å; G5-F9 PolarHBondContact O-N 3.42Å; A6-F9 PolarHBondContact O-N 3.38Å; F9-R11 PolarHBondContact O-N 3.32Å; F9-N12 PolarHBondContact O-N 3.01Å; F9-I13 HydrophobicContact CD1-CD1 3.68Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.14Å; F9-I13 HydrophobicContact CE1-CG1 4.13Å; F9-I13 HydrophobicContact CE2-CD1 4.23Å; F9-I13 HydrophobicContact CE2-CG1 4.49Å; F9-I13 HydrophobicContact CG-CD1 4.43Å; F9-I13 HydrophobicContact CZ-CD1 3.47Å; F9-I13 VanDerWaalsContact CZ-CD1 3.47Å; F9-I13 HydrophobicContact CZ-CG1 4.18Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 3.44Å
10	C	79.4	Confident	79.4	Confident	70 Å²	70	116.5 Å²	116.5	47%	0.473	57%	0.572	S	S	.	*	H	α-helix	trans	-57.6	-47.9	174.4	-71.5	0	0	0	0	111.6	A6 N12 I13 E14	A6-C10 WeakPolarHBondContact O-CB 3.16Å; A6-C10 PolarHBondContact O-N 3.02Å; A6-C10 PolarHBondContact O-SG 3.01Å; C10-N12 VanDerWaalsContact C-N 3.31Å; C10-N12 PolarHBondContact O-N 3.35Å; C10-I13 PolarHBondContact O-N 2.78Å; C10-E14 WeakPolarHBondContact O-CG 3.34Å; C10-E14 PolarHBondContact O-N 3.29Å
11	R	82.3	Confident	80.1	Confident	159 Å²	159	117.9 Å²	117.9	60%	0.6	57%	0.571	S	S	*	*	H	α-helix	trans	-58.9	-40	175.5	-75.1	176.6	176.1	177.2	-0.2	112.4	V7 H8 F9 E14 K15	V7-R11 WeakPolarHBondContact O-CB 3.44Å; V7-R11 WeakPolarHBondContact O-CG 3.34Å; V7-R11 PolarHBondContact O-N 2.84Å; H8-R11 PolarHBondContact O-N 3.45Å; F9-R11 PolarHBondContact O-N 3.32Å; R11-E14 PolarHBondContact O-N 2.96Å; R11-K15 WeakPolarHBondContact O-CG 3.24Å; R11-K15 PolarHBondContact O-N 3.37Å
12	N	86.3	Confident	82.3	Confident	58 Å²	58	110 Å²	110	31%	0.31	53%	0.534	S	S	.	.	H	α-helix	trans	-69.6	-39.6	178	-168.1	30.4	0	0	0	112.1	H8 F9 C10 K15 R16	H8-N12 WeakPolarHBondContact O-CB 3.04Å; H8-N12 PolarHBondContact O-N 3Å; F9-N12 PolarHBondContact O-N 3.01Å; C10-N12 VanDerWaalsContact C-N 3.31Å; C10-N12 PolarHBondContact O-N 3.35Å; N12-K15 PolarHBondContact O-N 2.86Å; N12-R16 WeakPolarHBondContact O-CG 3.49Å; N12-R16 PolarHBondContact O-N 3.03Å
13	I	88.2	Confident	83.9	Confident	55 Å²	55	107.7 Å²	107.7	28%	0.282	52%	0.518	S	S	.	.	H	α-helix	trans	-61.8	-44.4	172.8	-74.6	-179.3	0	0	0	110.7	F9 C10 R16 R17	F9-I13 HydrophobicContact CD1-CD1 3.68Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.14Å; F9-I13 HydrophobicContact CE1-CG1 4.13Å; F9-I13 HydrophobicContact CE2-CD1 4.23Å; F9-I13 HydrophobicContact CE2-CG1 4.49Å; F9-I13 HydrophobicContact CG-CD1 4.43Å; F9-I13 HydrophobicContact CZ-CD1 3.47Å; F9-I13 VanDerWaalsContact CZ-CD1 3.47Å; F9-I13 HydrophobicContact CZ-CG1 4.18Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 3.44Å; C10-I13 PolarHBondContact O-N 2.78Å; I13-R16 PolarHBondContact O-N 2.99Å; I13-R17 HydrophobicContact CG2-CG 4.25Å; I13-R17 WeakPolarHBondContact O-CB 3.23Å; I13-R17 WeakPolarHBondContact O-CG 3.45Å; I13-R17 PolarHBondContact O-N 2.77Å
14	E	89.6	Confident	85.3	Confident	127 Å²	127	105.3 Å²	105.3	59%	0.593	50%	0.503	S	S	*	.	H	α-helix	trans	-61.3	-44.5	177.7	-76	-179.7	168.8	0	0	111.5	C10 R11 R16 R17 E18	C10-E14 WeakPolarHBondContact O-CG 3.34Å; C10-E14 PolarHBondContact O-N 3.29Å; R11-E14 PolarHBondContact O-N 2.96Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.01Å; E14-R17 PolarHBondContact O-N 3.35Å; E14-E18 WeakPolarHBondContact O-CB 3.36Å; E14-E18 PolarHBondContact O-N 3.14Å
15	K	87.9	Confident	86.7	Confident	154 Å²	154	101.4 Å²	101.4	67%	0.67	49%	0.488	S	S	*	.	H	α-helix	trans	-57.6	-43.3	172.8	-73.7	178.5	-179.2	-174.8	0	112.2	R11 N12 E18 K19	R11-K15 WeakPolarHBondContact O-CG 3.24Å; R11-K15 PolarHBondContact O-N 3.37Å; N12-K15 PolarHBondContact O-N 2.86Å; K15-E18 PolarHBondContact O-N 3.2Å; K15-K19 WeakPolarHBondContact O-CB 3.35Å; K15-K19 PolarHBondContact O-N 2.98Å
16	R	86	Confident	87.8	Confident	174 Å²	174	106.6 Å²	106.6	66%	0.657	49%	0.493	S	S	*	.	H	α-helix	trans	-66.4	-41	176.7	-72.8	178.8	179.6	-176.2	-1.5	112.4	N12 I13 E14 S20	N12-R16 WeakPolarHBondContact O-CG 3.49Å; N12-R16 PolarHBondContact O-N 3.03Å; I13-R16 PolarHBondContact O-N 2.99Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.01Å; R16-S20 WeakPolarHBondContact O-CB 3.35Å; R16-S20 PolarHBondContact O-N 3.23Å
17	R	90.2	Very high	88.8	Confident	167 Å²	167	112.9 Å²	112.9	63%	0.63	51%	0.506	S	S	*	.	H	α-helix	trans	-64.9	-41.9	176	-78.7	-178.8	164.3	176.9	-4.6	111.4	I13 E14 S20 R21	I13-R17 HydrophobicContact CG2-CG 4.25Å; I13-R17 WeakPolarHBondContact O-CB 3.23Å; I13-R17 WeakPolarHBondContact O-CG 3.45Å; I13-R17 PolarHBondContact O-N 2.77Å; E14-R17 PolarHBondContact O-N 3.35Å; R17-S20 PolarHBondContact O-N 3.05Å; R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.41Å; R17-R21 PolarHBondContact O-N 3.07Å
18	E	89.5	Confident	89.7	Confident	72 Å²	72	118.4 Å²	118.4	34%	0.336	52%	0.521	S	S	.	.	H	α-helix	trans	-69.8	-39.4	179	-165.1	56	-148.7	0	0	111.8	E14 K15 S20 R21 N22	E14-E18 WeakPolarHBondContact O-CB 3.36Å; E14-E18 PolarHBondContact O-N 3.14Å; K15-E18 PolarHBondContact O-N 3.2Å; E18-S20 PolarHBondContact O-N 3.26Å; E18-R21 WeakPolarHBondContact O-CB 3.33Å; E18-R21 PolarHBondContact O-N 2.7Å; E18-R21 VanDerWaalsContact OE2-CD 3.27Å; E18-R21 WeakPolarHBondContact OE2-CD 3.4Å; E18-R21 IonicContact OE2-CZ 3.6Å; E18-R21 IonicContact OE2-NH1 2.76Å; E18-R21 PolarHBondContact OE2-NH1 3.11Å; E18-N22 PolarHBondContact O-N 2.9Å; E18-N22 PolarHBondContact O-ND2 3.37Å
19	K	92.9	Very high	90.6	Very high	142 Å²	142	120.9 Å²	120.9	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-57.8	-48.8	169.7	-175.9	176.3	179	178.9	0	111.3	K15 R21 N22 D23	K15-K19 WeakPolarHBondContact O-CB 3.35Å; K15-K19 PolarHBondContact O-N 2.98Å; K19-R21 VanDerWaalsContact C-N 3.31Å; K19-R21 PolarHBondContact O-N 2.62Å; K19-N22 PolarHBondContact O-N 3.25Å; K19-N22 VanDerWaalsContact O-N 3.17Å; K19-D23 WeakPolarHBondContact O-CB 3.38Å; K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 3.3Å
20	S	94.2	Very high	91.6	Very high	78 Å²	78	116.5 Å²	116.5	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-59.2	-39.8	177.1	179.4	0	0	0	0	112.6	R16 R17 E18 D23 A24	R16-S20 WeakPolarHBondContact O-CB 3.35Å; R16-S20 PolarHBondContact O-N 3.23Å; R17-S20 PolarHBondContact O-N 3.05Å; E18-S20 PolarHBondContact O-N 3.26Å; S20-D23 PolarHBondContact O-N 3.44Å; S20-A24 WeakPolarHBondContact O-CB 3.46Å; S20-A24 PolarHBondContact O-N 2.94Å
21	R	93.8	Very high	92.1	Very high	147 Å²	147	117.1 Å²	117.1	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-45.2	174.4	-75.3	168.8	173.7	175.7	-2.6	112	R17 E18 K19 A24 R25	R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.41Å; R17-R21 PolarHBondContact O-N 3.07Å; E18-R21 WeakPolarHBondContact O-CB 3.33Å; E18-R21 PolarHBondContact O-N 2.7Å; E18-R21 VanDerWaalsContact OE2-CD 3.27Å; E18-R21 WeakPolarHBondContact OE2-CD 3.4Å; E18-R21 IonicContact OE2-CZ 3.6Å; E18-R21 IonicContact OE2-NH1 2.76Å; E18-R21 PolarHBondContact OE2-NH1 3.11Å; K19-R21 VanDerWaalsContact C-N 3.31Å; K19-R21 PolarHBondContact O-N 2.62Å; R21-A24 PolarHBondContact O-N 2.71Å; R21-R25 WeakPolarHBondContact O-CG 3.43Å; R21-R25 PolarHBondContact O-N 2.91Å
22	N	95.2	Very high	92.5	Very high	76 Å²	76	111.3 Å²	111.3	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-65.6	-41.7	177.9	-73.6	-25.6	0	0	0	111.6	E18 K19 A24 R25 Y26	E18-N22 PolarHBondContact O-N 2.9Å; E18-N22 PolarHBondContact O-ND2 3.37Å; K19-N22 PolarHBondContact O-N 3.25Å; K19-N22 VanDerWaalsContact O-N 3.17Å; N22-A24 VanDerWaalsContact C-N 3.32Å; N22-A24 PolarHBondContact O-N 2.78Å; N22-R25 WeakPolarHBondContact O-CB 3.47Å; N22-R25 PolarHBondContact O-N 3.5Å; N22-Y26 WeakPolarHBondContact O-CB 3.31Å; N22-Y26 PolarHBondContact O-N 2.76Å
23	D	96.6	Very high	92.7	Very high	70 Å²	70	115.4 Å²	115.4	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-41.5	174	-68.2	-14.9	0	0	0	111.1	K19 S20 Y26 R27	K19-D23 WeakPolarHBondContact O-CB 3.38Å; K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 3.3Å; S20-D23 PolarHBondContact O-N 3.44Å; D23-Y26 PolarHBondContact O-N 3.47Å; D23-R27 VanDerWaalsContact O-CG 3.31Å; D23-R27 WeakPolarHBondContact O-CG 3.46Å; D23-R27 PolarHBondContact O-N 2.82Å
24	A	97	Very high	92.9	Very high	31 Å²	31	117 Å²	117	26%	0.256	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-39.9	175.5	0	0	0	0	0	112.6	S20 R21 N22 R27 R28	S20-A24 WeakPolarHBondContact O-CB 3.46Å; S20-A24 PolarHBondContact O-N 2.94Å; R21-A24 PolarHBondContact O-N 2.71Å; N22-A24 VanDerWaalsContact C-N 3.32Å; N22-A24 PolarHBondContact O-N 2.78Å; A24-R27 PolarHBondContact O-N 2.96Å; A24-R28 WeakPolarHBondContact O-CG 3.42Å; A24-R28 PolarHBondContact O-N 3.12Å; A24-R28 VanDerWaalsContact O-N 3.09Å
