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E3 ubiquitin-protein ligase RNF138

E3 ubiquitin-protein ligase involved in DNA damage response by promoting DNA resection and homologous recombination. Recruited to sites of double-strand breaks following DNA damage and specifically promotes double-strand break repair via homologous recombination. Two different, non-exclusive, mechanisms have been proposed. According to a report, regulates the choice of double-strand break repair by favoring homologous recombination over non-homologous end joining (NHEJ): acts by mediating ubiquitination of XRCC5/Ku80, leading to remove the Ku complex from DNA breaks, thereby promoting homologous recombination. According to another report, cooperates with UBE2Ds E2 ubiquitin ligases (UBE2D1, UBE2D2, UBE2D3 or UBE2D4) to promote homologous recombination by mediating ubiquitination of RBBP8/CtIP. Together with NLK, involved in the ubiquitination and degradation of TCF/LEF. Also exhibits auto-ubiquitination activity in combination with UBE2K. May act as a negative regulator in the Wnt/beta-catenin-mediated signaling pathway.

AlphaFold DB , UniProt , Accession Q99PD2, Species RAT (Rattus norvegicus, Rat), Gene Rnf138, Length 209 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	44	Very low	53.7	Low	231 Å²	231	135.8 Å²	135.8	100%	1.138	76%	0.76	S	S	*	*				0	91.6	0	-67.2	-60.1	176	0	0	106.7
2	S	47.7	Very low	56.6	Low	116 Å²	116	130.8 Å²	130.8	81%	0.811	74%	0.735	S	S	*	*			trans	-117.9	95.1	176.8	-58.4	0	0	0	0	106.2	E4	S2-E4 PolarHBondContact O-N 3.28Å
3	E	49.1	Very low	58.9	Low	185 Å²	185	127.5 Å²	127.5	86%	0.864	71%	0.71	S	S	*	*			trans	-82	95.7	174	-66.6	180	120.6	0	0	107.6	L5	E3-L5 PolarHBondContact O-N 3.45Å
4	E	45.2	Very low	61	Low	177 Å²	177	127.1 Å²	127.1	83%	0.827	71%	0.706	S	S	*	*			trans	-71.4	102.9	167.4	-75.6	-170.9	132.7	0	0	108.9	S2 S6	S2-E4 PolarHBondContact O-N 3.28Å; E4-S6 PolarHBondContact O-N 3.25Å
5	L	44.1	Very low	63.2	Low	166 Å²	166	123.7 Å²	123.7	87%	0.869	69%	0.686	S	S	*	*			trans	-88.4	80.6	173.4	-134.7	120.5	0	0	0	109.3	E3 A7	E3-L5 PolarHBondContact O-N 3.45Å; L5-A7 PolarHBondContact O-N 3.24Å
6	S	44.1	Very low	65.3	Low	102 Å²	102	116.1 Å²	116.1	71%	0.713	64%	0.644	S	S	*	*			trans	-79.8	84.5	169.6	32.9	0	0	0	0	110.2	E4 D8	E4-S6 PolarHBondContact O-N 3.25Å; S6-D8 PolarHBondContact O-N 3.42Å
7	A	46.9	Very low	67.1	Low	85 Å²	85	110.8 Å²	110.8	70%	0.702	61%	0.612	S	S	*	*			trans	-73.5	83.1	158.9	0	0	0	0	0	108.2	L5 T9	L5-A7 PolarHBondContact O-N 3.24Å; A7-T9 VanDerWaalsContact C-N 3.26Å; A7-T9 PolarHBondContact O-N 2.94Å
8	D	49.5	Very low	68.8	Low	150 Å²	150	104.7 Å²	104.7	80%	0.802	58%	0.578	S	S	*	*			trans	-80.6	76.8	178.3	-149.1	15.9	0	0	0	109.1	S6 S10	S6-D8 PolarHBondContact O-N 3.42Å; D8-S10 PolarHBondContact O-N 3.18Å; D8-S10 VanDerWaalsContact O-N 3.13Å
