A0A087WYU8_HUMAN Loading...

RUN and SH3 domain containing 1

AlphaFold DB , UniProt , Accession A0A087WYU8, Species HUMAN (Homo sapiens, Human), Gene RUSC1, Length 105 aa.

						>A0A087WYU8_HUMAN|A0A087WYU8|RUSC1
MAEAQSGTGQLQEQKKGLLIAVSVSVDKIISHFGAARNLVQKAQLGDSRLSPDVGHLVLTTLCPALHALVADGLKPFRKDLITGQRRSSPWSVVEASVKPARSAV
					

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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	49.1	Very low	63.7	Low	222 Å²	222	104.3 Å²	104.3	100%	1.094	61%	0.611	S	S	*	*				0	-17.8	0	-74.4	-168.9	-93.3	0	0	113.9
2	A	54.3	Low	65.6	Low	80 Å²	80	105.7 Å²	105.7	66%	0.661	61%	0.607	S	S	*	*	H	α-helix	trans	-79.7	-30.6	179.1	0	0	0	0	0	115.2	Q5 S6	A2-Q5 PolarHBondContact O-N 2.9Å; A2-S6 PolarHBondContact O-N 3.42Å
3	E	49.4	Very low	67.5	Low	178 Å²	178	105.7 Å²	105.7	83%	0.832	60%	0.599	S	S	*	*	H	α-helix	trans	-67.9	-35.3	179.7	-89	174	87.6	0	0	114	Q5 S6 G7	E3-Q5 VanDerWaalsContact C-N 3.3Å; E3-Q5 PolarHBondContact O-N 2.96Å; E3-S6 PolarHBondContact O-N 2.88Å; E3-G7 PolarHBondContact O-N 2.94Å
4	A	52.5	Low	69.1	Low	76 Å²	76	107.4 Å²	107.4	63%	0.628	60%	0.599	S	S	*	*	H	α-helix	trans	-67.7	-29.7	-179.9	0	0	0	0	0	112.8	T8	A4-T8 WeakPolarHBondContact O-CG2 3.28Å; A4-T8 PolarHBondContact O-OG1 2.99Å
5	Q	54.3	Low	70.8	Confident	148 Å²	148	107.3 Å²	107.3	69%	0.692	59%	0.59	S	S	*	*	H	α-helix	trans	-77.7	-26.6	176.3	-70.4	177.2	-16	0	0	112.4	A2 E3 T8 G9	A2-Q5 PolarHBondContact O-N 2.9Å; E3-Q5 VanDerWaalsContact C-N 3.3Å; E3-Q5 PolarHBondContact O-N 2.96Å; Q5-T8 PolarHBondContact O-OG1 3.43Å; Q5-T8 VanDerWaalsContact O-OG1 3.08Å; Q5-G9 PolarHBondContact O-N 2.89Å
6	S	59.6	Low	72.4	Confident	71 Å²	71	106.3 Å²	106.3	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-71.2	-42.7	176.1	-171.8	0	0	0	0	111.7	A2 E3 G9 Q10	A2-S6 PolarHBondContact O-N 3.42Å; E3-S6 PolarHBondContact O-N 2.88Å; S6-G9 PolarHBondContact O-N 3.45Å; S6-Q10 WeakPolarHBondContact O-CG 2.99Å; S6-Q10 PolarHBondContact O-N 2.84Å; S6-Q10 VanDerWaalsContact O-N 3.15Å
7	G	66.4	Low	73.9	Confident	37 Å²	37	102.2 Å²	102.2	38%	0.381	57%	0.566	S	S	.	*	H	α-helix	trans	-67.7	-34.7	178.9	0	0	0	0	0	114.3	E3 L11	E3-G7 PolarHBondContact O-N 2.94Å; G7-L11 WeakPolarHBondContact O-CB 3.5Å; G7-L11 PolarHBondContact O-N 2.96Å; G7-L11 VanDerWaalsContact O-N 3.12Å
8	T	72.1	Confident	75.2	Confident	87 Å²	87	98.4 Å²	98.4	53%	0.534	55%	0.545	S	S	.	.	H	α-helix	trans	-70.7	-38.2	176	53	0	0	0	0	112.1	A4 Q5 L11 Q12	A4-T8 WeakPolarHBondContact O-CG2 3.28Å; A4-T8 PolarHBondContact O-OG1 2.99Å; Q5-T8 PolarHBondContact O-OG1 3.43Å; Q5-T8 VanDerWaalsContact O-OG1 3.08Å; T8-L11 PolarHBondContact O-N 2.89Å; T8-Q12 WeakPolarHBondContact O-CB 3.27Å; T8-Q12 PolarHBondContact O-N 3.42Å
9	G	78	Confident	76.4	Confident	35 Å²	35	98.7 Å²	98.7	36%	0.361	55%	0.545	S	S	.	.	H	α-helix	trans	-62.7	-43	174.7	0	0	0	0	0	112.7	Q5 S6 Q12 E13	Q5-G9 PolarHBondContact O-N 2.89Å; S6-G9 PolarHBondContact O-N 3.45Å; G9-Q12 PolarHBondContact O-N 3.45Å; G9-E13 PolarHBondContact O-N 3.16Å
10	Q	79.5	Confident	77.5	Confident	128 Å²	128	98.7 Å²	98.7	60%	0.598	54%	0.543	S	S	*	.	H	α-helix	trans	-65.7	-43.7	176.9	-72.8	-179.3	-39.3	0	0	112.6	S6 Q12 E13 Q14	S6-Q10 WeakPolarHBondContact O-CG 2.99Å; S6-Q10 PolarHBondContact O-N 2.84Å; S6-Q10 VanDerWaalsContact O-N 3.15Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q10-Q12 PolarHBondContact O-N 3.41Å; Q10-E13 PolarHBondContact O-N 3.09Å; Q10-Q14 WeakPolarHBondContact O-CG 3.14Å; Q10-Q14 PolarHBondContact O-N 3.36Å
11	L	85.4	Confident	78.5	Confident	85 Å²	85	96 Å²	96	45%	0.445	53%	0.533	S	S	.	.	H	α-helix	trans	-62.6	-40.4	176.1	-177.1	69.3	0	0	0	111.6	G7 T8 E13 Q14 K15	G7-L11 WeakPolarHBondContact O-CB 3.5Å; G7-L11 PolarHBondContact O-N 2.96Å; G7-L11 VanDerWaalsContact O-N 3.12Å; T8-L11 PolarHBondContact O-N 2.89Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 2.78Å; L11-Q14 PolarHBondContact O-N 3.45Å; L11-K15 WeakPolarHBondContact O-CG 3.34Å; L11-K15 PolarHBondContact O-N 2.76Å
12	Q	86.8	Confident	80.8	Confident	121 Å²	121	86.8 Å²	86.8	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-63.9	-40.2	177.1	-173.8	175.8	-13.4	0	0	111.4	T8 G9 Q10 K15 K16	T8-Q12 WeakPolarHBondContact O-CB 3.27Å; T8-Q12 PolarHBondContact O-N 3.42Å; G9-Q12 PolarHBondContact O-N 3.45Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q10-Q12 PolarHBondContact O-N 3.41Å; Q12-K15 PolarHBondContact O-N 2.98Å; Q12-K16 WeakPolarHBondContact O-CG 3Å; Q12-K16 PolarHBondContact O-N 2.94Å
13	E	89.9	Confident	82.9	Confident	106 Å²	106	86 Å²	86	50%	0.495	48%	0.479	S	S	.	.	H	α-helix	trans	-67.4	-39	177.1	-160.2	58.3	-151.7	0	0	112.1	G9 Q10 L11 K15 K16 G17	G9-E13 PolarHBondContact O-N 3.16Å; Q10-E13 PolarHBondContact O-N 3.09Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 2.78Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 2.92Å; E13-K16 WeakPolarHBondContact O-CB 3.43Å; E13-K16 PolarHBondContact O-N 3.1Å; E13-K16 IonicContact OE2-NZ 2.8Å; E13-K16 PolarHBondContact OE2-NZ 3.41Å; E13-G17 PolarHBondContact O-N 3.32Å
14	Q	90.8	Very high	85.3	Confident	129 Å²	129	80.7 Å²	80.7	60%	0.603	46%	0.459	S	S	*	.	H	α-helix	trans	-59.3	-44.9	172.2	-75	-179.3	-40.5	0	0	112	Q10 L11 K16 G17 L18	Q10-Q14 WeakPolarHBondContact O-CG 3.14Å; Q10-Q14 PolarHBondContact O-N 3.36Å; L11-Q14 PolarHBondContact O-N 3.45Å; Q14-K16 VanDerWaalsContact C-N 3.34Å; Q14-K16 PolarHBondContact O-N 2.89Å; Q14-G17 WeakPolarHBondContact O-CA 3.48Å; Q14-G17 PolarHBondContact O-N 3.17Å; Q14-G17 VanDerWaalsContact O-N 3.1Å; Q14-L18 PolarHBondContact O-N 2.94Å; Q14-L18 VanDerWaalsContact O-N 3.15Å
15	K	94.6	Very high	87.5	Confident	106 Å²	106	77.4 Å²	77.4	46%	0.461	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-38.5	177.1	-72.9	-173.9	174.6	-163.3	0	112.7	L11 Q12 E13 G17 L18 L19	L11-K15 WeakPolarHBondContact O-CG 3.34Å; L11-K15 PolarHBondContact O-N 2.76Å; Q12-K15 PolarHBondContact O-N 2.98Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 2.92Å; K15-G17 VanDerWaalsContact C-N 3.33Å; K15-L18 PolarHBondContact O-N 2.91Å; K15-L19 PolarHBondContact O-N 3.47Å