25	R	96.5	Very high	92.8	Very high	139 Å²	139	112.2 Å²	112.2	53%	0.525	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-43.7	173.4	-74.8	172.8	175.3	170.2	-3.3	111.2	R21 N22 R28 R29	R21-R25 WeakPolarHBondContact O-CG 3.43Å; R21-R25 PolarHBondContact O-N 2.91Å; N22-R25 WeakPolarHBondContact O-CB 3.47Å; N22-R25 PolarHBondContact O-N 3.5Å; R25-R28 PolarHBondContact O-N 3.14Å; R25-R29 WeakPolarHBondContact O-CB 3.31Å; R25-R29 PolarHBondContact O-N 2.94Å
26	Y	96.8	Very high	92.8	Very high	159 Å²	159	108.8 Å²	108.8	62%	0.624	48%	0.48	S	S	*	.	H	α-helix	trans	-60	-46.7	176.4	178.9	-97.7	0	0	0	111.4	N22 D23 R28 R29 S30	N22-Y26 WeakPolarHBondContact O-CB 3.31Å; N22-Y26 PolarHBondContact O-N 2.76Å; D23-Y26 PolarHBondContact O-N 3.47Å; Y26-R28 PolarHBondContact O-N 3.35Å; Y26-R29 PolarHBondContact O-N 3.07Å; Y26-S30 WeakPolarHBondContact O-CB 3.45Å; Y26-S30 PolarHBondContact O-N 3.12Å
27	R	96.2	Very high	92.9	Very high	183 Å²	183	104.6 Å²	104.6	69%	0.691	47%	0.468	S	S	*	.	H	α-helix	trans	-56.9	-49	175.7	-72	173.3	-172.4	-178.9	2	112.2	D23 A24 R29 S30 E31	D23-R27 VanDerWaalsContact O-CG 3.31Å; D23-R27 WeakPolarHBondContact O-CG 3.46Å; D23-R27 PolarHBondContact O-N 2.82Å; A24-R27 PolarHBondContact O-N 2.96Å; R27-R29 PolarHBondContact O-N 2.81Å; R27-S30 PolarHBondContact O-N 3.06Å; R27-E31 WeakPolarHBondContact O-CB 3.32Å; R27-E31 PolarHBondContact O-N 2.91Å
28	R	94.2	Very high	92.8	Very high	168 Å²	168	98.6 Å²	98.6	63%	0.634	45%	0.448	S	S	*	.	H	α-helix	trans	-61.2	-40.7	178.4	-70.6	178	-173.9	125.7	-1.2	112.8	A24 R25 Y26 A32	A24-R28 WeakPolarHBondContact O-CG 3.42Å; A24-R28 PolarHBondContact O-N 3.12Å; A24-R28 VanDerWaalsContact O-N 3.09Å; R25-R28 PolarHBondContact O-N 3.14Å; Y26-R28 PolarHBondContact O-N 3.35Å; R28-A32 WeakPolarHBondContact O-CB 3.39Å; R28-A32 PolarHBondContact O-N 3.19Å
29	R	94.9	Very high	92.5	Very high	185 Å²	185	97.6 Å²	97.6	70%	0.698	45%	0.449	S	S	*	.	H	α-helix	trans	-69.3	-40.3	177.8	-169.6	-178.2	-65.1	145.6	-2.3	111.7	R25 Y26 R27 A32 R33	R25-R29 WeakPolarHBondContact O-CB 3.31Å; R25-R29 PolarHBondContact O-N 2.94Å; Y26-R29 PolarHBondContact O-N 3.07Å; R27-R29 PolarHBondContact O-N 2.81Å; R29-A32 PolarHBondContact O-N 3.33Å; R29-R33 PolarHBondContact O-N 3.07Å; R29-R33 VanDerWaalsContact O-N 3.07Å
30	S	95.4	Very high	92.1	Very high	33 Å²	33	97.9 Å²	97.9	23%	0.231	45%	0.452	C	S	.	.	H	α-helix	trans	-63.5	-48	176.5	-168.7	0	0	0	0	111.3	Y26 R27 A32 R33 I34	Y26-S30 WeakPolarHBondContact O-CB 3.45Å; Y26-S30 PolarHBondContact O-N 3.12Å; R27-S30 PolarHBondContact O-N 3.06Å; S30-A32 VanDerWaalsContact C-N 3.35Å; S30-A32 PolarHBondContact O-N 2.74Å; S30-R33 WeakPolarHBondContact O-CB 3.31Å; S30-R33 PolarHBondContact O-N 3.19Å; S30-I34 WeakPolarHBondContact O-CG1 3.1Å; S30-I34 PolarHBondContact O-N 2.9Å
31	E	91.2	Very high	91.6	Very high	83 Å²	83	99.9 Å²	99.9	39%	0.388	46%	0.455	S	S	.	.	H	α-helix	trans	-58	-46.2	175.9	-174.1	-167.8	152.5	0	0	111.3	R27 R33 I34 F35 R55	R27-E31 WeakPolarHBondContact O-CB 3.32Å; R27-E31 PolarHBondContact O-N 2.91Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 2.72Å; E31-I34 PolarHBondContact O-N 3.22Å; E31-F35 HydrophobicContact CG-CD2 3.8Å; E31-F35 HydrophobicContact CG-CE2 3.75Å; E31-F35 WeakPolarHBondContact O-CD2 3.45Å; E31-F35 PolarHBondContact O-N 2.83Å; E31-F35 WeakPolarHBondContact OE1-CE2 3.36Å; E31-R55 VanDerWaalsContact CD-NH1 3.34Å; E31-R55 IonicContact OE1-CZ 3.82Å; E31-R55 IonicContact OE1-NH1 2.75Å; E31-R55 PolarHBondContact OE1-NH1 3.27Å; E31-R55 IonicContact OE2-NH1 3.76Å
32	A	90	Very high	91	Very high	37 Å²	37	93.7 Å²	93.7	31%	0.306	43%	0.433	S	S	.	.	H	α-helix	trans	-59	-41.5	177.1	0	0	0	0	0	112.5	R28 R29 S30 F35 T36	R28-A32 WeakPolarHBondContact O-CB 3.39Å; R28-A32 PolarHBondContact O-N 3.19Å; R29-A32 PolarHBondContact O-N 3.33Å; S30-A32 VanDerWaalsContact C-N 3.35Å; S30-A32 PolarHBondContact O-N 2.74Å; A32-F35 PolarHBondContact O-N 3.24Å; A32-T36 PolarHBondContact O-N 3.11Å; A32-T36 VanDerWaalsContact O-N 3.08Å; A32-T36 PolarHBondContact O-OG1 2.92Å; A32-T36 VanDerWaalsContact O-OG1 3.13Å
33	R	91.5	Very high	90.1	Very high	143 Å²	143	93.7 Å²	93.7	54%	0.54	44%	0.437	S	S	.	.	H	α-helix	trans	-62.1	-46.7	174.9	-175.9	179.7	69.4	103.2	-7.9	111.8	R29 S30 E31 F35 T36 E37	R29-R33 PolarHBondContact O-N 3.07Å; R29-R33 VanDerWaalsContact O-N 3.07Å; S30-R33 WeakPolarHBondContact O-CB 3.31Å; S30-R33 PolarHBondContact O-N 3.19Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 2.72Å; R33-F35 VanDerWaalsContact C-N 3.29Å; R33-F35 PolarHBondContact O-N 3.18Å; R33-T36 PolarHBondContact O-N 2.86Å; R33-E37 WeakPolarHBondContact CG-OE1 2.94Å; R33-E37 IonicContact CZ-OE1 3.99Å; R33-E37 IonicContact NE-OE1 3.93Å; R33-E37 IonicContact NH1-OE1 3.06Å; R33-E37 PolarHBondContact NH1-OE1 3.04Å; R33-E37 WeakPolarHBondContact O-CG 3.4Å; R33-E37 PolarHBondContact O-N 3.28Å
34	I	91.3	Very high	88.8	Confident	88 Å²	88	91.6 Å²	91.6	45%	0.451	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-40.3	178.2	-66.5	164.2	0	0	0	110.7	S30 E31 E37 L38	S30-I34 WeakPolarHBondContact O-CG1 3.1Å; S30-I34 PolarHBondContact O-N 2.9Å; E31-I34 PolarHBondContact O-N 3.22Å; I34-E37 PolarHBondContact O-N 3.22Å; I34-L38 VanDerWaalsContact O-CB 3.32Å; I34-L38 WeakPolarHBondContact O-CB 3.46Å; I34-L38 PolarHBondContact O-N 2.93Å
35	F	88.4	Confident	87.1	Confident	28 Å²	28	92.1 Å²	92.1	12%	0.123	43%	0.426	C	S	.	.	H	α-helix	trans	-63.5	-42.8	176.1	-94.3	-76.1	0	0	0	112.7	E31 A32 R33 L38 C39 R55 V58 L59	E31-F35 HydrophobicContact CG-CD2 3.8Å; E31-F35 HydrophobicContact CG-CE2 3.75Å; E31-F35 WeakPolarHBondContact O-CD2 3.45Å; E31-F35 PolarHBondContact O-N 2.83Å; E31-F35 WeakPolarHBondContact OE1-CE2 3.36Å; A32-F35 PolarHBondContact O-N 3.24Å; R33-F35 VanDerWaalsContact C-N 3.29Å; R33-F35 PolarHBondContact O-N 3.18Å; F35-L38 WeakPolarHBondContact O-CB 3.13Å; F35-L38 PolarHBondContact O-N 3.5Å; F35-C39 PolarHBondContact O-N 3.49Å; F35-C39 PolarHBondContact O-SG 3.1Å; F35-C39 VanDerWaalsContact O-SG 3.34Å; F35-R55 HydrophobicContact CD1-CB 4.41Å; F35-R55 HydrophobicContact CD1-CG 4.23Å; F35-R55 HydrophobicContact CD2-CG 4.45Å; F35-R55 HydrophobicContact CE1-CB 3.7Å; F35-R55 HydrophobicContact CE1-CG 3.97Å; F35-R55 HydrophobicContact CE2-CB 4.37Å; F35-R55 HydrophobicContact CE2-CG 4.22Å; F35-R55 HydrophobicContact CG-CG 4.46Å; F35-R55 HydrophobicContact CZ-CB 3.68Å; F35-R55 HydrophobicContact CZ-CG 3.97Å; F35-V58 HydrophobicContact CD1-CG1 4.34Å; F35-V58 HydrophobicContact CE1-CB 4.47Å; F35-L59 HydrophobicContact CE1-CD1 4.39Å; F35-L59 HydrophobicContact CE1-CD2 4Å; F35-L59 HydrophobicContact CE1-CG 3.83Å; F35-L59 HydrophobicContact CZ-CD1 3.93Å; F35-L59 HydrophobicContact CZ-CD2 4.01Å; F35-L59 HydrophobicContact CZ-CG 3.86Å
36	T	86.4	Confident	85.4	Confident	81 Å²	81	95.2 Å²	95.2	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-61.2	-46.3	175.4	-56.3	0	0	0	0	111.1	A32 R33 L38 C39 H40	A32-T36 PolarHBondContact O-N 3.11Å; A32-T36 VanDerWaalsContact O-N 3.08Å; A32-T36 PolarHBondContact O-OG1 2.92Å; A32-T36 VanDerWaalsContact O-OG1 3.13Å; R33-T36 PolarHBondContact O-N 2.86Å; T36-L38 VanDerWaalsContact C-N 3.32Å; T36-L38 PolarHBondContact O-N 2.86Å; T36-C39 PolarHBondContact O-N 3.38Å; T36-H40 PolarHBondContact O-CD2 3.16Å; T36-H40 PolarHBondContact O-N 2.63Å
37	E	88.8	Confident	83.8	Confident	87 Å²	87	92.6 Å²	92.6	41%	0.407	44%	0.437	S	S	.	.	H	α-helix	trans	-60.1	-41.9	175.4	-70.7	171.9	-164.3	0	0	111.5	R33 I34 C39 H40 I41	R33-E37 WeakPolarHBondContact CG-OE1 2.94Å; R33-E37 IonicContact CZ-OE1 3.99Å; R33-E37 IonicContact NE-OE1 3.93Å; R33-E37 IonicContact NH1-OE1 3.06Å; R33-E37 PolarHBondContact NH1-OE1 3.04Å; R33-E37 WeakPolarHBondContact O-CG 3.4Å; R33-E37 PolarHBondContact O-N 3.28Å; I34-E37 PolarHBondContact O-N 3.22Å; E37-C39 PolarHBondContact O-N 3.42Å; E37-H40 PolarHBondContact O-N 2.81Å; E37-I41 WeakPolarHBondContact O-CG1 3.43Å; E37-I41 PolarHBondContact O-N 2.78Å
38	L	88.2	Confident	82	Confident	41 Å²	41	88.1 Å²	88.1	22%	0.215	43%	0.431	C	S	.	.	H	α-helix	trans	-61.5	-44.5	176.9	-176.8	62.2	0	0	0	111.8	I34 F35 T36 H40 I41 L42 V58 L59 A62	I34-L38 VanDerWaalsContact O-CB 3.32Å; I34-L38 WeakPolarHBondContact O-CB 3.46Å; I34-L38 PolarHBondContact O-N 2.93Å; F35-L38 WeakPolarHBondContact O-CB 3.13Å; F35-L38 PolarHBondContact O-N 3.5Å; T36-L38 VanDerWaalsContact C-N 3.32Å; T36-L38 PolarHBondContact O-N 2.86Å; L38-H40 PolarHBondContact O-N 3.1Å; L38-I41 PolarHBondContact O-N 3.25Å; L38-I41 VanDerWaalsContact O-N 3.11Å; L38-L42 HydrophobicContact CD1-CD1 4.45Å; L38-L42 HydrophobicContact CD1-CG 4.35Å; L38-L42 HydrophobicContact CG-CD1 4.13Å; L38-L42 HydrophobicContact CG-CG 4.45Å; L38-L42 WeakPolarHBondContact O-CG 3.23Å; L38-L42 PolarHBondContact O-N 3.5Å; L38-L42 VanDerWaalsContact O-N 3.11Å; L38-V58 HydrophobicContact CD2-CG1 3.93Å; L38-V58 HydrophobicContact CG-CG1 4.18Å; L38-L59 HydrophobicContact CD2-CD2 4.08Å; L38-A62 HydrophobicContact CD1-CB 4.02Å; L38-A62 HydrophobicContact CD2-CB 4.13Å; L38-A62 HydrophobicContact CG-CB 4.44Å