9	T	60.8	Low	70.3	Confident	89 Å²	89	102.5 Å²	102.5	55%	0.546	57%	0.569	S	S	.	*			trans	-64	109.7	160.4	-32.1	0	0	0	0	105.9	A7 Y11	A7-T9 VanDerWaalsContact C-N 3.26Å; A7-T9 PolarHBondContact O-N 2.94Å; T9-Y11 WeakPolarHBondContact O-CD2 3.39Å; T9-Y11 VanDerWaalsContact O-CE2 3.24Å; T9-Y11 WeakPolarHBondContact O-CE2 3.29Å; T9-Y11 PolarHBondContact O-N 2.92Å
10	S	78.3	Confident	71.6	Confident	107 Å²	107	100.7 Å²	100.7	75%	0.748	56%	0.561	S	S	*	*			trans	-67.3	98.9	-177	60.1	0	0	0	0	110	D8	D8-S10 PolarHBondContact O-N 3.18Å; D8-S10 VanDerWaalsContact O-N 3.13Å
11	Y	81.4	Confident	72.7	Confident	86 Å²	86	98.1 Å²	98.1	34%	0.337	55%	0.549	S	S	.	.			trans	-77.7	138.4	171	-62.6	-84.1	0	0	0	110	T9 D15 F16 L75 I78	T9-Y11 WeakPolarHBondContact O-CD2 3.39Å; T9-Y11 VanDerWaalsContact O-CE2 3.24Å; T9-Y11 WeakPolarHBondContact O-CE2 3.29Å; T9-Y11 PolarHBondContact O-N 2.92Å; Y11-D15 HydrophobicContact CD1-CB 4.33Å; Y11-F16 HydrophobicContact CG-CZ 4.31Å; Y11-L75 HydrophobicContact CD1-CD1 4.18Å; Y11-L75 HydrophobicContact CE1-CD1 4.01Å; Y11-I78 HydrophobicContact CD2-CD1 3.92Å; Y11-I78 HydrophobicContact CD2-CG2 4.06Å; Y11-I78 HydrophobicContact CE1-CD1 3.95Å; Y11-I78 HydrophobicContact CE2-CD1 3.18Å; Y11-I78 HydrophobicContact CE2-CG1 4.12Å; Y11-I78 HydrophobicContact CE2-CG2 4.43Å; Y11-I78 HydrophobicContact CG-CG2 4.43Å; Y11-I78 VanDerWaalsContact OH-CD1 3.25Å; Y11-I78 WeakPolarHBondContact OH-CD1 3.08Å
12	T	87.9	Confident	75.2	Confident	76 Å²	76	93.9 Å²	93.9	47%	0.466	53%	0.527	S	S	.	.			trans	-91.7	162.1	169.7	65.1	0	0	0	0	110.4	D14 D15 F16	T12-D14 PolarHBondContact O-N 2.93Å; T12-D15 PolarHBondContact N-OD2 3.01Å; T12-D15 PolarHBondContact O-N 3.02Å; T12-D15 PolarHBondContact OG1-OD2 2.9Å; T12-F16 WeakPolarHBondContact O-CD2 3.37Å; T12-F16 WeakPolarHBondContact O-CE2 3.39Å
13	E	86.1	Confident	77.4	Confident	87 Å²	87	90.8 Å²	90.8	41%	0.407	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-59.6	-28.5	175.7	-70	-169.2	143.7	0	0	111.7	D15 F16 Y17 G84 S85 K92 F95	E13-D15 PolarHBondContact O-N 2.94Å; E13-F16 PolarHBondContact O-N 2.88Å; E13-Y17 WeakPolarHBondContact O-CD2 3.44Å; E13-Y17 WeakPolarHBondContact O-CE2 3.38Å; E13-G84 WeakPolarHBondContact OE1-CA 3.34Å; E13-S85 PolarHBondContact OE1-N 3.48Å; E13-K92 IonicContact OE1-NZ 3.78Å; E13-F95 HydrophobicContact CB-CZ 4.14Å; E13-F95 HydrophobicContact CG-CZ 4.16Å
14	D	89.5	Confident	79.6	Confident	123 Å²	123	82 Å²	82	66%	0.658	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-69	-29.2	-178.7	-68.4	-35.8	0	0	0	113.5	T12 F16 Y17	T12-D14 PolarHBondContact O-N 2.93Å; D14-F16 PolarHBondContact O-N 3.28Å; D14-Y17 PolarHBondContact O-N 3.45Å
15	D	93.6	Very high	82.1	Confident	75 Å²	75	74.1 Å²	74.1	40%	0.401	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-63.1	-16.9	178.6	-64.9	-48.3	0	0	0	112.9	Y11 T12 E13	Y11-D15 HydrophobicContact CD1-CB 4.33Å; T12-D15 PolarHBondContact N-OD2 3.01Å; T12-D15 PolarHBondContact O-N 3.02Å; T12-D15 PolarHBondContact OG1-OD2 2.9Å; E13-D15 PolarHBondContact O-N 2.94Å