16	K	96.3	Very high	89.6	Confident	91 Å²	91	73.1 Å²	73.1	40%	0.396	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-42.4	171.8	-69.1	-179	-157.9	156.4	0	111.2	Q12 E13 Q14 L18 L19 I20	Q12-K16 WeakPolarHBondContact O-CG 3Å; Q12-K16 PolarHBondContact O-N 2.94Å; E13-K16 WeakPolarHBondContact O-CB 3.43Å; E13-K16 PolarHBondContact O-N 3.1Å; E13-K16 IonicContact OE2-NZ 2.8Å; E13-K16 PolarHBondContact OE2-NZ 3.41Å; Q14-K16 VanDerWaalsContact C-N 3.34Å; Q14-K16 PolarHBondContact O-N 2.89Å; K16-L18 VanDerWaalsContact C-N 3.28Å; K16-L18 PolarHBondContact O-N 3.37Å; K16-L19 PolarHBondContact O-N 3.25Å; K16-L19 VanDerWaalsContact O-N 3.09Å; K16-I20 VanDerWaalsContact O-CG1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.45Å; K16-I20 PolarHBondContact O-N 3.31Å
17	G	97.1	Very high	91.4	Very high	37 Å²	37	74 Å²	74	38%	0.381	41%	0.414	S	S	.	.	H	α-helix	trans	-55	-42.1	176.7	0	0	0	0	0	113.1	E13 Q14 K15 I20 A21	E13-G17 PolarHBondContact O-N 3.32Å; Q14-G17 WeakPolarHBondContact O-CA 3.48Å; Q14-G17 PolarHBondContact O-N 3.17Å; Q14-G17 VanDerWaalsContact O-N 3.1Å; K15-G17 VanDerWaalsContact C-N 3.33Å; G17-I20 PolarHBondContact O-N 3.41Å; G17-A21 PolarHBondContact O-N 3.46Å
18	L	97.6	Very high	92.9	Very high	34 Å²	34	77.2 Å²	77.2	18%	0.178	42%	0.418	C	S	.	.	H	α-helix	trans	-62.3	-44.1	175.4	-62.9	172.4	0	0	0	112.1	Q14 K15 K16 A21 V22 A68 L69 D72	Q14-L18 PolarHBondContact O-N 2.94Å; Q14-L18 VanDerWaalsContact O-N 3.15Å; K15-L18 PolarHBondContact O-N 2.91Å; K16-L18 VanDerWaalsContact C-N 3.28Å; K16-L18 PolarHBondContact O-N 3.37Å; L18-A21 PolarHBondContact O-N 2.92Å; L18-V22 PolarHBondContact O-N 3.43Å; L18-A68 HydrophobicContact CD2-CB 3.87Å; L18-L69 HydrophobicContact CB-CD1 3.9Å; L18-L69 HydrophobicContact CD1-CD1 4.25Å; L18-D72 HydrophobicContact CD1-CB 3.65Å
19	L	97.8	Very high	94.2	Very high	105 Å²	105	74.4 Å²	74.4	55%	0.55	40%	0.399	S	S	.	.	H	α-helix	trans	-69.1	-37	178.4	-66.8	178.4	0	0	0	112.6	K15 K16 A21 V22 S23 L69	K15-L19 PolarHBondContact O-N 3.47Å; K16-L19 PolarHBondContact O-N 3.25Å; K16-L19 VanDerWaalsContact O-N 3.09Å; L19-A21 VanDerWaalsContact C-N 3.32Å; L19-A21 PolarHBondContact O-N 3Å; L19-V22 PolarHBondContact O-N 3.03Å; L19-S23 PolarHBondContact O-N 3.25Å; L19-L69 HydrophobicContact CD2-CD1 4.3Å; L19-L69 HydrophobicContact CD2-CD2 4.45Å
20	I	98.3	Very high	95.1	Very high	98 Å²	98	77.9 Å²	77.9	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-43.1	174.4	-69.6	165.2	0	0	0	110.1	K16 G17 V22 S23 V24	K16-I20 VanDerWaalsContact O-CG1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.45Å; K16-I20 PolarHBondContact O-N 3.31Å; G17-I20 PolarHBondContact O-N 3.41Å; I20-V22 VanDerWaalsContact C-N 3.29Å; I20-V22 PolarHBondContact O-N 2.87Å; I20-S23 WeakPolarHBondContact O-CB 3.4Å; I20-S23 PolarHBondContact O-N 3.48Å; I20-V24 HydrophobicContact CG2-CG2 4.19Å; I20-V24 WeakPolarHBondContact O-CG2 3.38Å; I20-V24 PolarHBondContact O-N 3.32Å
21	A	98.1	Very high	96	Very high	41 Å²	41	76 Å²	76	34%	0.339	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-39.9	176.9	0	0	0	0	0	112.3	G17 L18 L19 S25 A65	G17-A21 PolarHBondContact O-N 3.46Å; L18-A21 PolarHBondContact O-N 2.92Å; L19-A21 VanDerWaalsContact C-N 3.32Å; L19-A21 PolarHBondContact O-N 3Å; A21-S25 WeakPolarHBondContact O-CB 3.24Å; A21-S25 PolarHBondContact O-N 3.16Å; A21-S25 VanDerWaalsContact O-N 3.12Å; A21-S25 PolarHBondContact O-OG 3.15Å; A21-A65 HydrophobicContact CB-CB 4.07Å
22	V	98.5	Very high	96.6	Very high	29 Å²	29	73.6 Å²	73.6	18%	0.176	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-48.2	173.6	176.6	0	0	0	0	110.8	L18 L19 I20 V24 S25 V26 L62 A65 L66 L69	L18-V22 PolarHBondContact O-N 3.43Å; L19-V22 PolarHBondContact O-N 3.03Å; I20-V22 VanDerWaalsContact C-N 3.29Å; I20-V22 PolarHBondContact O-N 2.87Å; V22-V24 PolarHBondContact O-N 3.21Å; V22-S25 WeakPolarHBondContact O-CB 3.42Å; V22-S25 PolarHBondContact O-N 3.37Å; V22-S25 VanDerWaalsContact O-N 3.15Å; V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 WeakPolarHBondContact O-CG2 3.34Å; V22-V26 PolarHBondContact O-N 2.74Å; V22-L62 HydrophobicContact CG1-CD1 4.34Å; V22-A65 HydrophobicContact CG2-CB 3.86Å; V22-L66 HydrophobicContact CG1-CD2 4.49Å; V22-L66 HydrophobicContact CG2-CD2 4.17Å; V22-L69 HydrophobicContact CG2-CD2 4.35Å
23	S	98.5	Very high	97.1	Very high	65 Å²	65	70.3 Å²	70.3	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-55.3	-51.5	178.6	-168.7	0	0	0	0	111.7	L19 I20 S25 V26 D27	L19-S23 PolarHBondContact O-N 3.25Å; I20-S23 WeakPolarHBondContact O-CB 3.4Å; I20-S23 PolarHBondContact O-N 3.48Å; S23-S25 VanDerWaalsContact C-N 3.27Å; S23-S25 PolarHBondContact O-N 3.06Å; S23-V26 PolarHBondContact O-N 2.98Å; S23-V26 VanDerWaalsContact O-N 3.11Å; S23-D27 VanDerWaalsContact O-CG 3.3Å; S23-D27 PolarHBondContact O-N 3.22Å
24	V	98.6	Very high	97.5	Very high	65 Å²	65	67.9 Å²	67.9	39%	0.394	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-37.8	178.9	170.4	0	0	0	0	111.7	I20 V22 K28	I20-V24 HydrophobicContact CG2-CG2 4.19Å; I20-V24 WeakPolarHBondContact O-CG2 3.38Å; I20-V24 PolarHBondContact O-N 3.32Å; V22-V24 PolarHBondContact O-N 3.21Å; V24-K28 WeakPolarHBondContact O-CG 3.37Å; V24-K28 PolarHBondContact O-N 3.38Å
25	S	98.4	Very high	97.6	Very high	7 Å²	7	65.6 Å²	65.6	5%	0.049	39%	0.386	C	S	.	.	H	α-helix	trans	-66.6	-41.9	176.8	-57.1	0	0	0	0	111.6	A21 V22 S23 K28 I29 T61	A21-S25 WeakPolarHBondContact O-CB 3.24Å; A21-S25 PolarHBondContact O-N 3.16Å; A21-S25 VanDerWaalsContact O-N 3.12Å; A21-S25 PolarHBondContact O-OG 3.15Å; V22-S25 WeakPolarHBondContact O-CB 3.42Å; V22-S25 PolarHBondContact O-N 3.37Å; V22-S25 VanDerWaalsContact O-N 3.15Å; S23-S25 VanDerWaalsContact C-N 3.27Å; S23-S25 PolarHBondContact O-N 3.06Å; S25-K28 PolarHBondContact O-N 3.04Å; S25-I29 WeakPolarHBondContact O-CG1 3.4Å; S25-I29 PolarHBondContact O-N 3.11Å; S25-I29 VanDerWaalsContact O-N 3.14Å; S25-T61 VanDerWaalsContact OG-C 3.22Å; S25-T61 WeakPolarHBondContact OG-CB 3.49Å; S25-T61 PolarHBondContact OG-O 3.17Å
26	V	98.5	Very high	97.7	Very high	58 Å²	58	61 Å²	61	35%	0.352	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-42.4	175.9	172.2	0	0	0	0	111.1	V22 S23 K28 I29 I30 L62	V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 WeakPolarHBondContact O-CG2 3.34Å; V22-V26 PolarHBondContact O-N 2.74Å; S23-V26 PolarHBondContact O-N 2.98Å; S23-V26 VanDerWaalsContact O-N 3.11Å; V26-K28 VanDerWaalsContact C-N 3.3Å; V26-K28 PolarHBondContact O-N 3.2Å; V26-I29 WeakPolarHBondContact O-CB 3.31Å; V26-I29 PolarHBondContact O-N 2.82Å; V26-I29 VanDerWaalsContact O-N 3.09Å; V26-I30 HydrophobicContact CG1-CD1 3.81Å; V26-I30 HydrophobicContact CG1-CG1 4.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.19Å; V26-I30 PolarHBondContact O-N 2.92Å; V26-L62 HydrophobicContact CG2-CD1 4.32Å