39	C	83.5	Confident	80.3	Confident	50 Å²	50	83.9 Å²	83.9	34%	0.338	42%	0.424	S	S	.	.	H	α-helix	trans	-60.4	-32.3	176.8	-70.4	0	0	0	0	112.8	F35 T36 E37	F35-C39 PolarHBondContact O-N 3.49Å; F35-C39 PolarHBondContact O-SG 3.1Å; F35-C39 VanDerWaalsContact O-SG 3.34Å; T36-C39 PolarHBondContact O-N 3.38Å; E37-C39 PolarHBondContact O-N 3.42Å
40	H	83.4	Confident	78.7	Confident	149 Å²	149	77.4 Å²	77.4	69%	0.69	40%	0.401	S	S	*	.	H	α-helix	trans	-72.8	-26.6	176.4	-71.6	-58.2	0	0	0	113.8	T36 E37 L38	T36-H40 PolarHBondContact O-CD2 3.16Å; T36-H40 PolarHBondContact O-N 2.63Å; E37-H40 PolarHBondContact O-N 2.81Å; L38-H40 PolarHBondContact O-N 3.1Å
41	I	85.5	Confident	76.9	Confident	119 Å²	119	84.9 Å²	84.9	61%	0.61	43%	0.426	S	S	*	.	H	α-helix	trans	-85.1	-33.3	-179.1	-63.5	163	0	0	0	111.4	E37 L38	E37-I41 WeakPolarHBondContact O-CG1 3.43Å; E37-I41 PolarHBondContact O-N 2.78Å; L38-I41 PolarHBondContact O-N 3.25Å; L38-I41 VanDerWaalsContact O-N 3.11Å
42	L	80.8	Confident	75.7	Confident	17 Å²	17	89 Å²	89	9%	0.089	45%	0.445	C	S	.	.	S	Bend	trans	-70.8	145.7	179.5	-63.9	173.6	0	0	0	110.4	L38 L44 V58 V61 A62 M65	L38-L42 HydrophobicContact CD1-CD1 4.45Å; L38-L42 HydrophobicContact CD1-CG 4.35Å; L38-L42 HydrophobicContact CG-CD1 4.13Å; L38-L42 HydrophobicContact CG-CG 4.45Å; L38-L42 WeakPolarHBondContact O-CG 3.23Å; L38-L42 PolarHBondContact O-N 3.5Å; L38-L42 VanDerWaalsContact O-N 3.11Å; L42-L44 HydrophobicContact CB-CD1 3.86Å; L42-L44 HydrophobicContact CB-CG 3.75Å; L42-L44 HydrophobicContact CD1-CD1 3.88Å; L42-L44 HydrophobicContact CD1-CG 4.46Å; L42-L44 PolarHBondContact O-N 2.92Å; L42-V58 HydrophobicContact CD1-CG1 3.79Å; L42-V61 HydrophobicContact CD1-CB 4.37Å; L42-V61 HydrophobicContact CD1-CG1 4.32Å; L42-V61 HydrophobicContact CD2-CG1 4.44Å; L42-A62 HydrophobicContact CD1-CB 4.15Å; L42-A62 HydrophobicContact CD2-CB 3.94Å; L42-M65 HydrophobicContact CD2-CB 4.38Å; L42-M65 HydrophobicContact CD2-CG 4.21Å
43	P	76	Confident	74.6	Confident	77 Å²	77	90.1 Å²	90.1	50%	0.5	45%	0.445	S	S	.	.			trans	-74.9	47.9	174.3	35	-37.4	0	0	0	111.1	M65	P43-M65 HydrophobicContact CG-CE 3.75Å; P43-M65 HydrophobicContact CG-CG 4.43Å; P43-M65 HydrophobicContact CG-SD 3.84Å
44	L	68.8	Low	74.1	Confident	26 Å²	26	87.9 Å²	87.9	14%	0.136	44%	0.444	C	S	.	.			trans	-79.8	131	172.6	-62.5	169.4	0	0	0	107	L42 F50 V61	L42-L44 HydrophobicContact CB-CD1 3.86Å; L42-L44 HydrophobicContact CB-CG 3.75Å; L42-L44 HydrophobicContact CD1-CD1 3.88Å; L42-L44 HydrophobicContact CD1-CG 4.46Å; L42-L44 PolarHBondContact O-N 2.92Å; L44-F50 HydrophobicContact CB-CD1 3.9Å; L44-F50 HydrophobicContact CB-CE1 4.11Å; L44-F50 HydrophobicContact CD2-CD1 3.92Å; L44-F50 HydrophobicContact CD2-CE1 3.64Å; L44-F50 HydrophobicContact CG-CD1 4.32Å; L44-F50 HydrophobicContact CG-CE1 4.42Å; L44-V61 HydrophobicContact CD2-CG1 4.14Å; L44-V61 HydrophobicContact CD2-CG2 4.34Å
45	T	61.8	Low	73.7	Confident	42 Å²	42	89.3 Å²	89.3	26%	0.258	44%	0.443	S	S	.	.			trans	-63.5	142.3	177.1	59.4	0	0	0	0	108.5	E47 F50 R140	T45-E47 PolarHBondContact O-N 3.17Å; T45-E47 WeakPolarHBondContact OG1-CG 3.44Å; T45-F50 WeakPolarHBondContact O-CD2 3.43Å; T45-F50 WeakPolarHBondContact O-CG 3.35Å; T45-F50 WeakPolarHBondContact OG1-CE2 3.35Å; T45-R140 HydrophobicContact CG2-CB 4.27Å
46	K	61.1	Low	73.6	Confident	203 Å²	203	93 Å²	93	88%	0.883	46%	0.464	S	S	*	.			trans	-72.5	24	178.4	-61.2	-177.7	-179.5	176.3	0	112.6
47	E	62	Low	73.3	Confident	105 Å²	105	90.6 Å²	90.6	49%	0.491	45%	0.452	S	S	.	.			trans	-66.3	142.1	179.5	-71	-71.4	147.3	0	0	109.1	T45 T49 F50	T45-E47 PolarHBondContact O-N 3.17Å; T45-E47 WeakPolarHBondContact OG1-CG 3.44Å; E47-T49 PolarHBondContact O-N 3.29Å; E47-F50 HydrophobicContact CB-CD2 3.84Å; E47-F50 HydrophobicContact CB-CE2 4.05Å; E47-F50 PolarHBondContact O-N 3.03Å
48	P	58	Low	72.9	Confident	88 Å²	88	86.7 Å²	86.7	57%	0.571	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-59.8	-23.1	-175.8	23.7	-33.6	0	0	0	113	F50 Y51	P48-F50 PolarHBondContact O-N 3.39Å; P48-Y51 HydrophobicContact CB-CD2 4.42Å; P48-Y51 VanDerWaalsContact O-CD2 3.31Å; P48-Y51 WeakPolarHBondContact O-CD2 3.41Å; P48-Y51 PolarHBondContact O-N 3.06Å
49	T	59.2	Low	72.8	Confident	79 Å²	79	88.7 Å²	88.7	49%	0.485	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-59.9	-24.4	173.4	19.3	0	0	0	0	113.4	E47 Y51	E47-T49 PolarHBondContact O-N 3.29Å; T49-Y51 PolarHBondContact O-N 3.04Å
50	F	60.7	Low	72.8	Confident	50 Å²	50	89.2 Å²	89.2	22%	0.219	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-78	-17.2	-178.9	-73.2	-95.7	0	0	0	114.2	L44 T45 E47 P48 H52 L53	L44-F50 HydrophobicContact CB-CD1 3.9Å; L44-F50 HydrophobicContact CB-CE1 4.11Å; L44-F50 HydrophobicContact CD2-CD1 3.92Å; L44-F50 HydrophobicContact CD2-CE1 3.64Å; L44-F50 HydrophobicContact CG-CD1 4.32Å; L44-F50 HydrophobicContact CG-CE1 4.42Å; T45-F50 WeakPolarHBondContact O-CD2 3.43Å; T45-F50 WeakPolarHBondContact O-CG 3.35Å; T45-F50 WeakPolarHBondContact OG1-CE2 3.35Å; E47-F50 HydrophobicContact CB-CD2 3.84Å; E47-F50 HydrophobicContact CB-CE2 4.05Å; E47-F50 PolarHBondContact O-N 3.03Å; P48-F50 PolarHBondContact O-N 3.39Å; F50-H52 PolarHBondContact O-N 3.35Å; F50-H52 VanDerWaalsContact O-N 3.1Å; F50-L53 HydrophobicContact CB-CD1 4.18Å; F50-L53 HydrophobicContact CD1-CD1 3.41Å; F50-L53 VanDerWaalsContact CD1-CD1 3.41Å; F50-L53 HydrophobicContact CD1-CD2 4.22Å; F50-L53 HydrophobicContact CD1-CG 4.41Å; F50-L53 HydrophobicContact CE1-CD1 3.94Å; F50-L53 HydrophobicContact CE1-CD2 4.49Å; F50-L53 HydrophobicContact CG-CD1 3.94Å; F50-L53 PolarHBondContact O-N 3.43Å; F50-L53 VanDerWaalsContact O-N 3.16Å
51	Y	59.3	Low	72.6	Confident	189 Å²	189	82.9 Å²	82.9	74%	0.741	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.4	175.6	-69.9	-69.6	0	0	0	113	P48 T49	P48-Y51 HydrophobicContact CB-CD2 4.42Å; P48-Y51 VanDerWaalsContact O-CD2 3.31Å; P48-Y51 WeakPolarHBondContact O-CD2 3.41Å; P48-Y51 PolarHBondContact O-N 3.06Å; T49-Y51 PolarHBondContact O-N 3.04Å
52	H	65	Low	72.5	Confident	171 Å²	171	77.8 Å²	77.8	79%	0.792	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-108.8	11.6	-179.8	-58.1	-59	0	0	0	113.8	F50 D54	F50-H52 PolarHBondContact O-N 3.35Å; F50-H52 VanDerWaalsContact O-N 3.1Å; H52-D54 PolarHBondContact O-N 3.41Å
53	L	67.5	Low	72.7	Confident	59 Å²	59	80.5 Å²	80.5	31%	0.309	40%	0.404	S	S	.	.			trans	-63.4	133.4	175.4	-109.2	86.4	0	0	0	110.9	F50 A57 V58	F50-L53 HydrophobicContact CB-CD1 4.18Å; F50-L53 HydrophobicContact CD1-CD1 3.41Å; F50-L53 VanDerWaalsContact CD1-CD1 3.41Å; F50-L53 HydrophobicContact CD1-CD2 4.22Å; F50-L53 HydrophobicContact CD1-CG 4.41Å; F50-L53 HydrophobicContact CE1-CD1 3.94Å; F50-L53 HydrophobicContact CE1-CD2 4.49Å; F50-L53 HydrophobicContact CG-CD1 3.94Å; F50-L53 PolarHBondContact O-N 3.43Å; F50-L53 VanDerWaalsContact O-N 3.16Å; L53-A57 HydrophobicContact CD2-CB 3.95Å; L53-A57 HydrophobicContact CG-CB 4.34Å; L53-V58 HydrophobicContact CB-CG2 4.04Å; L53-V58 HydrophobicContact CD2-CG2 4.22Å
54	D	81.2	Confident	73	Confident	97 Å²	97	77.4 Å²	77.4	52%	0.519	39%	0.385	S	S	.	.			trans	-59.5	141.4	170.7	-175	2.1	0	0	0	110.1	H52 I56 A57 V58	H52-D54 PolarHBondContact O-N 3.41Å; D54-I56 PolarHBondContact O-N 3.46Å; D54-I56 PolarHBondContact OD1-N 3.16Å; D54-A57 HydrophobicContact CB-CB 4.35Å; D54-A57 WeakPolarHBondContact O-CA 3.41Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 2.98Å; D54-V58 PolarHBondContact O-N 2.93Å
55	R	83.3	Confident	73.6	Confident	117 Å²	117	78.2 Å²	78.2	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-51.4	-39.1	173.4	-71.2	-174.1	-176.3	-174.3	3.8	111.1	E31 F35 A57 V58 L59	E31-R55 VanDerWaalsContact CD-NH1 3.34Å; E31-R55 IonicContact OE1-CZ 3.82Å; E31-R55 IonicContact OE1-NH1 2.75Å; E31-R55 PolarHBondContact OE1-NH1 3.27Å; E31-R55 IonicContact OE2-NH1 3.76Å; F35-R55 HydrophobicContact CD1-CB 4.41Å; F35-R55 HydrophobicContact CD1-CG 4.23Å; F35-R55 HydrophobicContact CD2-CG 4.45Å; F35-R55 HydrophobicContact CE1-CB 3.7Å; F35-R55 HydrophobicContact CE1-CG 3.97Å; F35-R55 HydrophobicContact CE2-CB 4.37Å; F35-R55 HydrophobicContact CE2-CG 4.22Å; F35-R55 HydrophobicContact CG-CG 4.46Å; F35-R55 HydrophobicContact CZ-CB 3.68Å; F35-R55 HydrophobicContact CZ-CG 3.97Å; R55-A57 VanDerWaalsContact C-N 3.34Å; R55-A57 PolarHBondContact O-N 3.41Å; R55-V58 PolarHBondContact O-N 3.27Å; R55-L59 WeakPolarHBondContact O-CG 3.45Å; R55-L59 PolarHBondContact O-N 2.88Å