16	F	96.3	Very high	84.6	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.009	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-92.5	5.7	178.8	-56	-65	0	0	0	113.7	Y11 T12 E13 D14 V24 L25 L75 I78 M79 V82 F95	Y11-F16 HydrophobicContact CG-CZ 4.31Å; T12-F16 WeakPolarHBondContact O-CD2 3.37Å; T12-F16 WeakPolarHBondContact O-CE2 3.39Å; E13-F16 PolarHBondContact O-N 2.88Å; D14-F16 PolarHBondContact O-N 3.28Å; F16-V24 CarbonylContact O-C 3.55Å; F16-V24 VanDerWaalsContact O-CA 3.24Å; F16-V24 WeakPolarHBondContact O-CA 3.25Å; F16-L25 PolarHBondContact O-N 3.22Å; F16-L75 HydrophobicContact CD1-CD1 4.14Å; F16-L75 HydrophobicContact CE1-CD1 3.85Å; F16-I78 HydrophobicContact CE1-CB 4.32Å; F16-I78 HydrophobicContact CE1-CG2 3.69Å; F16-I78 HydrophobicContact CZ-CG2 3.56Å; F16-M79 HydrophobicContact CD1-CG 3.35Å; F16-M79 HydrophobicContact CD1-SD 4.28Å; F16-M79 HydrophobicContact CE1-CG 3.78Å; F16-M79 HydrophobicContact CG-CG 4.32Å; F16-V82 HydrophobicContact CE2-CG1 4.18Å; F16-V82 HydrophobicContact CZ-CB 4.41Å; F16-V82 HydrophobicContact CZ-CG1 4.42Å; F16-F95 HydrophobicContact CB-CD1 3.58Å; F16-F95 HydrophobicContact CB-CD2 4.35Å; F16-F95 HydrophobicContact CB-CE1 3.67Å; F16-F95 HydrophobicContact CB-CE2 4.43Å; F16-F95 HydrophobicContact CB-CG 3.94Å; F16-F95 HydrophobicContact CB-CZ 4.1Å; F16-F95 HydrophobicContact CD2-CD1 4.27Å; F16-F95 AromaticContact CD2-CD2 3.64Å; F16-F95 HydrophobicContact CD2-CD2 3.64Å; F16-F95 AromaticContact CD2-CE1 3.99Å; F16-F95 HydrophobicContact CD2-CE1 3.99Å; F16-F95 AromaticContact CD2-CE2 3.31Å; F16-F95 HydrophobicContact CD2-CE2 3.31Å; F16-F95 HydrophobicContact CD2-CG 4.11Å; F16-F95 AromaticContact CD2-CZ 3.51Å; F16-F95 HydrophobicContact CD2-CZ 3.51Å; F16-F95 HydrophobicContact CE2-CD2 4.04Å; F16-F95 AromaticContact CE2-CE2 3.74Å; F16-F95 HydrophobicContact CE2-CE2 3.74Å; F16-F95 HydrophobicContact CE2-CZ 4.32Å; F16-F95 HydrophobicContact CG-CD1 4.05Å; F16-F95 AromaticContact CG-CD2 3.9Å; F16-F95 HydrophobicContact CG-CD2 3.9Å; F16-F95 HydrophobicContact CG-CE1 4.14Å; F16-F95 AromaticContact CG-CE2 4Å; F16-F95 HydrophobicContact CG-CE2 4Å; F16-F95 AromaticContact CG-CG 3.93Å; F16-F95 HydrophobicContact CG-CG 3.93Å; F16-F95 HydrophobicContact CG-CZ 4.11Å
17	Y	96.8	Very high	87	Confident	27 Å²	27	69.1 Å²	69.1	11%	0.106	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-109	139.3	-179.9	-68.3	-89.5	0	0	0	112.3	E13 D14 P19 V24 F95	E13-Y17 WeakPolarHBondContact O-CD2 3.44Å; E13-Y17 WeakPolarHBondContact O-CE2 3.38Å; D14-Y17 PolarHBondContact O-N 3.45Å; Y17-P19 VanDerWaalsContact O-CD 3.31Å; Y17-P19 WeakPolarHBondContact O-CD 3.18Å; Y17-V24 HydrophobicContact CD1-CG2 3.91Å; Y17-V24 HydrophobicContact CE1-CB 4.4Å; Y17-V24 HydrophobicContact CE1-CG2 3.35Å; Y17-F95 HydrophobicContact CE2-CE1 4.02Å