27	D	98.6	Very high	97.7	Very high	91 Å²	91	68 Å²	68	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-41.2	177.5	-68.4	-32.5	0	0	0	111.8	S23 I30 S31	S23-D27 VanDerWaalsContact O-CG 3.3Å; S23-D27 PolarHBondContact O-N 3.22Å; D27-I30 PolarHBondContact O-N 3.15Å; D27-S31 WeakPolarHBondContact O-CB 3.26Å; D27-S31 PolarHBondContact O-N 3.41Å
28	K	98.3	Very high	97.7	Very high	103 Å²	103	69.9 Å²	69.9	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-41	174.6	-68.7	171.4	177.2	-178.7	0	111.9	V24 S25 V26 S31 H32 L57 T61	V24-K28 WeakPolarHBondContact O-CG 3.37Å; V24-K28 PolarHBondContact O-N 3.38Å; S25-K28 PolarHBondContact O-N 3.04Å; V26-K28 VanDerWaalsContact C-N 3.3Å; V26-K28 PolarHBondContact O-N 3.2Å; K28-S31 WeakPolarHBondContact O-CB 3.37Å; K28-S31 PolarHBondContact O-N 3.22Å; K28-H32 PolarHBondContact O-N 2.92Å; K28-L57 HydrophobicContact CB-CD1 3.73Å; K28-L57 HydrophobicContact CB-CD2 4.28Å; K28-L57 HydrophobicContact CB-CG 4.5Å; K28-L57 HydrophobicContact CD-CD1 4.17Å; K28-T61 HydrophobicContact CD-CG2 3.97Å
29	I	98.1	Very high	97.7	Very high	29 Å²	29	75.2 Å²	75.2	15%	0.149	42%	0.421	C	S	.	.	H	α-helix	trans	-63.8	-46.4	176.5	-67.1	163	0	0	0	109.8	S25 V26 S31 H32 F33 L57 V58 L62	S25-I29 WeakPolarHBondContact O-CG1 3.4Å; S25-I29 PolarHBondContact O-N 3.11Å; S25-I29 VanDerWaalsContact O-N 3.14Å; V26-I29 WeakPolarHBondContact O-CB 3.31Å; V26-I29 PolarHBondContact O-N 2.82Å; V26-I29 VanDerWaalsContact O-N 3.09Å; I29-S31 VanDerWaalsContact C-N 3.27Å; I29-S31 PolarHBondContact O-N 3.29Å; I29-H32 WeakPolarHBondContact O-CB 3.35Å; I29-H32 PolarHBondContact O-N 3.23Å; I29-H32 VanDerWaalsContact O-N 3.15Å; I29-F33 HydrophobicContact CG2-CD2 3.85Å; I29-F33 HydrophobicContact CG2-CE2 3.72Å; I29-F33 VanDerWaalsContact O-CD2 3.26Å; I29-F33 WeakPolarHBondContact O-CD2 3.23Å; I29-F33 PolarHBondContact O-N 3.15Å; I29-F33 VanDerWaalsContact O-N 3.09Å; I29-L57 HydrophobicContact CB-CD2 4.29Å; I29-L57 HydrophobicContact CG1-CD2 3.73Å; I29-L57 HydrophobicContact CG1-CG 4Å; I29-V58 HydrophobicContact CD1-CG2 4.12Å; I29-L62 HydrophobicContact CD1-CB 4.1Å; I29-L62 HydrophobicContact CD1-CD2 3.77Å; I29-L62 HydrophobicContact CD1-CG 4.46Å
30	I	98.3	Very high	97.7	Very high	107 Å²	107	75.1 Å²	75.1	55%	0.549	42%	0.424	S	S	.	.	H	α-helix	trans	-57.6	-43.8	175.9	-68.8	170.1	0	0	0	110.6	V26 D27 H32 F33 G34	V26-I30 HydrophobicContact CG1-CD1 3.81Å; V26-I30 HydrophobicContact CG1-CG1 4.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.19Å; V26-I30 PolarHBondContact O-N 2.92Å; D27-I30 PolarHBondContact O-N 3.15Å; I30-H32 PolarHBondContact O-N 3.44Å; I30-F33 PolarHBondContact O-N 3.32Å; I30-G34 PolarHBondContact O-N 3.44Å
31	S	98.2	Very high	97.6	Very high	89 Å²	89	74.1 Å²	74.1	62%	0.622	42%	0.418	S	S	*	.	H	α-helix	trans	-59.4	-44.2	176.3	-175.9	0	0	0	0	112.2	D27 K28 I29 F33 G34	D27-S31 WeakPolarHBondContact O-CB 3.26Å; D27-S31 PolarHBondContact O-N 3.41Å; K28-S31 WeakPolarHBondContact O-CB 3.37Å; K28-S31 PolarHBondContact O-N 3.22Å; I29-S31 VanDerWaalsContact C-N 3.27Å; I29-S31 PolarHBondContact O-N 3.29Å; S31-F33 PolarHBondContact O-N 3.37Å; S31-G34 WeakPolarHBondContact O-CA 3.49Å; S31-G34 PolarHBondContact O-N 3.03Å
32	H	97.5	Very high	97.6	Very high	34 Å²	34	75.8 Å²	75.8	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-55.7	-49.7	174.5	177.5	77.8	0	0	0	111.8	K28 I29 I30 G34 A35 L45 S51 L57	K28-H32 PolarHBondContact O-N 2.92Å; I29-H32 WeakPolarHBondContact O-CB 3.35Å; I29-H32 PolarHBondContact O-N 3.23Å; I29-H32 VanDerWaalsContact O-N 3.15Å; I30-H32 PolarHBondContact O-N 3.44Å; H32-G34 PolarHBondContact O-N 3.38Å; H32-A35 PolarHBondContact O-N 3.35Å; H32-L45 PolarHBondContact NE2-O 3.14Å; H32-S51 PolarHBondContact CE1-OG 3.47Å; H32-S51 VanDerWaalsContact CE1-OG 3.32Å; H32-S51 PolarHBondContact NE2-OG 2.8Å; H32-L57 HydrophobicContact CB-CD2 3.96Å
33	F	98.2	Very high	97.6	Very high	53 Å²	53	77.6 Å²	77.6	23%	0.232	44%	0.435	C	S	.	.	H	α-helix	trans	-70.9	-14.3	177	-75.3	-84.3	0	0	0	113.7	I29 I30 S31 A35 A36 K42 L45 V54	I29-F33 HydrophobicContact CG2-CD2 3.85Å; I29-F33 HydrophobicContact CG2-CE2 3.72Å; I29-F33 VanDerWaalsContact O-CD2 3.26Å; I29-F33 WeakPolarHBondContact O-CD2 3.23Å; I29-F33 PolarHBondContact O-N 3.15Å; I29-F33 VanDerWaalsContact O-N 3.09Å; I30-F33 PolarHBondContact O-N 3.32Å; S31-F33 PolarHBondContact O-N 3.37Å; F33-A35 PolarHBondContact O-N 3.45Å; F33-A36 PolarHBondContact O-N 3.38Å; F33-K42 HydrophobicContact CD1-CB 4.19Å; F33-K42 HydrophobicContact CD1-CG 4.42Å; F33-K42 VanDerWaalsContact CE1-O 3.22Å; F33-K42 WeakPolarHBondContact CE1-O 3.49Å; F33-K42 PolarHBondContact O-NZ 3.1Å; F33-L45 HydrophobicContact CD1-CB 4.23Å; F33-L45 HydrophobicContact CE1-CB 4.33Å; F33-V54 HydrophobicContact CE2-CG2 4.06Å; F33-V54 HydrophobicContact CZ-CG2 4.14Å
34	G	97.2	Very high	97.5	Very high	54 Å²	54	79.3 Å²	79.3	56%	0.557	44%	0.436	S	S	*	.	H	α-helix	trans	-67.3	-20.1	176.9	0	0	0	0	0	113.7	I30 S31 H32 A36	I30-G34 PolarHBondContact O-N 3.44Å; S31-G34 WeakPolarHBondContact O-CA 3.49Å; S31-G34 PolarHBondContact O-N 3.03Å; H32-G34 PolarHBondContact O-N 3.38Å; G34-A36 PolarHBondContact O-N 2.97Å
35	A	93.6	Very high	97.5	Very high	81 Å²	81	78 Å²	78	67%	0.669	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.7	176.6	0	0	0	0	0	113.5	H32 F33 L45	H32-A35 PolarHBondContact O-N 3.35Å; F33-A35 PolarHBondContact O-N 3.45Å; A35-L45 HydrophobicContact CB-CD1 4.17Å
36	A	96.4	Very high	97.4	Very high	10 Å²	10	79.4 Å²	79.4	8%	0.083	44%	0.442	C	S	.	.			trans	-92.6	141.4	-177.9	0	0	0	0	0	113.3	F33 G34 Q41 K42 L45	F33-A36 PolarHBondContact O-N 3.38Å; G34-A36 PolarHBondContact O-N 2.97Å; A36-Q41 HydrophobicContact CB-CB 3.53Å; A36-K42 HydrophobicContact CB-CB 4.41Å; A36-K42 HydrophobicContact CB-CG 3.6Å; A36-L45 HydrophobicContact CB-CD1 3.57Å
37	R	96.1	Very high	97.4	Very high	239 Å²	239	79.5 Å²	79.5	90%	0.902	44%	0.441	S	S	*	.	S	Bend	trans	-100.9	-6.5	-178.3	-63.6	-175	178.8	179	-0.4	114.3