56	I	84.4	Confident	74.6	Confident	107 Å²	107	80.4 Å²	80.4	55%	0.549	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-42.7	177.7	-58.9	179.8	0	0	0	110.4	D54 L59 R60	D54-I56 PolarHBondContact O-N 3.46Å; D54-I56 PolarHBondContact OD1-N 3.16Å; I56-L59 PolarHBondContact O-N 3.37Å; I56-R60 HydrophobicContact CG2-CG 4.44Å; I56-R60 VanDerWaalsContact O-CG 3.23Å; I56-R60 WeakPolarHBondContact O-CG 3.33Å; I56-R60 PolarHBondContact O-N 2.95Å
57	A	80.2	Confident	75.6	Confident	30 Å²	30	74 Å²	74	25%	0.248	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-44.2	178.2	0	0	0	0	0	111.8	L53 D54 R55 L59 R60 V61	L53-A57 HydrophobicContact CD2-CB 3.95Å; L53-A57 HydrophobicContact CG-CB 4.34Å; D54-A57 HydrophobicContact CB-CB 4.35Å; D54-A57 WeakPolarHBondContact O-CA 3.41Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 2.98Å; R55-A57 VanDerWaalsContact C-N 3.34Å; R55-A57 PolarHBondContact O-N 3.41Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.34Å; A57-R60 WeakPolarHBondContact O-CB 3.34Å; A57-R60 PolarHBondContact O-N 2.9Å; A57-R60 VanDerWaalsContact O-N 3.16Å; A57-V61 PolarHBondContact O-N 3.45Å
58	V	81.3	Confident	76.3	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.03	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-45.9	175.8	178.1	0	0	0	0	111.2	F35 L38 L42 L53 D54 R55 R60 V61 A62	F35-V58 HydrophobicContact CD1-CG1 4.34Å; F35-V58 HydrophobicContact CE1-CB 4.47Å; L38-V58 HydrophobicContact CD2-CG1 3.93Å; L38-V58 HydrophobicContact CG-CG1 4.18Å; L42-V58 HydrophobicContact CD1-CG1 3.79Å; L53-V58 HydrophobicContact CB-CG2 4.04Å; L53-V58 HydrophobicContact CD2-CG2 4.22Å; D54-V58 PolarHBondContact O-N 2.93Å; R55-V58 PolarHBondContact O-N 3.27Å; V58-R60 VanDerWaalsContact C-N 3.31Å; V58-R60 PolarHBondContact O-N 3.36Å; V58-V61 PolarHBondContact O-N 2.96Å; V58-A62 PolarHBondContact O-N 3.02Å
59	L	85.6	Confident	77.4	Confident	83 Å²	83	73.3 Å²	73.3	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-38.6	176.8	-70.5	177	0	0	0	112.2	F35 L38 R55 I56 A57 A62 V63	F35-L59 HydrophobicContact CE1-CD1 4.39Å; F35-L59 HydrophobicContact CE1-CD2 4Å; F35-L59 HydrophobicContact CE1-CG 3.83Å; F35-L59 HydrophobicContact CZ-CD1 3.93Å; F35-L59 HydrophobicContact CZ-CD2 4.01Å; F35-L59 HydrophobicContact CZ-CG 3.86Å; L38-L59 HydrophobicContact CD2-CD2 4.08Å; R55-L59 WeakPolarHBondContact O-CG 3.45Å; R55-L59 PolarHBondContact O-N 2.88Å; I56-L59 PolarHBondContact O-N 3.37Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.34Å; L59-A62 PolarHBondContact O-N 2.84Å; L59-V63 WeakPolarHBondContact O-CG2 3.43Å; L59-V63 PolarHBondContact O-N 2.97Å
60	R	83.1	Confident	78.3	Confident	60 Å²	60	72.1 Å²	72.1	23%	0.226	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-45.2	176.8	-72.1	171.9	74.7	-162.3	3.4	111.3	I56 A57 V58 A62 V63 A64 C144 A145	I56-R60 HydrophobicContact CG2-CG 4.44Å; I56-R60 VanDerWaalsContact O-CG 3.23Å; I56-R60 WeakPolarHBondContact O-CG 3.33Å; I56-R60 PolarHBondContact O-N 2.95Å; A57-R60 WeakPolarHBondContact O-CB 3.34Å; A57-R60 PolarHBondContact O-N 2.9Å; A57-R60 VanDerWaalsContact O-N 3.16Å; V58-R60 VanDerWaalsContact C-N 3.31Å; V58-R60 PolarHBondContact O-N 3.36Å; R60-A62 VanDerWaalsContact C-N 3.35Å; R60-V63 PolarHBondContact O-N 3.41Å; R60-A64 WeakPolarHBondContact O-CB 3.35Å; R60-A64 PolarHBondContact O-N 2.86Å; R60-C144 VanDerWaalsContact CZ-O 3.25Å; R60-C144 PolarHBondContact NE-SG 2.87Å; R60-C144 VanDerWaalsContact NE-SG 3.42Å; R60-C144 PolarHBondContact NH1-O 3.34Å; R60-C144 VanDerWaalsContact NH1-O 3.11Å; R60-C144 VanDerWaalsContact NH2-C 3.34Å; R60-C144 PolarHBondContact NH2-O 3.48Å; R60-C144 PolarHBondContact NH2-SG 3.44Å; R60-A145 PolarHBondContact NH2-O 2.99Å
61	V	79.3	Confident	78.9	Confident	16 Å²	16	73.7 Å²	73.7	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-63.2	-42.2	175	179.7	0	0	0	0	110.9	L42 L44 A57 V58 V63 A64 M65	L42-V61 HydrophobicContact CD1-CB 4.37Å; L42-V61 HydrophobicContact CD1-CG1 4.32Å; L42-V61 HydrophobicContact CD2-CG1 4.44Å; L44-V61 HydrophobicContact CD2-CG1 4.14Å; L44-V61 HydrophobicContact CD2-CG2 4.34Å; A57-V61 PolarHBondContact O-N 3.45Å; V58-V61 PolarHBondContact O-N 2.96Å; V61-V63 PolarHBondContact O-N 3.15Å; V61-A64 PolarHBondContact O-N 3.39Å; V61-M65 HydrophobicContact CG1-CG 4.32Å; V61-M65 WeakPolarHBondContact O-CB 3.37Å; V61-M65 WeakPolarHBondContact O-CG 3.47Å; V61-M65 PolarHBondContact O-N 2.97Å
62	A	84.9	Confident	79.5	Confident	13 Å²	13	67.5 Å²	67.5	11%	0.107	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-46.3	177.3	0	0	0	0	0	112.7	L38 L42 V58 L59 R60 M65 C66	L38-A62 HydrophobicContact CD1-CB 4.02Å; L38-A62 HydrophobicContact CD2-CB 4.13Å; L38-A62 HydrophobicContact CG-CB 4.44Å; L42-A62 HydrophobicContact CD1-CB 4.15Å; L42-A62 HydrophobicContact CD2-CB 3.94Å; V58-A62 PolarHBondContact O-N 3.02Å; L59-A62 PolarHBondContact O-N 2.84Å; R60-A62 VanDerWaalsContact C-N 3.35Å; A62-M65 PolarHBondContact O-N 2.96Å; A62-C66 PolarHBondContact O-N 3.41Å; A62-C66 PolarHBondContact O-SG 3.47Å; A62-C66 VanDerWaalsContact O-SG 3.34Å
63	V	85	Confident	79.8	Confident	73 Å²	73	61.2 Å²	61.2	44%	0.442	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-43.1	176.6	171.8	0	0	0	0	111.1	L59 R60 V61 C66 R67	L59-V63 WeakPolarHBondContact O-CG2 3.43Å; L59-V63 PolarHBondContact O-N 2.97Å; R60-V63 PolarHBondContact O-N 3.41Å; V61-V63 PolarHBondContact O-N 3.15Å; V63-C66 PolarHBondContact O-N 2.79Å; V63-R67 WeakPolarHBondContact O-CG 3.49Å; V63-R67 PolarHBondContact O-N 3.21Å
64	A	81.6	Confident	79.7	Confident	13 Å²	13	63.2 Å²	63.2	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-47.4	176.2	0	0	0	0	0	111.5	R60 V61 C66 R67 L68 V115	R60-A64 WeakPolarHBondContact O-CB 3.35Å; R60-A64 PolarHBondContact O-N 2.86Å; V61-A64 PolarHBondContact O-N 3.39Å; A64-C66 PolarHBondContact O-N 3.4Å; A64-R67 WeakPolarHBondContact O-CB 3Å; A64-R67 PolarHBondContact O-N 3.36Å; A64-R67 VanDerWaalsContact O-N 3.15Å; A64-L68 PolarHBondContact O-N 3.19Å; A64-V115 HydrophobicContact CB-CG1 4.37Å; A64-V115 WeakPolarHBondContact O-CG1 3.44Å
65	M	81.2	Confident	78.8	Confident	43 Å²	43	64 Å²	64	21%	0.212	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-41.6	177.1	-76.2	-63.6	-63.8	0	0	113	L42 P43 V61 A62 R67 L68 R69	L42-M65 HydrophobicContact CD2-CB 4.38Å; L42-M65 HydrophobicContact CD2-CG 4.21Å; P43-M65 HydrophobicContact CG-CE 3.75Å; P43-M65 HydrophobicContact CG-CG 4.43Å; P43-M65 HydrophobicContact CG-SD 3.84Å; V61-M65 HydrophobicContact CG1-CG 4.32Å; V61-M65 WeakPolarHBondContact O-CB 3.37Å; V61-M65 WeakPolarHBondContact O-CG 3.47Å; V61-M65 PolarHBondContact O-N 2.97Å; A62-M65 PolarHBondContact O-N 2.96Å; M65-R67 VanDerWaalsContact C-N 3.3Å; M65-R67 PolarHBondContact O-N 3.17Å; M65-L68 PolarHBondContact O-N 2.81Å; M65-L68 HydrophobicContact SD-CD1 4.08Å; M65-R69 WeakPolarHBondContact O-CB 3.5Å; M65-R69 WeakPolarHBondContact O-CG 3.45Å; M65-R69 PolarHBondContact O-N 2.98Å
66	C	83.5	Confident	77.6	Confident	87 Å²	87	64.4 Å²	64.4	59%	0.588	35%	0.348	S	S	*	.	H	α-helix	trans	-61.6	-39.7	174.7	-72.8	0	0	0	0	111.8	A62 V63 A64 R69 A70	A62-C66 PolarHBondContact O-N 3.41Å; A62-C66 PolarHBondContact O-SG 3.47Å; A62-C66 VanDerWaalsContact O-SG 3.34Å; V63-C66 PolarHBondContact O-N 2.79Å; A64-C66 PolarHBondContact O-N 3.4Å; C66-R69 PolarHBondContact O-N 3.34Å; C66-A70 PolarHBondContact O-N 3.15Å
67	R	82.1	Confident	76.2	Confident	68 Å²	68	69.5 Å²	69.5	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-69.3	-43.1	176.8	-71.4	174.2	176.2	-157.1	-6.4	112.4	V63 A64 M65 R69 A70 V71 D109 V115	V63-R67 WeakPolarHBondContact O-CG 3.49Å; V63-R67 PolarHBondContact O-N 3.21Å; A64-R67 WeakPolarHBondContact O-CB 3Å; A64-R67 PolarHBondContact O-N 3.36Å; A64-R67 VanDerWaalsContact O-N 3.15Å; M65-R67 VanDerWaalsContact C-N 3.3Å; M65-R67 PolarHBondContact O-N 3.17Å; R67-R69 VanDerWaalsContact C-N 3.29Å; R67-R69 PolarHBondContact O-N 2.95Å; R67-A70 PolarHBondContact O-N 3.04Å; R67-A70 VanDerWaalsContact O-N 3.17Å; R67-V71 WeakPolarHBondContact O-CG2 3.5Å; R67-V71 PolarHBondContact O-N 3.05Å; R67-D109 IonicContact CZ-OD2 3.46Å; R67-D109 IonicContact NH1-OD2 2.63Å; R67-D109 PolarHBondContact NH1-OD2 3.34Å; R67-V115 HydrophobicContact CB-CG1 4.37Å