18	C	97.7	Very high	89.4	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	35%	0.352	C	S	.	.			trans	-77.3	122	178.8	-176.5	0	0	0	0	110.2	V20 C21 Q22 E23 L25 C39	C18-V20 PolarHBondContact O-N 3.15Å; C18-V20 VanDerWaalsContact O-N 3.12Å; C18-C21 VanDerWaalsContact CB-SG 3.51Å; C18-C21 PolarHBondContact O-N 2.87Å; C18-Q22 WeakPolarHBondContact O-CA 3.38Å; C18-Q22 PolarHBondContact O-N 3.27Å; C18-E23 WeakPolarHBondContact CB-O 3.46Å; C18-E23 PolarHBondContact N-O 3.13Å; C18-L25 HydrophobicContact CB-CD2 3.79Å; C18-C39 WeakPolarHBondContact CB-SG 3.42Å; C18-C39 PolarHBondContact SG-N 3.39Å
19	P	96.5	Very high	91.6	Very high	62 Å²	62	58.2 Å²	58.2	40%	0.403	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.2	-177.6	-29	42.6	0	0	0	114.7	Y17 V37 L56	Y17-P19 VanDerWaalsContact O-CD 3.31Å; Y17-P19 WeakPolarHBondContact O-CD 3.18Å; P19-V37 WeakPolarHBondContact CD-O 3.15Å; P19-L56 HydrophobicContact CB-CD1 3.85Å; P19-L56 HydrophobicContact CB-CD2 3.25Å; P19-L56 HydrophobicContact CB-CG 3.9Å; P19-L56 HydrophobicContact CG-CD1 3.62Å; P19-L56 HydrophobicContact CG-CD2 3.92Å; P19-L56 HydrophobicContact CG-CG 4.25Å
20	V	96.4	Very high	93.3	Very high	66 Å²	66	56.6 Å²	56.6	40%	0.4	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-46.3	178.2	174.8	0	0	0	0	112.2	C18 F38 C42 P55	C18-V20 PolarHBondContact O-N 3.15Å; C18-V20 VanDerWaalsContact O-N 3.12Å; V20-F38 HydrophobicContact CG2-CD1 3.63Å; V20-F38 HydrophobicContact CG2-CE1 3.84Å; V20-C42 HydrophobicContact CB-CB 3.77Å; V20-C42 HydrophobicContact CG1-CB 3.75Å; V20-C42 HydrophobicContact CG2-CB 4.28Å; V20-P55 HydrophobicContact CG2-CB 3.88Å; V20-P55 HydrophobicContact CG2-CG 4.45Å
21	C	95.8	Very high	94.2	Very high	48 Å²	48	51.6 Å²	51.6	32%	0.324	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-2.9	-176.3	68.5	0	0	0	0	113.9	C18 E23	C18-C21 VanDerWaalsContact CB-SG 3.51Å; C18-C21 PolarHBondContact O-N 2.87Å; C21-E23 PolarHBondContact O-N 3.44Å
22	Q	94.5	Very high	94.7	Very high	141 Å²	141	49.6 Å²	49.6	66%	0.659	27%	0.265	S	S	*	.			trans	58.6	12.9	179.5	-53.8	179.4	21.3	0	0	115.4	C18 R87	C18-Q22 WeakPolarHBondContact O-CA 3.38Å; C18-Q22 PolarHBondContact O-N 3.27Å; Q22-R87 PolarHBondContact O-NH1 3.41Å
23	E	94.6	Very high	95	Very high	52 Å²	52	49.5 Å²	49.5	24%	0.243	27%	0.272	C	S	.	.	S	Bend	trans	-99.7	155.1	176.8	-68.9	-70	174.2	0	0	110.8	C18 C21 L25 Y102 Y108	C18-E23 WeakPolarHBondContact CB-O 3.46Å; C18-E23 PolarHBondContact N-O 3.13Å; C21-E23 PolarHBondContact O-N 3.44Å; E23-L25 PolarHBondContact O-N 2.88Å; E23-Y102 WeakPolarHBondContact OE2-CD2 3.36Å; E23-Y102 VanDerWaalsContact OE2-CE2 3.23Å; E23-Y102 WeakPolarHBondContact OE2-CE2 3.47Å; E23-Y108 PolarHBondContact OE1-OH 3.31Å; E23-Y108 PolarHBondContact OE2-OH 2.76Å; E23-Y108 VanDerWaalsContact OE2-OH 3.05Å