38	N	96.9	Very high	97.3	Very high	76 Å²	76	78.4 Å²	78.4	41%	0.406	44%	0.44	S	S	.	.	S	Bend	trans	-147.1	169.6	178.2	63.7	54.4	0	0	0	111.8	V40 Q41 K42	N38-V40 PolarHBondContact O-N 3.5Å; N38-V40 PolarHBondContact OD1-N 3.25Å; N38-Q41 PolarHBondContact O-N 3.43Å; N38-Q41 WeakPolarHBondContact OD1-CB 3.49Å; N38-Q41 WeakPolarHBondContact OD1-CG 3.46Å; N38-Q41 PolarHBondContact OD1-N 3.12Å; N38-K42 WeakPolarHBondContact O-CG 3.43Å; N38-K42 PolarHBondContact O-N 3.46Å
39	L	97.4	Very high	97.3	Very high	146 Å²	146	84.2 Å²	84.2	76%	0.764	46%	0.459	S	S	*	.	H	α-helix	trans	-66	-34.9	-175.4	-64.8	178.8	0	0	0	113.2	K42 A43	L39-K42 PolarHBondContact O-N 3.49Å; L39-A43 PolarHBondContact O-N 3.36Å
40	V	97.9	Very high	97.3	Very high	102 Å²	102	88.3 Å²	88.3	62%	0.618	48%	0.481	S	S	*	.	H	α-helix	trans	-65.6	-46.2	179.2	179.5	0	0	0	0	110.3	N38 K42 A43 Q44	N38-V40 PolarHBondContact O-N 3.5Å; N38-V40 PolarHBondContact OD1-N 3.25Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.45Å; V40-A43 WeakPolarHBondContact O-CB 3.49Å; V40-A43 PolarHBondContact O-N 3.12Å; V40-Q44 WeakPolarHBondContact O-CG 3.48Å; V40-Q44 PolarHBondContact O-N 3.49Å
41	Q	97.5	Very high	97.1	Very high	78 Å²	78	83.8 Å²	83.8	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-63.6	-38.6	175.1	-72.6	177	-19.6	0	0	111.8	A36 N38 A43 Q44 L45	A36-Q41 HydrophobicContact CB-CB 3.53Å; N38-Q41 PolarHBondContact O-N 3.43Å; N38-Q41 WeakPolarHBondContact OD1-CB 3.49Å; N38-Q41 WeakPolarHBondContact OD1-CG 3.46Å; N38-Q41 PolarHBondContact OD1-N 3.12Å; Q41-A43 VanDerWaalsContact C-N 3.35Å; Q41-Q44 PolarHBondContact O-N 2.83Å; Q41-L45 WeakPolarHBondContact O-CG 3.18Å; Q41-L45 PolarHBondContact O-N 3.38Å
42	K	97.6	Very high	97.1	Very high	75 Å²	75	83.6 Å²	83.6	33%	0.326	46%	0.455	S	S	.	.	H	α-helix	trans	-62.6	-41.7	173.3	-74.6	-179.5	-176.6	-73.1	0	111.5	F33 A36 N38 L39 V40 Q44 L45 G46	F33-K42 HydrophobicContact CD1-CB 4.19Å; F33-K42 HydrophobicContact CD1-CG 4.42Å; F33-K42 VanDerWaalsContact CE1-O 3.22Å; F33-K42 WeakPolarHBondContact CE1-O 3.49Å; F33-K42 PolarHBondContact O-NZ 3.1Å; A36-K42 HydrophobicContact CB-CB 4.41Å; A36-K42 HydrophobicContact CB-CG 3.6Å; N38-K42 WeakPolarHBondContact O-CG 3.43Å; N38-K42 PolarHBondContact O-N 3.46Å; L39-K42 PolarHBondContact O-N 3.49Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.45Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-Q44 PolarHBondContact O-N 2.7Å; K42-L45 PolarHBondContact O-N 3.43Å; K42-G46 PolarHBondContact O-N 2.6Å
43	A	97.9	Very high	97.1	Very high	68 Å²	68	87 Å²	87	56%	0.562	48%	0.475	S	S	*	.	H	α-helix	trans	-61	-41.5	175.7	0	0	0	0	0	111.8	L39 V40 Q41 G46 D47	L39-A43 PolarHBondContact O-N 3.36Å; V40-A43 WeakPolarHBondContact O-CB 3.49Å; V40-A43 PolarHBondContact O-N 3.12Å; Q41-A43 VanDerWaalsContact C-N 3.35Å; A43-G46 PolarHBondContact O-N 3.02Å; A43-D47 PolarHBondContact O-N 3.2Å; A43-D47 VanDerWaalsContact O-N 3.09Å
44	Q	97.5	Very high	97.1	Very high	101 Å²	101	85 Å²	85	47%	0.472	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-42.2	175.3	-69.4	174	-25.7	0	0	112.5	V40 Q41 K42 G46 D47 L50	V40-Q44 WeakPolarHBondContact O-CG 3.48Å; V40-Q44 PolarHBondContact O-N 3.49Å; Q41-Q44 PolarHBondContact O-N 2.83Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-Q44 PolarHBondContact O-N 2.7Å; Q44-G46 PolarHBondContact O-N 3.49Å; Q44-D47 PolarHBondContact O-N 3.28Å; Q44-L50 HydrophobicContact CB-CD1 4.29Å; Q44-L50 HydrophobicContact CG-CD1 4.11Å
45	L	97.4	Very high	97.1	Very high	38 Å²	38	83.4 Å²	83.4	20%	0.199	45%	0.45	C	S	.	.	H	α-helix	trans	-65.5	-23.4	174.2	-72.1	179.5	0	0	0	113.1	H32 F33 A35 A36 Q41 K42 V54	H32-L45 PolarHBondContact NE2-O 3.14Å; F33-L45 HydrophobicContact CD1-CB 4.23Å; F33-L45 HydrophobicContact CE1-CB 4.33Å; A35-L45 HydrophobicContact CB-CD1 4.17Å; A36-L45 HydrophobicContact CB-CD1 3.57Å; Q41-L45 WeakPolarHBondContact O-CG 3.18Å; Q41-L45 PolarHBondContact O-N 3.38Å; K42-L45 PolarHBondContact O-N 3.43Å; L45-V54 WeakPolarHBondContact O-CB 3.49Å
46	G	97.1	Very high	97.3	Very high	35 Å²	35	85.6 Å²	85.6	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-86.3	-16.4	175.3	0	0	0	0	0	114.5	K42 A43 Q44 S48	K42-G46 PolarHBondContact O-N 2.6Å; A43-G46 PolarHBondContact O-N 3.02Å; Q44-G46 PolarHBondContact O-N 3.49Å; G46-S48 PolarHBondContact O-N 3.46Å
47	D	97.8	Very high	97.4	Very high	61 Å²	61	86.4 Å²	86.4	33%	0.326	45%	0.449	S	S	.	.			trans	-83.9	106.9	175.3	-172.6	-17.4	0	0	0	110	A43 Q44 R49 L50 S51	A43-D47 PolarHBondContact O-N 3.2Å; A43-D47 VanDerWaalsContact O-N 3.09Å; Q44-D47 PolarHBondContact O-N 3.28Å; D47-R49 PolarHBondContact O-N 3.28Å; D47-R49 WeakPolarHBondContact OD1-CB 3.38Å; D47-R49 WeakPolarHBondContact OD1-CG 3.41Å; D47-R49 PolarHBondContact OD1-N 2.72Å; D47-L50 HydrophobicContact CB-CB 4.28Å; D47-L50 HydrophobicContact CB-CD1 4.13Å; D47-L50 HydrophobicContact CB-CG 4.15Å; D47-L50 PolarHBondContact O-N 2.98Å; D47-S51 PolarHBondContact O-N 3.45Å
48	S	97.5	Very high	97.5	Very high	68 Å²	68	77.2 Å²	77.2	48%	0.476	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.7	178.4	60.8	0	0	0	0	115.3	G46 S51 P52	G46-S48 PolarHBondContact O-N 3.46Å; S48-S51 WeakPolarHBondContact CA-O 3.43Å; S48-P52 WeakPolarHBondContact O-CA 3.41Å
49	R	97.5	Very high	97.6	Very high	224 Å²	224	79.4 Å²	79.4	85%	0.845	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-29.7	174.3	-56.9	177.4	-164.9	178.1	6	111.8	D47	D47-R49 PolarHBondContact O-N 3.28Å; D47-R49 WeakPolarHBondContact OD1-CB 3.38Å; D47-R49 WeakPolarHBondContact OD1-CG 3.41Å; D47-R49 PolarHBondContact OD1-N 2.72Å
50	L	97.1	Very high	97.6	Very high	115 Å²	115	75.9 Å²	75.9	60%	0.602	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-37	179.8	-58.7	-179.2	0	0	0	111.8	Q44 D47	Q44-L50 HydrophobicContact CB-CD1 4.29Å; Q44-L50 HydrophobicContact CG-CD1 4.11Å; D47-L50 HydrophobicContact CB-CB 4.28Å; D47-L50 HydrophobicContact CB-CD1 4.13Å; D47-L50 HydrophobicContact CB-CG 4.15Å; D47-L50 PolarHBondContact O-N 2.98Å
51	S	95.8	Very high	97.6	Very high	12 Å²	12	71.9 Å²	71.9	8%	0.084	39%	0.391	C	S	.	.			trans	-127.1	86.3	176.6	-174.9	0	0	0	0	109.5	H32 D47 S48 D53 V54	H32-S51 PolarHBondContact CE1-OG 3.47Å; H32-S51 VanDerWaalsContact CE1-OG 3.32Å; H32-S51 PolarHBondContact NE2-OG 2.8Å; D47-S51 PolarHBondContact O-N 3.45Å; S48-S51 WeakPolarHBondContact CA-O 3.43Å; S51-D53 PolarHBondContact O-N 2.98Å; S51-D53 VanDerWaalsContact O-N 3.12Å; S51-V54 VanDerWaalsContact O-CG1 3.27Å; S51-V54 WeakPolarHBondContact O-CG1 3.49Å; S51-V54 PolarHBondContact O-N 3.01Å