68	L	76.9	Confident	74.9	Confident	30 Å²	30	75.4 Å²	75.4	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-54.5	-50.4	172.1	-73.9	174.1	0	0	0	110.3	A64 M65 A70 V71 T72 I107 V115	A64-L68 PolarHBondContact O-N 3.19Å; M65-L68 PolarHBondContact O-N 2.81Å; M65-L68 HydrophobicContact SD-CD1 4.08Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.39Å; L68-V71 PolarHBondContact O-N 3.45Å; L68-T72 WeakPolarHBondContact O-CB 3Å; L68-T72 WeakPolarHBondContact O-CG2 3.36Å; L68-T72 PolarHBondContact O-N 3.08Å; L68-T72 PolarHBondContact O-OG1 3.11Å; L68-I107 HydrophobicContact CD2-CD1 4.08Å; L68-I107 HydrophobicContact CD2-CG2 4.45Å; L68-V115 HydrophobicContact CB-CG1 4.42Å; L68-V115 HydrophobicContact CD1-CG1 4.19Å; L68-V115 HydrophobicContact CD2-CB 4.3Å; L68-V115 HydrophobicContact CD2-CG1 3.33Å; L68-V115 HydrophobicContact CG-CG1 3.33Å
69	R	80.1	Confident	73.2	Confident	150 Å²	150	77.2 Å²	77.2	57%	0.566	40%	0.402	S	S	*	.	H	α-helix	trans	-61.3	-37.1	179.5	-74.6	179.6	175.2	175.9	0.3	112.6	M65 C66 R67 T72 A73	M65-R69 WeakPolarHBondContact O-CB 3.5Å; M65-R69 WeakPolarHBondContact O-CG 3.45Å; M65-R69 PolarHBondContact O-N 2.98Å; C66-R69 PolarHBondContact O-N 3.34Å; R67-R69 VanDerWaalsContact C-N 3.29Å; R67-R69 PolarHBondContact O-N 2.95Å; R69-T72 WeakPolarHBondContact CA-OG1 3.44Å; R69-T72 PolarHBondContact O-OG1 3.3Å; R69-A73 WeakPolarHBondContact O-CA 3.45Å; R69-A73 WeakPolarHBondContact O-CB 3.48Å; R69-A73 PolarHBondContact O-N 3.3Å
70	A	79.1	Confident	71.5	Confident	54 Å²	54	80.7 Å²	80.7	45%	0.446	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-44.1	176	0	0	0	0	0	111.9	C66 R67 L68 N74	C66-A70 PolarHBondContact O-N 3.15Å; R67-A70 PolarHBondContact O-N 3.04Å; R67-A70 VanDerWaalsContact O-N 3.17Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.39Å; A70-N74 VanDerWaalsContact O-CG 3.23Å; A70-N74 PolarHBondContact O-N 3.49Å; A70-N74 VanDerWaalsContact O-N 3.15Å; A70-N74 PolarHBondContact O-ND2 3.27Å
71	V	72.9	Confident	69.8	Low	83 Å²	83	80.8 Å²	80.8	50%	0.503	43%	0.426	S	S	.	.	H	α-helix	trans	-66.2	-49.9	177.4	175.5	0	0	0	0	110.4	R67 L68 N74 M75	R67-V71 WeakPolarHBondContact O-CG2 3.5Å; R67-V71 PolarHBondContact O-N 3.05Å; L68-V71 PolarHBondContact O-N 3.45Å; V71-N74 WeakPolarHBondContact O-CB 3.49Å; V71-N74 PolarHBondContact O-N 3.2Å; V71-M75 HydrophobicContact CG1-CE 4.26Å; V71-M75 WeakPolarHBondContact O-CG 3.24Å; V71-M75 PolarHBondContact O-N 2.75Å
72	T	72.2	Confident	68.4	Low	59 Å²	59	85.3 Å²	85.3	36%	0.362	46%	0.455	S	S	.	.	H	α-helix	trans	-67	-39.2	-179.2	59.2	0	0	0	0	111.9	L68 R69 N74 M75 F76	L68-T72 WeakPolarHBondContact O-CB 3Å; L68-T72 WeakPolarHBondContact O-CG2 3.36Å; L68-T72 PolarHBondContact O-N 3.08Å; L68-T72 PolarHBondContact O-OG1 3.11Å; R69-T72 WeakPolarHBondContact CA-OG1 3.44Å; R69-T72 PolarHBondContact O-OG1 3.3Å; T72-N74 VanDerWaalsContact C-N 3.26Å; T72-N74 PolarHBondContact O-N 3.25Å; T72-M75 CarbonylContact O-C 3.58Å; T72-M75 WeakPolarHBondContact O-CA 3.32Å; T72-M75 WeakPolarHBondContact O-CB 3.21Å; T72-M75 PolarHBondContact O-N 2.86Å; T72-F76 WeakPolarHBondContact O-CD2 3.44Å; T72-F76 PolarHBondContact O-N 3.11Å
73	A	71.3	Confident	66.9	Low	38 Å²	38	87.4 Å²	87.4	31%	0.314	46%	0.464	S	S	.	.	H	α-helix	trans	-60.5	-37.3	174.1	0	0	0	0	0	111.8	R69 M75 F76 R77	R69-A73 WeakPolarHBondContact O-CA 3.45Å; R69-A73 WeakPolarHBondContact O-CB 3.48Å; R69-A73 PolarHBondContact O-N 3.3Å; A73-M75 VanDerWaalsContact C-N 3.33Å; A73-F76 PolarHBondContact O-N 3.13Å; A73-R77 VanDerWaalsContact O-CB 3.24Å; A73-R77 WeakPolarHBondContact O-CB 3.35Å; A73-R77 WeakPolarHBondContact O-CG 3.47Å; A73-R77 PolarHBondContact O-N 3.29Å
74	N	65.1	Low	65.5	Low	101 Å²	101	90.2 Å²	90.2	54%	0.54	48%	0.476	S	S	.	.	H	α-helix	trans	-67.4	-34.4	174.1	-71	-13.7	0	0	0	112.2	A70 V71 T72	A70-N74 VanDerWaalsContact O-CG 3.23Å; A70-N74 PolarHBondContact O-N 3.49Å; A70-N74 VanDerWaalsContact O-N 3.15Å; A70-N74 PolarHBondContact O-ND2 3.27Å; V71-N74 WeakPolarHBondContact O-CB 3.49Å; V71-N74 PolarHBondContact O-N 3.2Å; T72-N74 VanDerWaalsContact C-N 3.26Å; T72-N74 PolarHBondContact O-N 3.25Å
75	M	61.3	Low	63.9	Low	113 Å²	113	96.1 Å²	96.1	56%	0.557	51%	0.513	S	S	*	.	H	α-helix	trans	-69.8	-40.9	174	-61.2	-60.1	159.3	0	0	112.2	V71 T72 A73	V71-M75 HydrophobicContact CG1-CE 4.26Å; V71-M75 WeakPolarHBondContact O-CG 3.24Å; V71-M75 PolarHBondContact O-N 2.75Å; T72-M75 CarbonylContact O-C 3.58Å; T72-M75 WeakPolarHBondContact O-CA 3.32Å; T72-M75 WeakPolarHBondContact O-CB 3.21Å; T72-M75 PolarHBondContact O-N 2.86Å; A73-M75 VanDerWaalsContact C-N 3.33Å
76	F	57.8	Low	62.8	Low	127 Å²	127	97.8 Å²	97.8	56%	0.557	54%	0.542	S	S	*	.	H	α-helix	trans	-81.1	-24.8	-178	-70.6	-63.9	0	0	0	113.7	T72 A73 Q78	T72-F76 WeakPolarHBondContact O-CD2 3.44Å; T72-F76 PolarHBondContact O-N 3.11Å; A73-F76 PolarHBondContact O-N 3.13Å; F76-Q78 PolarHBondContact O-N 3.04Å
77	R	56	Low	61.5	Low	213 Å²	213	95.6 Å²	95.6	80%	0.804	53%	0.527	S	S	*	.	H	α-helix	trans	-69.5	-18.9	174.5	-81.8	-177.7	-176.3	-149.8	3.1	113	A73 G79	A73-R77 VanDerWaalsContact O-CB 3.24Å; A73-R77 WeakPolarHBondContact O-CB 3.35Å; A73-R77 WeakPolarHBondContact O-CG 3.47Å; A73-R77 PolarHBondContact O-N 3.29Å; R77-G79 PolarHBondContact O-N 3.37Å; R77-G79 VanDerWaalsContact O-N 3.08Å
78	Q	53.3	Low	60.2	Low	155 Å²	155	98.9 Å²	98.9	72%	0.724	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	25.3	176.8	-65.6	-174.6	12.4	0	0	113	F76	F76-Q78 PolarHBondContact O-N 3.04Å
79	G	44.4	Very low	59.5	Low	42 Å²	42	105.1 Å²	105.1	43%	0.433	58%	0.576	S	S	.	*	S	Bend	trans	65.4	175.5	-161.8	0	0	0	0	0	109.4	R77 S81	R77-G79 PolarHBondContact O-N 3.37Å; R77-G79 VanDerWaalsContact O-N 3.08Å; G79-S81 PolarHBondContact O-N 2.9Å
80	H	50.4	Low	58.8	Low	156 Å²	156	104.5 Å²	104.5	72%	0.722	57%	0.574	S	S	*	*	S	Bend	trans	-54.4	109	164.1	-62.6	143.3	0	0	0	107.1	P82	H80-P82 WeakPolarHBondContact O-CD 3.39Å
81	S	48.4	Very low	58.1	Low	63 Å²	63	108.3 Å²	108.3	44%	0.441	58%	0.578	S	S	.	*			trans	-49	119	167.5	-173.3	0	0	0	0	104.7	G79 L83	G79-S81 PolarHBondContact O-N 2.9Å; S81-L83 PolarHBondContact O-N 3.4Å; S81-L83 VanDerWaalsContact O-N 3.1Å
82	P	49.1	Very low	57.7	Low	111 Å²	111	108.3 Å²	108.3	72%	0.721	58%	0.575	S	S	*	*			trans	-54.2	129	-177.1	20.9	-30.2	0	0	0	105.8	H80 L84	H80-P82 WeakPolarHBondContact O-CD 3.39Å; P82-L84 PolarHBondContact O-N 2.98Å
83	L	52.9	Low	57.3	Low	56 Å²	56	108.7 Å²	108.7	29%	0.293	57%	0.572	S	S	.	*			trans	-43	130.9	171.4	-71.4	167.2	0	0	0	107.2	S81 C87 T88 R89 W90	S81-L83 PolarHBondContact O-N 3.4Å; S81-L83 VanDerWaalsContact O-N 3.1Å; L83-C87 HydrophobicContact CB-CB 3.72Å; L83-C87 WeakPolarHBondContact CB-O 3.42Å; L83-C87 VanDerWaalsContact CD1-O 3.31Å; L83-C87 WeakPolarHBondContact CD1-O 3.44Å; L83-C87 HydrophobicContact CD2-CB 4.17Å; L83-C87 HydrophobicContact CG-CB 4.43Å; L83-T88 VanDerWaalsContact CD1-C 3.41Å; L83-R89 WeakPolarHBondContact CD2-O 3.5Å; L83-W90 HydrophobicContact CD2-CD2 3.92Å; L83-W90 HydrophobicContact CD2-CE3 4.36Å; L83-W90 HydrophobicContact CD2-CG 4.12Å; L83-W90 HydrophobicContact CD2-CZ2 4.4Å
84	L	56.3	Low	57.1	Low	133 Å²	133	114.4 Å²	114.4	70%	0.696	59%	0.593	S	S	*	*			trans	-43.3	140.8	179.1	-78.2	164.9	0	0	0	109	P82 G86 C87	P82-L84 PolarHBondContact O-N 2.98Å; L84-G86 PolarHBondContact O-N 3.19Å; L84-C87 WeakPolarHBondContact O-CB 3.36Å; L84-C87 PolarHBondContact O-N 3.19Å
85	P	48.5	Very low	57.5	Low	136 Å²	136	112.1 Å²	112.1	88%	0.883	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.1	113.5	-178.2	-25.6	32.4	0	0	0	110.7
86	G	57.9	Low	57.8	Low	79 Å²	79	109.5 Å²	109.5	81%	0.814	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	107	-11.5	-174.7	0	0	0	0	0	116.3	L84	L84-G86 PolarHBondContact O-N 3.19Å
87	C	55.6	Low	58.2	Low	40 Å²	40	104.5 Å²	104.5	27%	0.27	55%	0.549	S	S	.	.			trans	-87.6	123.8	171.4	-74.9	0	0	0	0	109.9	L83 L84	L83-C87 HydrophobicContact CB-CB 3.72Å; L83-C87 WeakPolarHBondContact CB-O 3.42Å; L83-C87 VanDerWaalsContact CD1-O 3.31Å; L83-C87 WeakPolarHBondContact CD1-O 3.44Å; L83-C87 HydrophobicContact CD2-CB 4.17Å; L83-C87 HydrophobicContact CG-CB 4.43Å; L84-C87 WeakPolarHBondContact O-CB 3.36Å; L84-C87 PolarHBondContact O-N 3.19Å
88	T	54.3	Low	59.1	Low	138 Å²	138	102.2 Å²	102.2	85%	0.847	55%	0.548	S	S	*	.			trans	-98.5	-14.2	-179	53.1	0	0	0	0	113	L83	L83-T88 VanDerWaalsContact CD1-C 3.41Å
89	R	63.5	Low	59.9	Low	160 Å²	160	100.9 Å²	100.9	60%	0.604	55%	0.545	S	S	*	.	S	Bend	trans	-152.1	157.7	-178.6	-169	-177.9	160.9	168.7	-5.5	110.8	L83	L83-R89 WeakPolarHBondContact CD2-O 3.5Å
90	W	64.9	Low	61.1	Low	137 Å²	137	102.3 Å²	102.3	52%	0.519	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-71.4	133.4	165.9	-62.9	93.5	0	0	0	110.5	L83	L83-W90 HydrophobicContact CD2-CD2 3.92Å; L83-W90 HydrophobicContact CD2-CE3 4.36Å; L83-W90 HydrophobicContact CD2-CG 4.12Å; L83-W90 HydrophobicContact CD2-CZ2 4.4Å