24	V	96.2	Very high	95.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-49.9	136.1	174.6	173.6	0	0	0	0	110.2	F16 Y17 K26 M79 F95 M98 R99 Y102	F16-V24 CarbonylContact O-C 3.55Å; F16-V24 VanDerWaalsContact O-CA 3.24Å; F16-V24 WeakPolarHBondContact O-CA 3.25Å; Y17-V24 HydrophobicContact CD1-CG2 3.91Å; Y17-V24 HydrophobicContact CE1-CB 4.4Å; Y17-V24 HydrophobicContact CE1-CG2 3.35Å; V24-K26 PolarHBondContact O-N 2.91Å; V24-M79 HydrophobicContact CG1-CE 3.46Å; V24-M79 VanDerWaalsContact CG1-CE 3.46Å; V24-F95 HydrophobicContact CG1-CB 4.36Å; V24-F95 HydrophobicContact CG1-CD1 3.94Å; V24-F95 HydrophobicContact CG2-CD1 4.1Å; V24-F95 HydrophobicContact CG2-CE1 4.43Å; V24-M98 HydrophobicContact CB-CB 4.39Å; V24-M98 HydrophobicContact CG1-CB 4.32Å; V24-M98 HydrophobicContact CG2-CB 3.9Å; V24-M98 HydrophobicContact CG2-CG 3.73Å; V24-R99 HydrophobicContact CB-CG 4.38Å; V24-R99 PolarHBondContact O-NE 2.75Å; V24-R99 PolarHBondContact O-NH2 2.97Å; V24-Y102 HydrophobicContact CG2-CE2 4.41Å
25	L	97.5	Very high	95.7	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.052	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-54.1	137.8	-174.6	-71.4	162.7	0	0	0	112.7	F16 C18 E23 P28 V37 F38 L75 M79	F16-L25 PolarHBondContact O-N 3.22Å; C18-L25 HydrophobicContact CB-CD2 3.79Å; E23-L25 PolarHBondContact O-N 2.88Å; L25-P28 HydrophobicContact CB-CB 4.16Å; L25-P28 HydrophobicContact CD1-CB 4.23Å; L25-P28 HydrophobicContact CD2-CB 4.43Å; L25-V37 HydrophobicContact CD1-CG1 3.78Å; L25-V37 HydrophobicContact CD2-CG1 4.08Å; L25-F38 VanDerWaalsContact CD2-C 3.45Å; L25-L75 HydrophobicContact CD1-CD2 3.45Å; L25-L75 VanDerWaalsContact CD1-CD2 3.45Å; L25-M79 HydrophobicContact CB-CE 4.04Å; L25-M79 HydrophobicContact CB-SD 4.16Å; L25-M79 WeakPolarHBondContact O-CE 3.35Å
26	K	95.3	Very high	95.9	Very high	111 Å²	111	45.8 Å²	45.8	48%	0.483	25%	0.252	S	S	.	.	S	Bend	trans	-124.3	122.5	171.7	178.6	171.9	-177.1	171.8	0	108.7	V24 C39	V24-K26 PolarHBondContact O-N 2.91Å; K26-C39 PolarHBondContact N-SG 3.35Å; K26-C39 WeakPolarHBondContact O-CA 3.24Å; K26-C39 WeakPolarHBondContact O-CB 2.99Å
27	T	94.8	Very high	95.9	Very high	53 Å²	53	46.9 Å²	46.9	33%	0.325	26%	0.259	S	S	.	.	S	Bend	trans	46.9	66.2	-172.9	53.5	0	0	0	0	109.7	R40	T27-R40 WeakPolarHBondContact O-CB 3.47Å; T27-R40 PolarHBondContact O-N 2.91Å; T27-R40 WeakPolarHBondContact OG1-CB 3.49Å
28	P	96.8	Very high	96	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.019	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.5	-173.5	28.1	-35.7	0	0	0	111	L25 V37 F38 A72 L75 E76	L25-P28 HydrophobicContact CB-CB 4.16Å; L25-P28 HydrophobicContact CD1-CB 4.23Å; L25-P28 HydrophobicContact CD2-CB 4.43Å; P28-V37 HydrophobicContact CB-CG1 3.66Å; P28-F38 CarbonylContact C-O 3.43Å; P28-F38 VanDerWaalsContact CA-O 3.23Å; P28-F38 WeakPolarHBondContact CA-O 3.28Å; P28-A72 HydrophobicContact CB-CB 4.06Å; P28-A72 HydrophobicContact CG-CB 4.24Å; P28-A72 PolarHBondContact O-N 3.38Å; P28-L75 HydrophobicContact CB-CD2 4.37Å; P28-E76 VanDerWaalsContact CD-CG 3.47Å; P28-E76 HydrophobicContact CG-CG 3.37Å