52	P	97.4	Very high	97.6	Very high	86 Å²	86	69.8 Å²	69.8	56%	0.558	38%	0.382	S	S	*	.	H	α-helix	trans	-61.5	-23	-179	25.6	-34.6	0	0	0	112.8	S48 V54 G55 H56	S48-P52 WeakPolarHBondContact O-CA 3.41Å; P52-V54 PolarHBondContact O-N 2.95Å; P52-G55 PolarHBondContact O-N 3.27Å; P52-H56 PolarHBondContact O-N 3.2Å
53	D	96.8	Very high	97.7	Very high	106 Å²	106	68.9 Å²	68.9	57%	0.567	38%	0.384	S	S	*	.	H	α-helix	trans	-55.4	-37.7	176.4	-62.3	-25.6	0	0	0	112.4	S51 G55 H56 L57	S51-D53 PolarHBondContact O-N 2.98Å; S51-D53 VanDerWaalsContact O-N 3.12Å; D53-G55 VanDerWaalsContact C-N 3.32Å; D53-G55 PolarHBondContact O-N 3.05Å; D53-H56 PolarHBondContact O-N 3.41Å; D53-L57 WeakPolarHBondContact O-CB 3.27Å; D53-L57 PolarHBondContact O-N 3.28Å
54	V	97.9	Very high	97.7	Very high	11 Å²	11	68.8 Å²	68.8	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-39.5	177.9	79.9	0	0	0	0	111.4	F33 L45 S51 P52 L57 V58	F33-V54 HydrophobicContact CE2-CG2 4.06Å; F33-V54 HydrophobicContact CZ-CG2 4.14Å; L45-V54 WeakPolarHBondContact O-CB 3.49Å; S51-V54 VanDerWaalsContact O-CG1 3.27Å; S51-V54 WeakPolarHBondContact O-CG1 3.49Å; S51-V54 PolarHBondContact O-N 3.01Å; P52-V54 PolarHBondContact O-N 2.95Å; V54-L57 PolarHBondContact O-N 2.91Å; V54-V58 WeakPolarHBondContact O-CB 3.27Å; V54-V58 VanDerWaalsContact O-CG2 3.27Å; V54-V58 WeakPolarHBondContact O-CG2 3.35Å; V54-V58 PolarHBondContact O-N 3.04Å
55	G	97.8	Very high	97.7	Very high	20 Å²	20	64.4 Å²	64.4	21%	0.206	36%	0.36	C	S	.	.	H	α-helix	trans	-68.1	-45.7	177.9	0	0	0	0	0	111.2	P52 D53 L57 V58 L59	P52-G55 PolarHBondContact O-N 3.27Å; D53-G55 VanDerWaalsContact C-N 3.32Å; D53-G55 PolarHBondContact O-N 3.05Å; G55-L57 VanDerWaalsContact C-N 3.33Å; G55-L57 PolarHBondContact O-N 2.89Å; G55-V58 PolarHBondContact O-N 3.39Å; G55-L59 WeakPolarHBondContact O-CB 3.5Å; G55-L59 VanDerWaalsContact O-CG 3.31Å; G55-L59 WeakPolarHBondContact O-CG 3.49Å; G55-L59 PolarHBondContact O-N 2.89Å
56	H	98.1	Very high	97.8	Very high	126 Å²	126	66.2 Å²	66.2	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-60.4	-44.5	175.7	-173.9	74.5	0	0	0	111.5	P52 D53 L59 T60	P52-H56 PolarHBondContact O-N 3.2Å; D53-H56 PolarHBondContact O-N 3.41Å; H56-L59 PolarHBondContact O-N 2.91Å; H56-T60 WeakPolarHBondContact O-CB 3.31Å; H56-T60 WeakPolarHBondContact O-CG2 3.45Å; H56-T60 PolarHBondContact O-N 3.22Å; H56-T60 PolarHBondContact O-OG1 2.89Å
57	L	98.1	Very high	97.8	Very high	27 Å²	27	69.9 Å²	69.9	14%	0.141	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-48.3	179.1	179.6	61.7	0	0	0	111.6	K28 I29 H32 D53 V54 G55 T60 T61	K28-L57 HydrophobicContact CB-CD1 3.73Å; K28-L57 HydrophobicContact CB-CD2 4.28Å; K28-L57 HydrophobicContact CB-CG 4.5Å; K28-L57 HydrophobicContact CD-CD1 4.17Å; I29-L57 HydrophobicContact CB-CD2 4.29Å; I29-L57 HydrophobicContact CG1-CD2 3.73Å; I29-L57 HydrophobicContact CG1-CG 4Å; H32-L57 HydrophobicContact CB-CD2 3.96Å; D53-L57 WeakPolarHBondContact O-CB 3.27Å; D53-L57 PolarHBondContact O-N 3.28Å; V54-L57 PolarHBondContact O-N 2.91Å; G55-L57 VanDerWaalsContact C-N 3.33Å; G55-L57 PolarHBondContact O-N 2.89Å; L57-T60 PolarHBondContact O-OG1 3.08Å; L57-T61 HydrophobicContact CD1-CG2 3.88Å; L57-T61 WeakPolarHBondContact O-CB 3.33Å; L57-T61 PolarHBondContact O-N 3.37Å; L57-T61 PolarHBondContact O-OG1 3.43Å
58	V	98.4	Very high	97.8	Very high	46 Å²	46	68.9 Å²	68.9	28%	0.279	38%	0.377	S	S	.	.	I	π-helix	trans	-61.4	-47.5	177.4	169.6	0	0	0	0	111.1	I29 V54 G55 T60 L62 C63	I29-V58 HydrophobicContact CD1-CG2 4.12Å; V54-V58 WeakPolarHBondContact O-CB 3.27Å; V54-V58 VanDerWaalsContact O-CG2 3.27Å; V54-V58 WeakPolarHBondContact O-CG2 3.35Å; V54-V58 PolarHBondContact O-N 3.04Å; G55-V58 PolarHBondContact O-N 3.39Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.8Å; V58-L62 PolarHBondContact O-N 2.88Å; V58-L62 VanDerWaalsContact O-N 3.14Å; V58-C63 PolarHBondContact O-N 3.42Å
59	L	98.4	Very high	97.8	Very high	122 Å²	122	68.6 Å²	68.6	64%	0.639	37%	0.37	S	S	*	.	I	π-helix	trans	-68	-30.3	-176.6	-73.4	172.6	0	0	0	113.6	G55 H56 P64	G55-L59 WeakPolarHBondContact O-CB 3.5Å; G55-L59 VanDerWaalsContact O-CG 3.31Å; G55-L59 WeakPolarHBondContact O-CG 3.49Å; G55-L59 PolarHBondContact O-N 2.89Å; H56-L59 PolarHBondContact O-N 2.91Å; L59-P64 VanDerWaalsContact O-CD 3.24Å; L59-P64 WeakPolarHBondContact O-CD 3.4Å
60	T	98.2	Very high	97.8	Very high	72 Å²	72	61 Å²	61	44%	0.442	35%	0.348	S	S	.	.	I	π-helix	trans	-95.5	-18	-177.4	57.1	0	0	0	0	114.1	H56 L57 V58	H56-T60 WeakPolarHBondContact O-CB 3.31Å; H56-T60 WeakPolarHBondContact O-CG2 3.45Å; H56-T60 PolarHBondContact O-N 3.22Å; H56-T60 PolarHBondContact O-OG1 2.89Å; L57-T60 PolarHBondContact O-OG1 3.08Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.8Å
61	T	98.1	Very high	97.7	Very high	18 Å²	18	57.3 Å²	57.3	11%	0.11	33%	0.334	C	S	.	.	I	π-helix	trans	-117.6	-67.6	-177.1	67.6	0	0	0	0	111.6	S25 K28 L57 P64 A65	S25-T61 VanDerWaalsContact OG-C 3.22Å; S25-T61 WeakPolarHBondContact OG-CB 3.49Å; S25-T61 PolarHBondContact OG-O 3.17Å; K28-T61 HydrophobicContact CD-CG2 3.97Å; L57-T61 HydrophobicContact CD1-CG2 3.88Å; L57-T61 WeakPolarHBondContact O-CB 3.33Å; L57-T61 PolarHBondContact O-N 3.37Å; L57-T61 PolarHBondContact O-OG1 3.43Å; T61-P64 WeakPolarHBondContact O-CD 3.33Å; T61-A65 WeakPolarHBondContact O-CB 3.29Å; T61-A65 PolarHBondContact O-N 3.18Å
62	L	98.4	Very high	97.7	Very high	35 Å²	35	60 Å²	60	18%	0.183	35%	0.347	C	S	.	.	I	π-helix	trans	-70	-43.9	-171.5	-174.7	63.5	0	0	0	112.6	V22 V26 I29 V58 A65 L66	V22-L62 HydrophobicContact CG1-CD1 4.34Å; V26-L62 HydrophobicContact CG2-CD1 4.32Å; I29-L62 HydrophobicContact CD1-CB 4.1Å; I29-L62 HydrophobicContact CD1-CD2 3.77Å; I29-L62 HydrophobicContact CD1-CG 4.46Å; V58-L62 PolarHBondContact O-N 2.88Å; V58-L62 VanDerWaalsContact O-N 3.14Å; L62-A65 PolarHBondContact O-N 3.41Å; L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.02Å; L62-L66 HydrophobicContact CD2-CD1 4.44Å; L62-L66 HydrophobicContact CG-CD1 3.88Å; L62-L66 HydrophobicContact CG-CG 4.26Å; L62-L66 WeakPolarHBondContact O-CB 3.43Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 3.26Å