91	Y	64.4	Low	62.1	Low	134 Å²	134	102.6 Å²	102.6	53%	0.525	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-81.1	130.1	174.8	-63.8	-76.5	0	0	0	110.3	D95	Y91-D95 WeakPolarHBondContact CA-OD2 3.33Å; Y91-D95 HydrophobicContact CD1-CB 3.77Å; Y91-D95 HydrophobicContact CG-CB 4.44Å
92	N	64.1	Low	62.8	Low	84 Å²	84	100.9 Å²	100.9	45%	0.449	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-80	171.5	170.4	-70.5	-32.7	0	0	0	110.4	E94 D95 L96	N92-E94 PolarHBondContact O-N 3.07Å; N92-D95 PolarHBondContact N-OD2 2.99Å; N92-D95 PolarHBondContact O-N 2.84Å; N92-L96 WeakPolarHBondContact O-CG 3.45Å; N92-L96 PolarHBondContact O-N 3.37Å; N92-L96 VanDerWaalsContact O-N 3.07Å
93	E	64.7	Low	63.3	Low	66 Å²	66	97.6 Å²	97.6	31%	0.308	52%	0.524	S	S	.	.	H	α-helix	trans	-59.2	-34.9	176.5	-164.2	-176.6	164.1	0	0	112.3	L96 S97 Y116 S118 S119	E93-L96 PolarHBondContact O-N 3.07Å; E93-S97 WeakPolarHBondContact O-CB 3.5Å; E93-S97 PolarHBondContact O-N 3.39Å; E93-S97 PolarHBondContact O-OG 3.28Å; E93-Y116 PolarHBondContact OE1-OH 3.08Å; E93-Y116 PolarHBondContact OE2-OH 3.46Å; E93-S118 WeakPolarHBondContact OE1-CA 3.47Å; E93-S118 PolarHBondContact OE1-OG 3.43Å; E93-S119 VanDerWaalsContact OE1-CB 3.31Å; E93-S119 WeakPolarHBondContact OE1-CB 3.42Å; E93-S119 PolarHBondContact OE1-N 2.84Å; E93-S119 PolarHBondContact OE1-OG 3.47Å
94	E	67.4	Low	63.9	Low	158 Å²	158	97.2 Å²	97.2	74%	0.738	52%	0.524	S	S	*	.	H	α-helix	trans	-63.7	-48.1	176.5	-66.1	172.5	-175.4	0	0	111.3	N92 L96 S97 E98	N92-E94 PolarHBondContact O-N 3.07Å; E94-L96 VanDerWaalsContact C-N 3.29Å; E94-L96 PolarHBondContact O-N 3.44Å; E94-S97 PolarHBondContact O-N 3.22Å; E94-S97 VanDerWaalsContact O-N 3.11Å; E94-E98 PolarHBondContact O-N 3Å
95	D	71.7	Confident	64.4	Low	53 Å²	53	93.9 Å²	93.9	28%	0.283	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-40.2	178.1	-51.1	-42.7	0	0	0	111.3	Y91 N92 S97 L99	Y91-D95 WeakPolarHBondContact CA-OD2 3.33Å; Y91-D95 HydrophobicContact CD1-CB 3.77Å; Y91-D95 HydrophobicContact CG-CB 4.44Å; N92-D95 PolarHBondContact N-OD2 2.99Å; N92-D95 PolarHBondContact O-N 2.84Å; D95-S97 VanDerWaalsContact C-N 3.34Å; D95-L99 WeakPolarHBondContact O-CB 3.35Å; D95-L99 PolarHBondContact O-N 3.22Å
96	L	68	Low	65.4	Low	59 Å²	59	91.7 Å²	91.7	31%	0.309	48%	0.484	S	S	.	.	H	α-helix	trans	-68.2	-34.3	176.8	-72.2	176.6	0	0	0	112.2	N92 E93 E94 L100 F105	N92-L96 WeakPolarHBondContact O-CG 3.45Å; N92-L96 PolarHBondContact O-N 3.37Å; N92-L96 VanDerWaalsContact O-N 3.07Å; E93-L96 PolarHBondContact O-N 3.07Å; E94-L96 VanDerWaalsContact C-N 3.29Å; E94-L96 PolarHBondContact O-N 3.44Å; L96-L100 WeakPolarHBondContact O-CA 3.27Å; L96-L100 PolarHBondContact O-N 2.9Å; L96-F105 HydrophobicContact CB-CE2 3.67Å; L96-F105 HydrophobicContact CB-CZ 3.81Å; L96-F105 HydrophobicContact CD1-CZ 4.5Å; L96-F105 HydrophobicContact CD2-CZ 4.15Å; L96-F105 HydrophobicContact CG-CZ 4.38Å; L96-F105 WeakPolarHBondContact O-CE2 3.37Å
97	S	67.7	Low	66	Low	22 Å²	22	92 Å²	92	15%	0.154	47%	0.466	C	S	.	.	H	α-helix	trans	-71.8	-38.4	178.5	-59.8	0	0	0	0	111.5	E93 E94 D95 D101 G102 S120	E93-S97 WeakPolarHBondContact O-CB 3.5Å; E93-S97 PolarHBondContact O-N 3.39Å; E93-S97 PolarHBondContact O-OG 3.28Å; E94-S97 PolarHBondContact O-N 3.22Å; E94-S97 VanDerWaalsContact O-N 3.11Å; D95-S97 VanDerWaalsContact C-N 3.34Å; S97-D101 PolarHBondContact O-N 3.43Å; S97-G102 PolarHBondContact O-N 2.85Å; S97-S120 PolarHBondContact OG-OG 2.97Å
98	E	73.3	Confident	67	Low	165 Å²	165	93.7 Å²	93.7	77%	0.771	48%	0.475	S	S	*	.	H	α-helix	trans	-67.5	-46.1	174.8	-171.1	175.3	-176.2	0	0	111.4	E94 L100 D101	E94-E98 PolarHBondContact O-N 3Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 2.76Å; E98-D101 PolarHBondContact O-N 3.37Å
99	L	71.1	Confident	68	Low	126 Å²	126	89.7 Å²	89.7	66%	0.66	45%	0.448	S	S	*	.	H	α-helix	trans	-65.3	-36.5	176.1	-172.8	65.7	0	0	0	112.4	D95 D101	D95-L99 WeakPolarHBondContact O-CB 3.35Å; D95-L99 PolarHBondContact O-N 3.22Å; L99-D101 VanDerWaalsContact C-N 3.3Å; L99-D101 PolarHBondContact O-N 3.45Å
100	L	70	Confident	68.6	Low	73 Å²	73	90.4 Å²	90.4	38%	0.382	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-26.7	167.1	1.6	167.8	0	0	0	119.6	L96 E98 G102 A103 F105	L96-L100 WeakPolarHBondContact O-CA 3.27Å; L96-L100 PolarHBondContact O-N 2.9Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 2.76Å; L100-G102 PolarHBondContact O-N 3.46Å; L100-A103 HydrophobicContact CB-CB 3.59Å; L100-A103 HydrophobicContact CD1-CB 4.3Å; L100-A103 VanDerWaalsContact O-CB 3.25Å; L100-A103 WeakPolarHBondContact O-CB 3.31Å; L100-A103 PolarHBondContact O-N 3.09Å; L100-F105 HydrophobicContact CB-CE2 4.36Å; L100-F105 HydrophobicContact CB-CZ 4.25Å; L100-F105 HydrophobicContact CD1-CD1 4.16Å; L100-F105 HydrophobicContact CD1-CE1 3.19Å; L100-F105 HydrophobicContact CD1-CE2 3.65Å; L100-F105 HydrophobicContact CD1-CZ 2.93Å; L100-F105 HydrophobicContact CG-CE1 4.15Å; L100-F105 HydrophobicContact CG-CE2 3.97Å; L100-F105 HydrophobicContact CG-CZ 3.41Å; L100-F105 VanDerWaalsContact CG-CZ 3.41Å
101	D	70.4	Confident	69.1	Low	161 Å²	161	92.6 Å²	92.6	86%	0.861	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	44.5	-157.7	-160.5	20.2	0	0	0	111.9	S97 E98 L99 A103	S97-D101 PolarHBondContact O-N 3.43Å; E98-D101 PolarHBondContact O-N 3.37Å; L99-D101 VanDerWaalsContact C-N 3.3Å; L99-D101 PolarHBondContact O-N 3.45Å; D101-A103 VanDerWaalsContact C-N 3.3Å; D101-A103 PolarHBondContact O-N 3.29Å
102	G	63.1	Low	69.2	Low	27 Å²	27	90 Å²	90	28%	0.278	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	6.9	-177.2	0	0	0	0	0	115.3	S97 L100 T124	S97-G102 PolarHBondContact O-N 2.85Å; L100-G102 PolarHBondContact O-N 3.46Å; G102-T124 WeakPolarHBondContact O-CG2 3.33Å
103	A	60.7	Low	69.5	Low	42 Å²	42	88.3 Å²	88.3	35%	0.347	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-61.6	144.3	180	0	0	0	0	0	112.9	L100 D101	L100-A103 HydrophobicContact CB-CB 3.59Å; L100-A103 HydrophobicContact CD1-CB 4.3Å; L100-A103 VanDerWaalsContact O-CB 3.25Å; L100-A103 WeakPolarHBondContact O-CB 3.31Å; L100-A103 PolarHBondContact O-N 3.09Å; D101-A103 VanDerWaalsContact C-N 3.3Å; D101-A103 PolarHBondContact O-N 3.29Å
104	V	64.3	Low	69.7	Low	49 Å²	49	86.6 Å²	86.6	30%	0.297	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-78.8	122.8	-178.4	160.5	0	0	0	0	110.7	L106 V121 T124	V104-L106 HydrophobicContact CG1-CD1 4.3Å; V104-L106 HydrophobicContact CG1-CD2 4.04Å; V104-L106 HydrophobicContact CG1-CG 3.79Å; V104-V121 HydrophobicContact CB-CG2 3.68Å; V104-V121 HydrophobicContact CG1-CB 4.47Å; V104-V121 HydrophobicContact CG1-CG2 3.06Å; V104-V121 HydrophobicContact CG2-CB 4.17Å; V104-V121 HydrophobicContact CG2-CG2 3.38Å; V104-T124 WeakPolarHBondContact CG2-OG1 3.43Å
105	F	66.6	Low	69.8	Low	63 Å²	63	80 Å²	80	28%	0.276	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-94.1	128.5	166.4	-62.3	-89.4	0	0	0	111.6	L96 L100 S118	L96-F105 HydrophobicContact CB-CE2 3.67Å; L96-F105 HydrophobicContact CB-CZ 3.81Å; L96-F105 HydrophobicContact CD1-CZ 4.5Å; L96-F105 HydrophobicContact CD2-CZ 4.15Å; L96-F105 HydrophobicContact CG-CZ 4.38Å; L96-F105 WeakPolarHBondContact O-CE2 3.37Å; L100-F105 HydrophobicContact CB-CE2 4.36Å; L100-F105 HydrophobicContact CB-CZ 4.25Å; L100-F105 HydrophobicContact CD1-CD1 4.16Å; L100-F105 HydrophobicContact CD1-CE1 3.19Å; L100-F105 HydrophobicContact CD1-CE2 3.65Å; L100-F105 HydrophobicContact CD1-CZ 2.93Å; L100-F105 HydrophobicContact CG-CE1 4.15Å; L100-F105 HydrophobicContact CG-CE2 3.97Å; L100-F105 HydrophobicContact CG-CZ 3.41Å; L100-F105 VanDerWaalsContact CG-CZ 3.41Å; F105-S118 PolarHBondContact O-N 2.9Å
106	L	70.9	Confident	69.7	Low	89 Å²	89	80.8 Å²	80.8	47%	0.466	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.7	172.2	-61.6	171.6	0	0	0	108.5	V104 V108 I114 Y116 V117	V104-L106 HydrophobicContact CG1-CD1 4.3Å; V104-L106 HydrophobicContact CG1-CD2 4.04Å; V104-L106 HydrophobicContact CG1-CG 3.79Å; L106-V108 HydrophobicContact CB-CG2 4.06Å; L106-I114 HydrophobicContact CD2-CG2 4.22Å; L106-Y116 WeakPolarHBondContact CA-O 3.48Å; L106-V117 HydrophobicContact CD2-CB 4.13Å; L106-V117 HydrophobicContact CD2-CG1 3.8Å; L106-V117 HydrophobicContact CD2-CG2 3.76Å
107	I	70.1	Confident	69.7	Low	86 Å²	86	78.7 Å²	78.7	44%	0.441	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.5	165.5	-56.6	179.4	0	0	0	106.3	L68 V115 Y116	L68-I107 HydrophobicContact CD2-CD1 4.08Å; L68-I107 HydrophobicContact CD2-CG2 4.45Å; I107-V115 HydrophobicContact CB-CB 4.43Å; I107-V115 HydrophobicContact CG2-CB 4.17Å; I107-V115 WeakPolarHBondContact O-CA 3.31Å; I107-V115 WeakPolarHBondContact O-CB 3.45Å; I107-V115 PolarHBondContact O-N 3.36Å; I107-Y116 HydrophobicContact CD1-CD1 3.94Å; I107-Y116 HydrophobicContact CD1-CG 4.17Å; I107-Y116 HydrophobicContact CG1-CD1 4.01Å; I107-Y116 HydrophobicContact CG1-CG 4.43Å; I107-Y116 PolarHBondContact N-O 2.93Å; I107-Y116 PolarHBondContact O-N 3.43Å