29	V	97.1	Very high	96	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.1	174.9	-62.4	0	0	0	0	109	V37 F38 R40 F43 P69 E70	V29-V37 VanDerWaalsContact O-CA 3.32Å; V29-V37 WeakPolarHBondContact O-CA 3.33Å; V29-F38 HydrophobicContact CG2-CB 4.34Å; V29-F38 PolarHBondContact N-O 3.2Å; V29-F38 PolarHBondContact O-N 3.22Å; V29-R40 HydrophobicContact CG1-CB 3.78Å; V29-R40 HydrophobicContact CG1-CG 3.98Å; V29-F43 HydrophobicContact CG2-CB 3.63Å; V29-F43 HydrophobicContact CG2-CD1 4.13Å; V29-F43 HydrophobicContact CG2-CG 3.85Å; V29-P69 HydrophobicContact CB-CB 3.9Å; V29-P69 HydrophobicContact CG1-CB 3.86Å; V29-P69 HydrophobicContact CG2-CB 4.23Å; V29-E70 CarbonylContact C-O 3.54Å; V29-E70 WeakPolarHBondContact CA-O 3.42Å; V29-E70 WeakPolarHBondContact CB-O 3.35Å
30	R	96.7	Very high	96	Very high	56 Å²	56	48.2 Å²	48.2	21%	0.211	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.4	-177.9	-165.6	170.3	-66.8	161	1.3	109.8	Q35 H36 V37 E70 A72 D74	R30-Q35 HydrophobicContact CG-CB 4.44Å; R30-Q35 WeakPolarHBondContact CG-O 3.39Å; R30-H36 WeakPolarHBondContact CA-O 3.46Å; R30-V37 HydrophobicContact CB-CG2 4.22Å; R30-V37 HydrophobicContact CG-CG2 3.94Å; R30-E70 PolarHBondContact N-O 3.47Å; R30-A72 HydrophobicContact CB-CB 4.2Å; R30-D74 IonicContact CZ-OD1 3.8Å; R30-D74 IonicContact CZ-OD2 3.32Å; R30-D74 IonicContact NH1-OD1 3.81Å; R30-D74 IonicContact NH1-OD2 3.01Å; R30-D74 PolarHBondContact NH1-OD2 3.3Å; R30-D74 IonicContact NH2-OD1 3.35Å; R30-D74 PolarHBondContact NH2-OD1 3.21Å; R30-D74 IonicContact NH2-OD2 2.75Å; R30-D74 PolarHBondContact NH2-OD2 3.15Å
31	T	95.7	Very high	96	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.269	C	S	.	.			trans	-74.3	136.5	171.5	49.8	0	0	0	0	109.9	C34 Q35 H36 F38 F43 V61	T31-C34 PolarHBondContact OG1-SG 3.26Å; T31-Q35 WeakPolarHBondContact O-CA 3.36Å; T31-Q35 PolarHBondContact O-N 3.34Å; T31-Q35 PolarHBondContact O-NE2 3.23Å; T31-Q35 PolarHBondContact OG1-N 3.13Å; T31-H36 PolarHBondContact N-O 2.91Å; T31-H36 PolarHBondContact OG1-N 3.27Å; T31-H36 PolarHBondContact OG1-O 3.38Å; T31-H36 VanDerWaalsContact OG1-O 3.13Å; T31-F38 HydrophobicContact CG2-CD2 4.48Å; T31-F38 HydrophobicContact CG2-CE2 4.07Å; T31-F43 HydrophobicContact CG2-CD2 4.41Å; T31-F43 HydrophobicContact CG2-CE2 3.66Å; T31-F43 HydrophobicContact CG2-CZ 4.37Å; T31-V61 HydrophobicContact CG2-CG2 4.32Å
32	A	93.7	Very high	96.1	Very high	45 Å²	45	51.2 Å²	51.2	37%	0.372	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-43.7	-173.9	0	0	0	0	0	112	Q35 E65	A32-Q35 PolarHBondContact O-NE2 2.98Å; A32-E65 HydrophobicContact CB-CG 4.3Å; A32-E65 WeakPolarHBondContact CB-OE1 3.28Å; A32-E65 PolarHBondContact N-OE1 3.27Å
33	A	93.4	Very high	96.1	Very high	74 Å²	74	44.7 Å²	44.7	61%	0.612	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-43.2	-174.1	0	0	0	0	0	113.7