63	C	98.3	Very high	97.5	Very high	55 Å²	55	59.5 Å²	59.5	37%	0.372	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-49.8	-179.6	-73.8	0	0	0	0	112.3	V58 A65 L66 H67	V58-C63 PolarHBondContact O-N 3.42Å; C63-A65 PolarHBondContact O-N 2.96Å; C63-L66 PolarHBondContact O-N 3.04Å; C63-H67 VanDerWaalsContact O-CB 3.23Å; C63-H67 WeakPolarHBondContact O-CB 3.35Å; C63-H67 PolarHBondContact O-N 3.49Å
64	P	98.4	Very high	97.3	Very high	67 Å²	67	57.1 Å²	57.1	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-40.3	174.1	-26.3	34.8	0	0	0	113.5	L59 T61 H67 A68	L59-P64 VanDerWaalsContact O-CD 3.24Å; L59-P64 WeakPolarHBondContact O-CD 3.4Å; T61-P64 WeakPolarHBondContact O-CD 3.33Å; P64-H67 PolarHBondContact O-N 3.38Å; P64-A68 WeakPolarHBondContact O-CB 3.46Å; P64-A68 PolarHBondContact O-N 3.37Å
65	A	98.3	Very high	97.2	Very high	9 Å²	9	64.5 Å²	64.5	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-46.6	179.3	0	0	0	0	0	111.9	A21 V22 T61 L62 C63 A68 L69	A21-A65 HydrophobicContact CB-CB 4.07Å; V22-A65 HydrophobicContact CG2-CB 3.86Å; T61-A65 WeakPolarHBondContact O-CB 3.29Å; T61-A65 PolarHBondContact O-N 3.18Å; L62-A65 PolarHBondContact O-N 3.41Å; C63-A65 PolarHBondContact O-N 2.96Å; A65-A68 PolarHBondContact O-N 2.85Å; A65-L69 WeakPolarHBondContact O-CB 3.49Å; A65-L69 PolarHBondContact O-N 3.09Å
66	L	98.3	Very high	96.9	Very high	76 Å²	76	68 Å²	68	40%	0.398	40%	0.395	S	S	.	.	H	α-helix	trans	-67.8	-38.9	175.9	-68.3	177.6	0	0	0	112	V22 L62 C63 A68 L69 V70	V22-L66 HydrophobicContact CG1-CD2 4.49Å; V22-L66 HydrophobicContact CG2-CD2 4.17Å; L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.02Å; L62-L66 HydrophobicContact CD2-CD1 4.44Å; L62-L66 HydrophobicContact CG-CD1 3.88Å; L62-L66 HydrophobicContact CG-CG 4.26Å; L62-L66 WeakPolarHBondContact O-CB 3.43Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 3.26Å; C63-L66 PolarHBondContact O-N 3.04Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.4Å; L66-L69 PolarHBondContact O-N 2.97Å; L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.32Å
67	H	98.1	Very high	96.8	Very high	111 Å²	111	66.6 Å²	66.6	51%	0.514	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-46.1	175.8	-177.3	-74.4	0	0	0	111	C63 P64 V70 A71 P90	C63-H67 VanDerWaalsContact O-CB 3.23Å; C63-H67 WeakPolarHBondContact O-CB 3.35Å; C63-H67 PolarHBondContact O-N 3.49Å; P64-H67 PolarHBondContact O-N 3.38Å; H67-V70 PolarHBondContact O-N 3.04Å; H67-A71 WeakPolarHBondContact O-CB 3.35Å; H67-A71 PolarHBondContact O-N 3.03Å; H67-P90 WeakPolarHBondContact NE2-CG 3.36Å
68	A	97.5	Very high	96.4	Very high	41 Å²	41	68.9 Å²	68.9	34%	0.339	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-42.3	176.2	0	0	0	0	0	111.8	L18 P64 A65 L66 A71 D72	L18-A68 HydrophobicContact CD2-CB 3.87Å; P64-A68 WeakPolarHBondContact O-CB 3.46Å; P64-A68 PolarHBondContact O-N 3.37Å; A65-A68 PolarHBondContact O-N 2.85Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.4Å; A68-A71 PolarHBondContact O-N 2.96Å; A68-D72 PolarHBondContact O-N 3.09Å
69	L	97.3	Very high	96.1	Very high	62 Å²	62	76.4 Å²	76.4	33%	0.325	42%	0.423	S	S	.	.	H	α-helix	trans	-62.9	-42.7	177.9	-174.9	66.6	0	0	0	112.5	L18 L19 V22 A65 L66 D72	L18-L69 HydrophobicContact CB-CD1 3.9Å; L18-L69 HydrophobicContact CD1-CD1 4.25Å; L19-L69 HydrophobicContact CD2-CD1 4.3Å; L19-L69 HydrophobicContact CD2-CD2 4.45Å; V22-L69 HydrophobicContact CG2-CD2 4.35Å; A65-L69 WeakPolarHBondContact O-CB 3.49Å; A65-L69 PolarHBondContact O-N 3.09Å; L66-L69 PolarHBondContact O-N 2.97Å; L69-D72 WeakPolarHBondContact O-CB 3.43Å; L69-D72 PolarHBondContact O-N 3.42Å
70	V	97	Very high	95.8	Very high	63 Å²	63	71.8 Å²	71.8	38%	0.382	40%	0.399	S	S	.	.	H	α-helix	trans	-74.4	-29.5	178.3	176.6	0	0	0	0	111.7	L66 H67 D72 P90 V93	L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.32Å; H67-V70 PolarHBondContact O-N 3.04Å; V70-D72 VanDerWaalsContact C-N 3.32Å; V70-P90 HydrophobicContact CB-CB 4.07Å; V70-P90 HydrophobicContact CB-CG 4.37Å; V70-P90 HydrophobicContact CG1-CB 3.72Å; V70-P90 HydrophobicContact CG1-CG 4.28Å; V70-V93 HydrophobicContact CG1-CB 4.06Å; V70-V93 HydrophobicContact CG1-CG1 4.26Å; V70-V93 HydrophobicContact CG1-CG2 4.06Å
71	A	96.4	Very high	95.4	Very high	38 Å²	38	77.1 Å²	77.1	31%	0.314	42%	0.424	S	S	.	.	H	α-helix	trans	-75.8	-19	175.1	0	0	0	0	0	113.1	H67 A68 G73 L74 P90	H67-A71 WeakPolarHBondContact O-CB 3.35Å; H67-A71 PolarHBondContact O-N 3.03Å; A68-A71 PolarHBondContact O-N 2.96Å; A71-G73 PolarHBondContact O-N 3.32Å; A71-L74 VanDerWaalsContact O-CB 3.26Å; A71-L74 WeakPolarHBondContact O-CB 3.4Å; A71-L74 PolarHBondContact O-N 3.14Å; A71-P90 HydrophobicContact CB-CG 3.92Å
72	D	95.9	Very high	95.1	Very high	69 Å²	69	83.6 Å²	83.6	37%	0.369	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	122.2	179.6	-173	56.9	0	0	0	111.3	L18 A68 L69 V70 L74	L18-D72 HydrophobicContact CD1-CB 3.65Å; A68-D72 PolarHBondContact O-N 3.09Å; L69-D72 WeakPolarHBondContact O-CB 3.43Å; L69-D72 PolarHBondContact O-N 3.42Å; V70-D72 VanDerWaalsContact C-N 3.32Å; D72-L74 PolarHBondContact O-N 2.94Å
73	G	91.1	Very high	94.8	Very high	75 Å²	75	86 Å²	86	77%	0.773	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	8.6	-177.5	0	0	0	0	0	115.4	A71 K75	A71-G73 PolarHBondContact O-N 3.32Å; G73-K75 PolarHBondContact O-N 3.37Å
74	L	94	Very high	94.6	Very high	57 Å²	57	85.9 Å²	85.9	30%	0.298	48%	0.481	S	S	.	.			trans	-69.9	125.9	178.2	-168.5	68	0	0	0	110.4	A71 D72 S89 V93	A71-L74 VanDerWaalsContact O-CB 3.26Å; A71-L74 WeakPolarHBondContact O-CB 3.4Å; A71-L74 PolarHBondContact O-N 3.14Å; D72-L74 PolarHBondContact O-N 2.94Å; L74-S89 VanDerWaalsContact CD2-C 3.47Å; L74-V93 HydrophobicContact CD1-CG2 3.69Å; L74-V93 HydrophobicContact CD2-CG2 4.46Å
75	K	95.1	Very high	94.3	Very high	165 Å²	165	88.4 Å²	88.4	72%	0.717	49%	0.487	S	S	*	.			trans	-59.6	134.2	174.7	-66.9	179.5	-178.4	177.3	0	109.5	G73 F77 S88	G73-K75 PolarHBondContact O-N 3.37Å; K75-F77 PolarHBondContact O-N 3.11Å; K75-F77 VanDerWaalsContact O-N 3.09Å; K75-S88 WeakPolarHBondContact O-CB 3.37Å; K75-S88 PolarHBondContact O-OG 2.98Å
76	P	92.8	Very high	94.1	Very high	95 Å²	95	93.4 Å²	93.4	62%	0.617	50%	0.504	S	S	*	.	S	Bend	trans	-63.5	-23.8	-173.5	24	-34	0	0	0	113.6	R87 S88	P76-R87 WeakPolarHBondContact O-CA 3.26Å; P76-S88 PolarHBondContact O-N 3.33Å