108	V	76.5	Confident	69.8	Low	76 Å²	76	77.7 Å²	77.7	46%	0.461	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.5	179.9	-172	0	0	0	0	108.5	L106 L113 I114	L106-V108 HydrophobicContact CB-CG2 4.06Å; V108-L113 CarbonylContact C-O 3.58Å; V108-L113 WeakPolarHBondContact CA-O 3.43Å; V108-I114 HydrophobicContact CG2-CG1 4.3Å
109	D	74.9	Confident	69.4	Low	53 Å²	53	72.1 Å²	72.1	28%	0.283	39%	0.388	S	S	.	.			trans	-70.2	160.5	172.7	-174.3	28.4	0	0	0	110.6	R67 R111 S112 L113 V115	R67-D109 IonicContact CZ-OD2 3.46Å; R67-D109 IonicContact NH1-OD2 2.63Å; R67-D109 PolarHBondContact NH1-OD2 3.34Å; D109-R111 PolarHBondContact O-N 2.94Å; D109-S112 PolarHBondContact O-N 3.06Å; D109-L113 HydrophobicContact CB-CB 4.26Å; D109-L113 PolarHBondContact N-O 3.32Å; D109-V115 HydrophobicContact CB-CG2 3.72Å
110	L	75.4	Confident	69	Low	176 Å²	176	66.4 Å²	66.4	92%	0.921	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.4	177	-65.7	169.6	0	0	0	113.2	S112	L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.91Å
111	R	76.2	Confident	68.5	Low	182 Å²	182	63.9 Å²	63.9	69%	0.687	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	17.5	175.9	-60.3	-178.1	66.3	175.1	1.1	113.8	D109 L113	D109-R111 PolarHBondContact O-N 2.94Å; R111-L113 HydrophobicContact CB-CD1 4.31Å; R111-L113 PolarHBondContact O-N 3.17Å
112	S	66.9	Low	67.9	Low	79 Å²	79	57.2 Å²	57.2	55%	0.552	31%	0.311	S	S	*	.	S	Bend	trans	58.4	30.1	-176.9	-48.9	0	0	0	0	113.6	D109 L110	D109-S112 PolarHBondContact O-N 3.06Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.91Å
113	L	68.9	Low	67.7	Low	49 Å²	49	63.9 Å²	63.9	26%	0.257	34%	0.335	S	S	.	.			trans	-96.5	121.4	175.7	-73.9	167.5	0	0	0	108.8	V108 D109 R111 V115	V108-L113 CarbonylContact C-O 3.58Å; V108-L113 WeakPolarHBondContact CA-O 3.43Å; D109-L113 HydrophobicContact CB-CB 4.26Å; D109-L113 PolarHBondContact N-O 3.32Å; R111-L113 HydrophobicContact CB-CD1 4.31Å; R111-L113 PolarHBondContact O-N 3.17Å; L113-V115 WeakPolarHBondContact O-CG2 3.44Å; L113-V115 PolarHBondContact O-N 2.84Å
114	I	70.1	Confident	67.4	Low	30 Å²	30	65.5 Å²	65.5	15%	0.154	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	115.2	173.5	-56.7	-177.5	0	0	0	108.2	L106 V108 V117 A145	L106-I114 HydrophobicContact CD2-CG2 4.22Å; V108-I114 HydrophobicContact CG2-CG1 4.3Å; I114-V117 HydrophobicContact CG2-CG2 3.36Å; I114-A145 HydrophobicContact CD1-CB 3.5Å; I114-A145 VanDerWaalsContact CD1-CB 3.5Å
115	V	70.3	Confident	67	Low	19 Å²	19	67.8 Å²	67.8	12%	0.115	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-37.4	-176.2	-175.4	0	0	0	0	110.8	A64 R67 L68 I107 D109 L113	A64-V115 HydrophobicContact CB-CG1 4.37Å; A64-V115 WeakPolarHBondContact O-CG1 3.44Å; R67-V115 HydrophobicContact CB-CG1 4.37Å; L68-V115 HydrophobicContact CB-CG1 4.42Å; L68-V115 HydrophobicContact CD1-CG1 4.19Å; L68-V115 HydrophobicContact CD2-CB 4.3Å; L68-V115 HydrophobicContact CD2-CG1 3.33Å; L68-V115 HydrophobicContact CG-CG1 3.33Å; I107-V115 HydrophobicContact CB-CB 4.43Å; I107-V115 HydrophobicContact CG2-CB 4.17Å; I107-V115 WeakPolarHBondContact O-CA 3.31Å; I107-V115 WeakPolarHBondContact O-CB 3.45Å; I107-V115 PolarHBondContact O-N 3.36Å; D109-V115 HydrophobicContact CB-CG2 3.72Å; L113-V115 WeakPolarHBondContact O-CG2 3.44Å; L113-V115 PolarHBondContact O-N 2.84Å
116	Y	68.7	Low	66.3	Low	70 Å²	70	67.1 Å²	67.1	28%	0.275	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.6	176	172.4	-97	0	0	0	110.3	E93 L106 I107	E93-Y116 PolarHBondContact OE1-OH 3.08Å; E93-Y116 PolarHBondContact OE2-OH 3.46Å; L106-Y116 WeakPolarHBondContact CA-O 3.48Å; I107-Y116 HydrophobicContact CD1-CD1 3.94Å; I107-Y116 HydrophobicContact CD1-CG 4.17Å; I107-Y116 HydrophobicContact CG1-CD1 4.01Å; I107-Y116 HydrophobicContact CG1-CG 4.43Å; I107-Y116 PolarHBondContact N-O 2.93Å; I107-Y116 PolarHBondContact O-N 3.43Å
117	V	68.8	Low	65.2	Low	15 Å²	15	67.9 Å²	67.9	9%	0.091	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.3	179.5	-175	0	0	0	0	106.4	L106 I114 V121 L142	L106-V117 HydrophobicContact CD2-CB 4.13Å; L106-V117 HydrophobicContact CD2-CG1 3.8Å; L106-V117 HydrophobicContact CD2-CG2 3.76Å; I114-V117 HydrophobicContact CG2-CG2 3.36Å; V117-V121 HydrophobicContact CG1-CB 3.69Å; V117-V121 HydrophobicContact CG1-CG1 3.92Å; V117-V121 HydrophobicContact CG1-CG2 3.36Å; V117-L142 HydrophobicContact CB-CD2 4.2Å
118	S	68.6	Low	64.1	Low	2 Å²	2	65.4 Å²	65.4	1%	0.014	35%	0.353	C	S	.	.			trans	-62.5	147.1	173.6	164	0	0	0	0	110.9	E93 F105 S120 V121	E93-S118 WeakPolarHBondContact OE1-CA 3.47Å; E93-S118 PolarHBondContact OE1-OG 3.43Å; F105-S118 PolarHBondContact O-N 2.9Å; S118-S120 PolarHBondContact O-N 2.9Å; S118-S120 PolarHBondContact OG-N 3.33Å; S118-S120 PolarHBondContact OG-OG 2.82Å; S118-V121 WeakPolarHBondContact O-CB 3.5Å; S118-V121 WeakPolarHBondContact O-CG2 3.4Å; S118-V121 PolarHBondContact O-N 3.49Å; S118-V121 VanDerWaalsContact O-N 3.14Å
119	S	65.6	Low	62.4	Low	48 Å²	48	69.6 Å²	69.6	34%	0.336	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.8	173.5	57.8	0	0	0	0	113.6	E93 V121 V122	E93-S119 VanDerWaalsContact OE1-CB 3.31Å; E93-S119 WeakPolarHBondContact OE1-CB 3.42Å; E93-S119 PolarHBondContact OE1-N 2.84Å; E93-S119 PolarHBondContact OE1-OG 3.47Å; S119-V121 PolarHBondContact O-N 3.45Å; S119-V121 VanDerWaalsContact O-N 3.07Å; S119-V122 WeakPolarHBondContact O-CB 3.45Å; S119-V122 PolarHBondContact O-N 2.96Å
120	S	62	Low	60.9	Low	6 Å²	6	72.3 Å²	72.3	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-16.9	177.6	-44.7	0	0	0	0	113.6	S97 S118 V122 E123 T124	S97-S120 PolarHBondContact OG-OG 2.97Å; S118-S120 PolarHBondContact O-N 2.9Å; S118-S120 PolarHBondContact OG-N 3.33Å; S118-S120 PolarHBondContact OG-OG 2.82Å; S120-V122 VanDerWaalsContact C-N 3.3Å; S120-V122 PolarHBondContact O-N 3.36Å; S120-E123 PolarHBondContact O-N 3.25Å; S120-T124 WeakPolarHBondContact O-CG2 3.36Å; S120-T124 PolarHBondContact O-N 3.28Å; S120-T124 PolarHBondContact O-OG1 2.88Å
121	V	60	Low	59.2	Low	19 Å²	19	66 Å²	66	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-36.2	172.7	173.6	0	0	0	0	113.1	V104 V117 S118 S119 E123 I125	V104-V121 HydrophobicContact CB-CG2 3.68Å; V104-V121 HydrophobicContact CG1-CB 4.47Å; V104-V121 HydrophobicContact CG1-CG2 3.06Å; V104-V121 HydrophobicContact CG2-CB 4.17Å; V104-V121 HydrophobicContact CG2-CG2 3.38Å; V117-V121 HydrophobicContact CG1-CB 3.69Å; V117-V121 HydrophobicContact CG1-CG1 3.92Å; V117-V121 HydrophobicContact CG1-CG2 3.36Å; S118-V121 WeakPolarHBondContact O-CB 3.5Å; S118-V121 WeakPolarHBondContact O-CG2 3.4Å; S118-V121 PolarHBondContact O-N 3.49Å; S118-V121 VanDerWaalsContact O-N 3.14Å; S119-V121 PolarHBondContact O-N 3.45Å; S119-V121 VanDerWaalsContact O-N 3.07Å; V121-E123 PolarHBondContact O-N 3.48Å; V121-I125 HydrophobicContact CG1-CD1 3.71Å; V121-I125 HydrophobicContact CG1-CG1 4.07Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 PolarHBondContact O-N 3.47Å
122	V	58.1	Low	58.2	Low	21 Å²	21	65.8 Å²	65.8	13%	0.127	37%	0.369	C	S	.	.	H	α-helix	trans	-65.2	-36.7	-178.7	-179.3	0	0	0	0	109.9	S119 S120 T128 S139	S119-V122 WeakPolarHBondContact O-CB 3.45Å; S119-V122 PolarHBondContact O-N 2.96Å; S120-V122 VanDerWaalsContact C-N 3.3Å; S120-V122 PolarHBondContact O-N 3.36Å; V122-T128 HydrophobicContact CG1-CG2 4.11Å; V122-S139 VanDerWaalsContact CG1-O 3.24Å; V122-S139 WeakPolarHBondContact CG1-O 3.48Å; V122-S139 WeakPolarHBondContact CG2-O 3.37Å
123	E	58.1	Low	57.8	Low	167 Å²	167	67 Å²	67	78%	0.78	37%	0.369	S	S	*	.	H	α-helix	trans	-79.3	-43	-178.8	-63.9	179.4	179	0	0	111.9	S120 V121	S120-E123 PolarHBondContact O-N 3.25Å; V121-E123 PolarHBondContact O-N 3.48Å
124	T	54	Low	56.9	Low	77 Å²	77	67.8 Å²	67.8	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-80.8	-35	-174.6	49.7	0	0	0	0	114.9	G102 V104 S120 G126	G102-T124 WeakPolarHBondContact O-CG2 3.33Å; V104-T124 WeakPolarHBondContact CG2-OG1 3.43Å; S120-T124 WeakPolarHBondContact O-CG2 3.36Å; S120-T124 PolarHBondContact O-N 3.28Å; S120-T124 PolarHBondContact O-OG1 2.88Å; T124-G126 VanDerWaalsContact C-N 3.35Å
125	I	56	Low	55.9	Low	96 Å²	96	69.5 Å²	69.5	49%	0.492	40%	0.404	S	S	.	.	S	Bend	trans	-90.2	-5.4	-177.2	-52.1	-168.5	0	0	0	111.3	V121 M127	V121-I125 HydrophobicContact CG1-CD1 3.71Å; V121-I125 HydrophobicContact CG1-CG1 4.07Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 PolarHBondContact O-N 3.47Å; I125-M127 HydrophobicContact CB-CG 4.18Å; I125-M127 HydrophobicContact CG2-CE 3.96Å; I125-M127 HydrophobicContact CG2-CG 3.64Å; I125-M127 PolarHBondContact O-N 3.22Å; I125-M127 VanDerWaalsContact O-N 3.08Å