34	C	95.3	Very high	96.1	Very high	38 Å²	38	44.4 Å²	44.4	26%	0.257	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	1	-173.9	60	0	0	0	0	114.3	T31 H36 C57	T31-C34 PolarHBondContact OG1-SG 3.26Å; C34-H36 PolarHBondContact O-N 3.36Å; C34-H36 PolarHBondContact SG-ND1 3.12Å; C34-C57 PolarHBondContact SG-SG 3.01Å
35	Q	95.5	Very high	96.1	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.491	25%	0.249	S	C	.	.			trans	57.6	14.1	173.7	-60.4	-67.8	-52.3	0	0	115.4	R30 T31 A32	R30-Q35 HydrophobicContact CG-CB 4.44Å; R30-Q35 WeakPolarHBondContact CG-O 3.39Å; T31-Q35 WeakPolarHBondContact O-CA 3.36Å; T31-Q35 PolarHBondContact O-N 3.34Å; T31-Q35 PolarHBondContact O-NE2 3.23Å; T31-Q35 PolarHBondContact OG1-N 3.13Å; A32-Q35 PolarHBondContact O-NE2 2.98Å
36	H	96.9	Very high	96	Very high	63 Å²	63	47.6 Å²	47.6	29%	0.292	25%	0.251	S	S	.	.			trans	-69.7	142.6	173.3	-75.4	118.3	0	0	0	111.9	R30 T31 C34 F38 L56 C57	R30-H36 WeakPolarHBondContact CA-O 3.46Å; T31-H36 PolarHBondContact N-O 2.91Å; T31-H36 PolarHBondContact OG1-N 3.27Å; T31-H36 PolarHBondContact OG1-O 3.38Å; T31-H36 VanDerWaalsContact OG1-O 3.13Å; C34-H36 PolarHBondContact O-N 3.36Å; C34-H36 PolarHBondContact SG-ND1 3.12Å; H36-F38 HydrophobicContact CB-CE2 3.74Å; H36-F38 HydrophobicContact CB-CZ 4Å; H36-L56 HydrophobicContact CB-CD1 3.85Å; H36-C57 VanDerWaalsContact CE1-SG 3.57Å; H36-C57 PolarHBondContact ND1-SG 3.02Å
37	V	97.6	Very high	95.9	Very high	26 Å²	26	42.3 Å²	42.3	16%	0.158	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.3	-174.3	-174.6	0	0	0	0	112.2	P19 L25 P28 V29 R30 A72 L75	P19-V37 WeakPolarHBondContact CD-O 3.15Å; L25-V37 HydrophobicContact CD1-CG1 3.78Å; L25-V37 HydrophobicContact CD2-CG1 4.08Å; P28-V37 HydrophobicContact CB-CG1 3.66Å; V29-V37 VanDerWaalsContact O-CA 3.32Å; V29-V37 WeakPolarHBondContact O-CA 3.33Å; R30-V37 HydrophobicContact CB-CG2 4.22Å; R30-V37 HydrophobicContact CG-CG2 3.94Å; V37-A72 HydrophobicContact CG1-CB 4.31Å; V37-L75 HydrophobicContact CB-CD2 4.39Å; V37-L75 HydrophobicContact CG1-CD2 3.74Å; V37-L75 HydrophobicContact CG2-CD2 4.37Å
38	F	97.9	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.8	-178.4	-57.4	-80.4	0	0	0	111.3	V20 L25 P28 V29 T31 H36 F43 P55 L56	V20-F38 HydrophobicContact CG2-CD1 3.63Å; V20-F38 HydrophobicContact CG2-CE1 3.84Å; L25-F38 VanDerWaalsContact CD2-C 3.45Å; P28-F38 CarbonylContact C-O 3.43Å; P28-F38 VanDerWaalsContact CA-O 3.23Å; P28-F38 WeakPolarHBondContact CA-O 3.28Å; V29-F38 HydrophobicContact CG2-CB 4.34Å; V29-F38 PolarHBondContact N-O 3.2Å; V29-F38 PolarHBondContact O-N 3.22Å; T31-F38 HydrophobicContact CG2-CD2 4.48Å; T31-F38 HydrophobicContact CG2-CE2 4.07Å; H36-F38 HydrophobicContact CB-CE2 3.74Å; H36-F38 HydrophobicContact CB-CZ 4Å; F38-F43 HydrophobicContact CB-CB 3.98Å; F38-F43 AromaticContact CD2-CD2 3.86Å; F38-F43 HydrophobicContact