77	F	94.3	Very high	93.9	Very high	96 Å²	96	99 Å²	99	42%	0.421	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.2	178.3	-60.1	-86.9	0	0	0	111.7	K75 R86 R87 S88	K75-F77 PolarHBondContact O-N 3.11Å; K75-F77 VanDerWaalsContact O-N 3.09Å; F77-R86 CarbonylContact C-O 3.56Å; F77-R86 VanDerWaalsContact CA-O 3.27Å; F77-R86 WeakPolarHBondContact CA-O 3.44Å; F77-R87 HydrophobicContact CD1-CG 3.95Å; F77-R87 HydrophobicContact CE1-CG 3.49Å; F77-R87 VanDerWaalsContact CE1-CG 3.49Å; F77-R87 HydrophobicContact CZ-CG 4.19Å; F77-S88 VanDerWaalsContact C-OG 3.31Å
78	R	90.9	Very high	93.6	Very high	74 Å²	74	95 Å²	95	28%	0.279	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.9	168.9	70.6	179.8	-168.2	-168.3	-5.2	109.9	Q85 R86 S88 S92 E95	R78-Q85 CarbonylContact O-C 3.13Å; R78-Q85 VanDerWaalsContact O-CA 3.28Å; R78-Q85 WeakPolarHBondContact O-CA 3.4Å; R78-R86 HydrophobicContact CG-CB 4.4Å; R78-R86 PolarHBondContact N-O 3.28Å; R78-R86 PolarHBondContact O-N 2.93Å; R78-S88 PolarHBondContact N-OG 3.15Å; R78-S92 PolarHBondContact NH1-O 3.36Å; R78-E95 IonicContact CZ-OE2 3.34Å; R78-E95 IonicContact NH1-OE2 2.92Å; R78-E95 PolarHBondContact NH1-OE2 3.45Å; R78-E95 IonicContact NH2-OE2 2.78Å; R78-E95 PolarHBondContact NH2-OE2 3.12Å
79	K	91.9	Very high	93.5	Very high	204 Å²	204	95.1 Å²	95.1	89%	0.887	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.2	173.2	-69.4	-173	177.5	-176.7	0	109.9
80	D	91	Very high	93.5	Very high	25 Å²	25	93 Å²	93	13%	0.134	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.5	179.2	-171.3	-41.4	0	0	0	107.5	I82 T83 G84 R86	D80-I82 VanDerWaalsContact C-N 3.26Å; D80-I82 PolarHBondContact O-N 3.3Å; D80-I82 WeakPolarHBondContact OD1-CB 3.35Å; D80-I82 PolarHBondContact OD1-N 2.89Å; D80-T83 PolarHBondContact OD1-N 3.25Å; D80-G84 PolarHBondContact N-O 3.29Å; D80-G84 CarbonylContact O-C 3.54Å; D80-G84 WeakPolarHBondContact O-CA 3.44Å; D80-G84 PolarHBondContact O-N 3.25Å; D80-G84 VanDerWaalsContact O-O 3.09Å; D80-R86 HydrophobicContact CB-CB 4.13Å; D80-R86 IonicContact OD2-CZ 3.55Å; D80-R86 IonicContact OD2-NE 2.96Å; D80-R86 PolarHBondContact OD2-NE 3.22Å; D80-R86 IonicContact OD2-NH2 3.42Å; D80-R86 PolarHBondContact OD2-NH2 3.09Å
81	L	90.7	Very high	93.4	Very high	184 Å²	184	97.7 Å²	97.7	96%	0.963	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.3	-177.1	-66.7	173.8	0	0	0	112.7
82	I	92.3	Very high	93.3	Very high	154 Å²	154	96.4 Å²	96.4	79%	0.79	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-48.5	-176.9	-57.1	172.9	0	0	0	109.9	D80	D80-I82 VanDerWaalsContact C-N 3.26Å; D80-I82 PolarHBondContact O-N 3.3Å; D80-I82 WeakPolarHBondContact OD1-CB 3.35Å; D80-I82 PolarHBondContact OD1-N 2.89Å
83	T	91.9	Very high	93.3	Very high	86 Å²	86	95.7 Å²	95.7	53%	0.528	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	3.7	-175.1	64.1	0	0	0	0	113.7	D80 Q85	D80-T83 PolarHBondContact OD1-N 3.25Å; T83-Q85 PolarHBondContact O-N 3.49Å; T83-Q85 PolarHBondContact OG1-O 3.03Å
84	G	93.8	Very high	93.4	Very high	52 Å²	52	95 Å²	95	54%	0.536	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78	-52.6	-172.6	0	0	0	0	0	112.9	D80	D80-G84 PolarHBondContact N-O 3.29Å; D80-G84 CarbonylContact O-C 3.54Å; D80-G84 WeakPolarHBondContact O-CA 3.44Å; D80-G84 PolarHBondContact O-N 3.25Å; D80-G84 VanDerWaalsContact O-O 3.09Å
85	Q	92.3	Very high	93.3	Very high	121 Å²	121	96.3 Å²	96.3	57%	0.565	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.5	173.8	62.3	-178.5	-16.8	0	0	112.1	R78 T83	R78-Q85 CarbonylContact O-C 3.13Å; R78-Q85 VanDerWaalsContact O-CA 3.28Å; R78-Q85 WeakPolarHBondContact O-CA 3.4Å; T83-Q85 PolarHBondContact O-N 3.49Å; T83-Q85 PolarHBondContact OG1-O 3.03Å
86	R	93	Very high	93.1	Very high	114 Å²	114	92.6 Å²	92.6	43%	0.43	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.8	176.6	-173.8	-174	-71	-143.7	-8.4	109.8	F77 R78 D80 S88	F77-R86 CarbonylContact C-O 3.56Å; F77-R86 VanDerWaalsContact CA-O 3.27Å; F77-R86 WeakPolarHBondContact CA-O 3.44Å; R78-R86 HydrophobicContact CG-CB 4.4Å; R78-R86 PolarHBondContact N-O 3.28Å; R78-R86 PolarHBondContact O-N 2.93Å; D80-R86 HydrophobicContact CB-CB 4.13Å; D80-R86 IonicContact OD2-CZ 3.55Å; D80-R86 IonicContact OD2-NE 2.96Å; D80-R86 PolarHBondContact OD2-NE 3.22Å; D80-R86 IonicContact OD2-NH2 3.42Å; D80-R86 PolarHBondContact OD2-NH2 3.09Å; R86-S88 PolarHBondContact O-N 3.18Å
87	R	94.1	Very high	93.1	Very high	193 Å²	193	92 Å²	92	73%	0.728	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	134.1	172.3	-76.6	-171.6	179.3	-172	0.9	110.5	P76 F77	P76-R87 WeakPolarHBondContact O-CA 3.26Å; F77-R87 HydrophobicContact CD1-CG 3.95Å; F77-R87 HydrophobicContact CE1-CG 3.49Å; F77-R87 VanDerWaalsContact CE1-CG 3.49Å; F77-R87 HydrophobicContact CZ-CG 4.19Å
88	S	93.6	Very high	93	Very high	26 Å²	26	92 Å²	92	18%	0.182	48%	0.481	C	S	.	.			trans	-83	143.5	171.9	-48.1	0	0	0	0	109.8	K75 P76 F77 R78 R86	K75-S88 WeakPolarHBondContact O-CB 3.37Å; K75-S88 PolarHBondContact O-OG 2.98Å; P76-S88 PolarHBondContact O-N 3.33Å; F77-S88 VanDerWaalsContact C-OG 3.31Å; R78-S88 PolarHBondContact N-OG 3.15Å; R86-S88 PolarHBondContact O-N 3.18Å
89	S	95.4	Very high	92.4	Very high	45 Å²	45	97.5 Å²	97.5	32%	0.315	51%	0.507	S	S	.	.			trans	-138.9	169	170.5	60.9	0	0	0	0	109	L74 W91 S92 V93	L74-S89 VanDerWaalsContact CD2-C 3.47Å; S89-W91 PolarHBondContact O-N 3.29Å; S89-W91 VanDerWaalsContact O-N 3.16Å; S89-W91 PolarHBondContact OG-N 3.09Å; S89-S92 PolarHBondContact N-OG 3.34Å; S89-S92 VanDerWaalsContact N-OG 3.17Å; S89-S92 WeakPolarHBondContact O-CA 3.48Å; S89-S92 WeakPolarHBondContact O-CB 3.35Å; S89-S92 PolarHBondContact O-N 3.42Å; S89-S92 PolarHBondContact OG-N 3.39Å; S89-S92 PolarHBondContact OG-OG 3.26Å; S89-V93 PolarHBondContact O-N 3.42Å
90	P	96.3	Very high	91.4	Very high	16 Å²	16	93.3 Å²	93.3	10%	0.104	50%	0.5	C	S	.	.	H	α-helix	trans	-52.6	-33.9	169.6	-33.5	42.3	0	0	0	113.3	H67 V70 A71 S92 V93 V94	H67-P90 WeakPolarHBondContact NE2-CG 3.36Å; V70-P90 HydrophobicContact CB-CB 4.07Å; V70-P90 HydrophobicContact CB-CG 4.37Å; V70-P90 HydrophobicContact CG1-CB 3.72Å; V70-P90 HydrophobicContact CG1-CG 4.28Å; A71-P90 HydrophobicContact CB-CG 3.92Å; P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 3Å; P90-V93 WeakPolarHBondContact O-CB 3.43Å; P90-V93 PolarHBondContact O-N 2.94Å; P90-V94 PolarHBondContact O-N 3.45Å; P90-V94 VanDerWaalsContact O-N 3.16Å