126	G	52.2	Low	55	Low	49 Å²	49	73.5 Å²	73.5	51%	0.505	43%	0.43	S	S	.	.			trans	61.9	19.9	177.3	0	0	0	0	0	113.5	T124 T128	T124-G126 VanDerWaalsContact C-N 3.35Å; G126-T128 PolarHBondContact O-N 3.36Å
127	M	48.9	Very low	53.8	Low	105 Å²	105	76.8 Å²	76.8	52%	0.517	44%	0.442	S	S	.	.			trans	-75.9	39.4	178.2	-69.3	-101.2	-179.1	0	0	111.7	I125 F143	I125-M127 HydrophobicContact CB-CG 4.18Å; I125-M127 HydrophobicContact CG2-CE 3.96Å; I125-M127 HydrophobicContact CG2-CG 3.64Å; I125-M127 PolarHBondContact O-N 3.22Å; I125-M127 VanDerWaalsContact O-N 3.08Å; M127-F143 HydrophobicContact SD-CE2 4.16Å; M127-F143 HydrophobicContact SD-CZ 4.26Å
128	T	47.1	Very low	52.5	Low	35 Å²	35	79.4 Å²	79.4	22%	0.215	47%	0.472	C	S	.	.			trans	-87.6	120.8	162.9	47.9	0	0	0	0	106.9	V122 G126 V130 R137	V122-T128 HydrophobicContact CG1-CG2 4.11Å; G126-T128 PolarHBondContact O-N 3.36Å; T128-V130 PolarHBondContact O-N 3.23Å; T128-R137 WeakPolarHBondContact CG2-O 3.4Å
129	Q	39.9	Very low	51.3	Low	163 Å²	163	81.2 Å²	81.2	76%	0.762	49%	0.485	S	S	*	.			trans	-60.9	106.8	165.9	-82.5	-173.1	-28.6	0	0	107.1	S131	Q129-S131 PolarHBondContact O-N 2.8Å
130	V	43	Very low	50.3	Low	110 Å²	110	87.2 Å²	87.2	67%	0.667	50%	0.5	S	S	*	.			trans	-60.2	106.5	164.4	178.6	0	0	0	0	105.8	T128	T128-V130 PolarHBondContact O-N 3.23Å
131	S	40.4	Very low	49.3	Very low	43 Å²	43	91.9 Å²	91.9	30%	0.301	52%	0.522	S	S	.	.			trans	-73.2	150.1	164.5	-173	0	0	0	0	107.2	Q129 N133 G134 R137	Q129-S131 PolarHBondContact O-N 2.8Å; S131-N133 WeakPolarHBondContact CB-OD1 3.41Å; S131-N133 PolarHBondContact O-N 3.18Å; S131-N133 PolarHBondContact O-OD1 3.39Å; S131-G134 PolarHBondContact O-N 3Å; S131-R137 PolarHBondContact OG-NH2 3.35Å
132	D	55.6	Low	48.6	Very low	179 Å²	179	94.7 Å²	94.7	96%	0.957	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	1.7	-176.2	-64.6	-36.7	0	0	0	116.3
133	N	57	Low	48	Very low	104 Å²	104	98.1 Å²	98.1	56%	0.556	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	12.2	176.6	61.3	-4.9	0	0	0	114.7	S131 S135	S131-N133 WeakPolarHBondContact CB-OD1 3.41Å; S131-N133 PolarHBondContact O-N 3.18Å; S131-N133 PolarHBondContact O-OD1 3.39Å; N133-S135 PolarHBondContact O-N 3.41Å
134	G	50.7	Low	47.3	Very low	65 Å²	65	91.6 Å²	91.6	67%	0.67	52%	0.522	S	S	*	.			trans	66.4	12.5	166.2	0	0	0	0	0	116	S131	S131-G134 PolarHBondContact O-N 3Å
135	S	50.2	Low	46.7	Very low	67 Å²	67	90.1 Å²	90.1	47%	0.469	52%	0.518	S	S	.	.			trans	-105.7	123.9	179.9	-160.4	0	0	0	0	110.5	N133 R137	N133-S135 PolarHBondContact O-N 3.41Å; S135-R137 PolarHBondContact O-N 3.02Å
136	P	49.6	Very low	45.6	Very low	102 Å²	102	92.9 Å²	92.9	66%	0.662	53%	0.529	S	S	*	.			trans	-68.5	104.5	-179.8	26.5	-30.9	0	0	0	109.4	G138	P136-G138 PolarHBondContact O-N 2.87Å
137	R	45.3	Very low	44.8	Very low	140 Å²	140	94.3 Å²	94.3	53%	0.528	53%	0.529	S	S	.	.			trans	-82.9	106	171.3	-69.3	-165.4	-122.6	-170.1	2.5	108.8	T128 S131 S135 S139	T128-R137 WeakPolarHBondContact CG2-O 3.4Å; S131-R137 PolarHBondContact OG-NH2 3.35Å; S135-R137 PolarHBondContact O-N 3.02Å; R137-S139 VanDerWaalsContact C-N 3.3Å; R137-S139 PolarHBondContact O-N 3.01Å; R137-S139 PolarHBondContact O-OG 3.33Å
138	G	41.2	Very low	44	Very low	70 Å²	70	98.1 Å²	98.1	72%	0.722	55%	0.548	S	S	*	.			trans	-54.1	89.8	173.1	0	0	0	0	0	111.1	P136	P136-G138 PolarHBondContact O-N 2.87Å
139	S	42.4	Very low	43.3	Very low	40 Å²	40	101.8 Å²	101.8	28%	0.28	58%	0.575	S	S	.	*			trans	-96.9	103.4	-177.8	-62.1	0	0	0	0	107.2	V122 R137 M141	V122-S139 VanDerWaalsContact CG1-O 3.24Å; V122-S139 WeakPolarHBondContact CG1-O 3.48Å; V122-S139 WeakPolarHBondContact CG2-O 3.37Å; R137-S139 VanDerWaalsContact C-N 3.3Å; R137-S139 PolarHBondContact O-N 3.01Å; R137-S139 PolarHBondContact O-OG 3.33Å; S139-M141 PolarHBondContact O-N 2.92Å
140	R	44.2	Very low	43.1	Very low	174 Å²	174	105.4 Å²	105.4	66%	0.657	58%	0.581	S	S	*	*			trans	-63.8	78.2	167.5	-76.7	-174.7	-170.6	174.6	1.9	109.6	T45 L142	T45-R140 HydrophobicContact CG2-CB 4.27Å; R140-L142 PolarHBondContact O-N 3.42Å
141	M	42.4	Very low	42.6	Very low	104 Å²	104	113.5 Å²	113.5	51%	0.512	61%	0.607	S	S	.	*			trans	-90.9	100	174.5	-159	162.4	-171.4	0	0	107.8	S139 F143	S139-M141 PolarHBondContact O-N 2.92Å; M141-F143 HydrophobicContact CB-CD2 3.94Å; M141-F143 HydrophobicContact CB-CE2 4.05Å; M141-F143 HydrophobicContact CE-CE2 4.03Å; M141-F143 HydrophobicContact CE-CZ 3.9Å; M141-F143 HydrophobicContact CG-CD2 3.63Å; M141-F143 HydrophobicContact CG-CE2 3.57Å; M141-F143 HydrophobicContact CG-CG 4.48Å; M141-F143 HydrophobicContact CG-CZ 4.37Å; M141-F143 PolarHBondContact O-N 3.17Å; M141-F143 HydrophobicContact SD-CD2 3.96Å; M141-F143 HydrophobicContact SD-CE2 3.23Å; M141-F143 WeakPolarHBondContact SD-CE2 3.32Å; M141-F143 HydrophobicContact SD-CZ 3.67Å
142	L	44.9	Very low	42.7	Very low	77 Å²	77	117 Å²	117	40%	0.403	62%	0.623	S	S	.	*			trans	-65.2	86	164.5	-83.4	161.3	0	0	0	107.8	V117 R140 C144	V117-L142 HydrophobicContact CB-CD2 4.2Å; R140-L142 PolarHBondContact O-N 3.42Å; L142-C144 PolarHBondContact O-N 2.89Å; L142-C144 VanDerWaalsContact O-N 3.12Å
143	F	45.3	Very low	42.1	Very low	94 Å²	94	113.7 Å²	113.7	41%	0.412	61%	0.605	S	S	.	*			trans	-70	104.9	171.7	-97.2	-85.6	0	0	0	108.7	M127 M141 A145	M127-F143 HydrophobicContact SD-CE2 4.16Å; M127-F143 HydrophobicContact SD-CZ 4.26Å; M141-F143 HydrophobicContact CB-CD2 3.94Å; M141-F143 HydrophobicContact CB-CE2 4.05Å; M141-F143 HydrophobicContact CE-CE2 4.03Å; M141-F143 HydrophobicContact CE-CZ 3.9Å; M141-F143 HydrophobicContact CG-CD2 3.63Å; M141-F143 HydrophobicContact CG-CE2 3.57Å; M141-F143 HydrophobicContact CG-CG 4.48Å; M141-F143 HydrophobicContact CG-CZ 4.37Å; M141-F143 PolarHBondContact O-N 3.17Å; M141-F143 HydrophobicContact SD-CD2 3.96Å; M141-F143 HydrophobicContact SD-CE2 3.23Å; M141-F143 WeakPolarHBondContact SD-CE2 3.32Å; M141-F143 HydrophobicContact SD-CZ 3.67Å; F143-A145 VanDerWaalsContact C-N 3.26Å; F143-A145 PolarHBondContact O-N 3.47Å
144	C	42.5	Very low	41.2	Very low	29 Å²	29	114.3 Å²	114.3	20%	0.196	61%	0.608	C	S	.	*			trans	-75.2	89.9	156.1	-160.4	0	0	0	0	106.2	R60 L142 Q146	R60-C144 VanDerWaalsContact CZ-O 3.25Å; R60-C144 PolarHBondContact NE-SG 2.87Å; R60-C144 VanDerWaalsContact NE-SG 3.42Å; R60-C144 PolarHBondContact NH1-O 3.34Å; R60-C144 VanDerWaalsContact NH1-O 3.11Å; R60-C144 VanDerWaalsContact NH2-C 3.34Å; R60-C144 PolarHBondContact NH2-O 3.48Å; R60-C144 PolarHBondContact NH2-SG 3.44Å; L142-C144 PolarHBondContact O-N 2.89Å; L142-C144 VanDerWaalsContact O-N 3.12Å; C144-Q146 PolarHBondContact O-N 3.07Å
145	A	41.1	Very low	40.7	Very low	47 Å²	47	117.2 Å²	117.2	39%	0.388	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-58.1	124.7	170.7	0	0	0	0	0	107.8	R60 I114 F143	R60-A145 PolarHBondContact NH2-O 2.99Å; I114-A145 HydrophobicContact CD1-CB 3.5Å; I114-A145 VanDerWaalsContact CD1-CB 3.5Å; F143-A145 VanDerWaalsContact C-N 3.26Å; F143-A145 PolarHBondContact O-N 3.47Å
146	Q	34.5	Very low	40.1	Very low	154 Å²	154	120.3 Å²	120.3	72%	0.72	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-68.7	138.8	169	-71.3	178.6	-99.6	0	0	107.6	C144 M148	C144-Q146 PolarHBondContact O-N 3.07Å; Q146-M148 PolarHBondContact O-N 2.99Å; Q146-M148 VanDerWaalsContact O-N 3.12Å
147	P	34.2	Very low	39.5	Very low	79 Å²	79	121.5 Å²	121.5	51%	0.513	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-60.5	121.7	167.5	25.3	-30.7	0	0	0	107.5	S149	P147-S149 PolarHBondContact O-N 3.49Å
148	M	32.2	Very low	39	Very low	185 Å²	185	120.2 Å²	120.2	91%	0.911	62%	0.615	S	S	*	*			trans	-60.5	106.3	172.4	-161.4	164	80.9	0	0	106.9	Q146 R150	Q146-M148 PolarHBondContact O-N 2.99Å; Q146-M148 VanDerWaalsContact O-N 3.12Å; M148-R150 PolarHBondContact O-N 3.26Å; M148-R150 VanDerWaalsContact O-N 3.14Å
149	S	33.5	Very low	38.9	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	61%	0.607	S	S	*	*			trans	-58	118.5	177.1	-159.3	0	0	0	0	107.8	P147 K151	P147-S149 PolarHBondContact O-N 3.49Å; S149-K151 PolarHBondContact O-N 3.07Å
150	R	35.2	Very low	38.6	Very low	239 Å²	239	131.1 Å²	131.1	90%	0.902	63%	0.634	S	S	*	*			trans	-65.8	131.8	168.2	-77.2	-173.1	178.6	-170.3	0	107.3	M148	M148-R150 PolarHBondContact O-N 3.26Å; M148-R150 VanDerWaalsContact O-N 3.14Å
151	K	33.2	Very low	38.1	Very low	279 Å²	279	127.2 Å²	127.2	100%	1.213	63%	0.632	S	S	*	*			trans	-50	0	171.9	-68.3	-177.5	177.8	-179.8	0	111.9	S149	S149-K151 PolarHBondContact O-N 3.07Å

Retrieved 151 of 151 residues in 61.9 ms (Link to these results)

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