91	W	95.4	Very high	90.3	Very high	162 Å²	162	96.6 Å²	96.6	61%	0.614	53%	0.531	S	S	*	.	H	α-helix	trans	-60.2	-38	172.9	-177.6	-106.2	0	0	0	112.9	S89 V93 V94 E95	S89-W91 PolarHBondContact O-N 3.29Å; S89-W91 VanDerWaalsContact O-N 3.16Å; S89-W91 PolarHBondContact OG-N 3.09Å; W91-V93 PolarHBondContact O-N 3.48Å; W91-V94 HydrophobicContact CE3-CB 4.17Å; W91-V94 HydrophobicContact CE3-CG1 4.26Å; W91-V94 HydrophobicContact CE3-CG2 4.45Å; W91-V94 HydrophobicContact CH2-CG1 4.49Å; W91-V94 HydrophobicContact CZ3-CB 4.42Å; W91-V94 HydrophobicContact CZ3-CG1 3.99Å; W91-V94 WeakPolarHBondContact O-CB 3.42Å; W91-V94 PolarHBondContact O-N 3.15Å; W91-V94 VanDerWaalsContact O-N 3.1Å; W91-E95 PolarHBondContact NE1-OE1 2.88Å; W91-E95 WeakPolarHBondContact O-CG 3.22Å; W91-E95 PolarHBondContact O-N 3.35Å
92	S	93.9	Very high	88.9	Confident	11 Å²	11	99.2 Å²	99.2	8%	0.077	53%	0.528	C	S	.	.	H	α-helix	trans	-60.6	-29.9	174.7	-57	0	0	0	0	113.2	R78 S89 P90 A96	R78-S92 PolarHBondContact NH1-O 3.36Å; S89-S92 PolarHBondContact N-OG 3.34Å; S89-S92 VanDerWaalsContact N-OG 3.17Å; S89-S92 WeakPolarHBondContact O-CA 3.48Å; S89-S92 WeakPolarHBondContact O-CB 3.35Å; S89-S92 PolarHBondContact O-N 3.42Å; S89-S92 PolarHBondContact OG-N 3.39Å; S89-S92 PolarHBondContact OG-OG 3.26Å; P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 3Å; S92-A96 PolarHBondContact O-N 2.84Å
93	V	94.9	Very high	87.2	Confident	54 Å²	54	97 Å²	97	33%	0.327	53%	0.527	S	S	.	.	H	α-helix	trans	-75	-40.2	175	-178.3	0	0	0	0	110.4	V70 L74 S89 P90 W91 A96 S97	V70-V93 HydrophobicContact CG1-CB 4.06Å; V70-V93 HydrophobicContact CG1-CG1 4.26Å; V70-V93 HydrophobicContact CG1-CG2 4.06Å; L74-V93 HydrophobicContact CD1-CG2 3.69Å; L74-V93 HydrophobicContact CD2-CG2 4.46Å; S89-V93 PolarHBondContact O-N 3.42Å; P90-V93 WeakPolarHBondContact O-CB 3.43Å; P90-V93 PolarHBondContact O-N 2.94Å; W91-V93 PolarHBondContact O-N 3.48Å; V93-A96 PolarHBondContact O-N 2.88Å; V93-S97 WeakPolarHBondContact O-CB 3.46Å; V93-S97 PolarHBondContact O-N 3.3Å; V93-S97 PolarHBondContact O-OG 3.2Å
94	V	95	Very high	85.1	Confident	61 Å²	61	97.6 Å²	97.6	37%	0.37	54%	0.54	S	S	.	.	H	α-helix	trans	-58.2	-50.5	173.5	177.9	0	0	0	0	110.6	P90 W91 A96 S97 V98	P90-V94 PolarHBondContact O-N 3.45Å; P90-V94 VanDerWaalsContact O-N 3.16Å; W91-V94 HydrophobicContact CE3-CB 4.17Å; W91-V94 HydrophobicContact CE3-CG1 4.26Å; W91-V94 HydrophobicContact CE3-CG2 4.45Å; W91-V94 HydrophobicContact CH2-CG1 4.49Å; W91-V94 HydrophobicContact CZ3-CB 4.42Å; W91-V94 HydrophobicContact CZ3-CG1 3.99Å; W91-V94 WeakPolarHBondContact O-CB 3.42Å; W91-V94 PolarHBondContact O-N 3.15Å; W91-V94 VanDerWaalsContact O-N 3.1Å; V94-A96 PolarHBondContact O-N 2.78Å; V94-S97 WeakPolarHBondContact CA-OG 3.45Å; V94-S97 PolarHBondContact O-N 2.86Å; V94-S97 PolarHBondContact O-OG 3.47Å; V94-V98 HydrophobicContact CG1-CG2 4.17Å; V94-V98 WeakPolarHBondContact O-CG2 3.47Å; V94-V98 PolarHBondContact O-N 3.44Å
95	E	91.1	Very high	82.9	Confident	84 Å²	84	104.7 Å²	104.7	39%	0.393	57%	0.573	S	S	.	*	H	α-helix	trans	-54.4	-38.4	175.9	-69.5	175.9	156.6	0	0	112.9	R78 W91	R78-E95 IonicContact CZ-OE2 3.34Å; R78-E95 IonicContact NH1-OE2 2.92Å; R78-E95 PolarHBondContact NH1-OE2 3.45Å; R78-E95 IonicContact NH2-OE2 2.78Å; R78-E95 PolarHBondContact NH2-OE2 3.12Å; W91-E95 PolarHBondContact NE1-OE1 2.88Å; W91-E95 WeakPolarHBondContact O-CG 3.22Å; W91-E95 PolarHBondContact O-N 3.35Å
96	A	90.9	Very high	82.4	Confident	87 Å²	87	103.9 Å²	103.9	72%	0.719	57%	0.573	S	S	*	*	H	α-helix	trans	-80.6	-26	-177.1	0	0	0	0	0	113.7	S92 V93 V94	S92-A96 PolarHBondContact O-N 2.84Å; V93-A96 PolarHBondContact O-N 2.88Å; V94-A96 PolarHBondContact O-N 2.78Å
97	S	92.8	Very high	81.8	Confident	82 Å²	82	103.4 Å²	103.4	57%	0.573	58%	0.581	S	S	*	*	H	α-helix	trans	-95.1	-29.1	-173.4	52.5	0	0	0	0	113.3	V93 V94 K99	V93-S97 WeakPolarHBondContact O-CB 3.46Å; V93-S97 PolarHBondContact O-N 3.3Å; V93-S97 PolarHBondContact O-OG 3.2Å; V94-S97 WeakPolarHBondContact CA-OG 3.45Å; V94-S97 PolarHBondContact O-N 2.86Å; V94-S97 PolarHBondContact O-OG 3.47Å; S97-K99 PolarHBondContact O-N 3.02Å
98	V	92.8	Very high	81.2	Confident	96 Å²	96	98.4 Å²	98.4	58%	0.582	57%	0.573	S	S	*	*			trans	-88.9	104.5	178.2	-178.2	0	0	0	0	108.9	V94	V94-V98 HydrophobicContact CG1-CG2 4.17Å; V94-V98 WeakPolarHBondContact O-CG2 3.47Å; V94-V98 PolarHBondContact O-N 3.44Å
99	K	76.9	Confident	80.4	Confident	190 Å²	190	102.6 Å²	102.6	83%	0.826	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-71.1	127.4	167.5	-72.7	175.4	-176.9	165.5	0	108.2	S97 A101	S97-K99 PolarHBondContact O-N 3.02Å; K99-A101 PolarHBondContact O-N 2.88Å
100	P	72.3	Confident	79.5	Confident	116 Å²	116	106.3 Å²	106.3	75%	0.753	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-54.5	129.8	164.5	-18.6	29.8	0	0	0	107.5	R102	P100-R102 PolarHBondContact O-N 3.32Å; P100-R102 VanDerWaalsContact O-N 3.11Å
101	A	66.1	Low	78.4	Confident	95 Å²	95	112.3 Å²	112.3	79%	0.785	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-51.2	126.2	169.5	0	0	0	0	0	106.8	K99 S103	K99-A101 PolarHBondContact O-N 2.88Å; A101-S103 PolarHBondContact O-N 3.03Å
102	R	62.3	Low	77.2	Confident	238 Å²	238	108.7 Å²	108.7	90%	0.898	65%	0.65	S	S	*	*			trans	-56.2	114.5	173.7	-67.2	-178	-168.8	-162.1	2.5	105.4	P100 A104	P100-R102 PolarHBondContact O-N 3.32Å; P100-R102 VanDerWaalsContact O-N 3.11Å; R102-A104 PolarHBondContact O-N 3.45Å
103	S	56.5	Low	75.9	Confident	109 Å²	109	116.2 Å²	116.2	76%	0.762	69%	0.694	S	S	*	*			trans	-63.8	95.2	163	-156.7	0	0	0	0	104.2	A101 V105	A101-S103 PolarHBondContact O-N 3.03Å; S103-V105 PolarHBondContact O-N 3.22Å
104	A	48.8	Very low	74.3	Confident	98 Å²	98	121.4 Å²	121.4	81%	0.81	72%	0.724	S	S	*	*			trans	-65.3	95.1	167.9	0	0	0	0	0	105.2	R102	R102-A104 PolarHBondContact O-N 3.45Å
105	V	45.9	Very low	72.4	Confident	201 Å²	201	126.9 Å²	126.9	100%	1.218	76%	0.756	S	S	*	*			trans	-85.8	0	157.9	178.1	0	0	0	0	106.5	S103	S103-V105 PolarHBondContact O-N 3.22Å

Retrieved 105 of 105 residues in 176.1 ms (Link to these results)

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