CD2-CD2 3.86Å; F38-F43 HydrophobicContact CE2-CD2 4.39Å; F38-F43 HydrophobicContact CG-CB 4.5Å; F38-F43 HydrophobicContact CG-CD2 4.47Å; F38-P55 HydrophobicContact CE1-CB 3.78Å; F38-P55 HydrophobicContact CE1-CG 4.02Å; F38-P55 HydrophobicContact CE2-CG 4.37Å; F38-P55 HydrophobicContact CZ-CB 3.95Å; F38-P55 HydrophobicContact CZ-CG 3.95Å; F38-L56 HydrophobicContact CD1-CD1 4.48Å; F38-L56 HydrophobicContact CE1-CB 4.43Å; F38-L56 HydrophobicContact CE1-CD1 3.46Å; F38-L56 VanDerWaalsContact CE1-CD1 3.46Å; F38-L56 HydrophobicContact CE1-CG 3.53Å; F38-L56 HydrophobicContact CE2-CD1 4.33Å; F38-L56 HydrophobicContact CZ-CB 3.98Å; F38-L56 HydrophobicContact CZ-CD1 3.35Å; F38-L56 HydrophobicContact CZ-CG 3.51Å
39	C	97.8	Very high	95.4	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	139.1	160.3	-58.8	0	0	0	0	109.8	C18 K26 K41 C42 F43 R99	C18-C39 WeakPolarHBondContact CB-SG 3.42Å; C18-C39 PolarHBondContact SG-N 3.39Å; K26-C39 PolarHBondContact N-SG 3.35Å; K26-C39 WeakPolarHBondContact O-CA 3.24Å; K26-C39 WeakPolarHBondContact O-CB 2.99Å; C39-K41 PolarHBondContact O-N 3.11Å; C39-K41 VanDerWaalsContact O-N 3.14Å; C39-C42 HydrophobicContact CB-CB 4.02Å; C39-C42 WeakPolarHBondContact O-CB 3.06Å; C39-C42 PolarHBondContact O-N 3.06Å; C39-F43 PolarHBondContact O-N 3.33Å; C39-R99 PolarHBondContact SG-NH2 3.32Å
40	R	96.5	Very high	94.8	Very high	114 Å²	114	59.2 Å²	59.2	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-48	-45.5	175.4	-172.1	174.5	-171.2	-82.5	-1.6	113.2	T27 V29 L44	T27-R40 WeakPolarHBondContact O-CB 3.47Å; T27-R40 PolarHBondContact O-N 2.91Å; T27-R40 WeakPolarHBondContact OG1-CB 3.49Å; V29-R40 HydrophobicContact CG1-CB 3.78Å; V29-R40 HydrophobicContact CG1-CG 3.98Å; R40-L44 HydrophobicContact CG-CD1 3.96Å; R40-L44 HydrophobicContact CG-CG 4.48Å; R40-L44 WeakPolarHBondContact O-CB 3.41Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.27Å; R40-L44 PolarHBondContact O-N 3.09Å
41	K	96.2	Very high	94.2	Very high	157 Å²	157	57.8 Å²	57.8	68%	0.683	31%	0.305	S	S	*	.	H	α-helix	trans	-62.1	-48.5	177.8	-69.1	-168.3	177.1	-166.1	0	111.9	C39 F43 L44 T45	C39-K41 PolarHBondContact O-N 3.11Å; C39-K41 VanDerWaalsContact O-N 3.14Å; K41-F43 PolarHBondContact O-N 2.89Å; K41-L44 PolarHBondContact O-N 2.99Å; K41-T45 WeakPolarHBondContact O-CB 3.46Å; K41-T45 PolarHBondContact O-N 2.83Å; K41-T45 PolarHBondContact O-OG1 2.91Å; K41-T45 VanDerWaalsContact O-OG1 3.06Å
42	C	97.2	Very high	93.9	Very high	20 Å²	20	61.9 Å²	61.9	14%	0.135	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-44.5	-179.9	-65	0	0	0	0	112	V20 C39 A46	V20-C42 HydrophobicContact CB-CB 3.77Å; V20-C42 HydrophobicContact CG1-CB 3.75Å; V20-C42 HydrophobicContact CG2-CB 4.28Å; C39-C42 HydrophobicContact CB-CB 4.02Å; C39-C42 WeakPolarHBondContact O-CB 3.06Å; C39-C42 PolarHBondContact O-N 3.06Å; C42-A46 WeakPolarHBondContact O-CB 3.42Å; C42-A46 PolarHBondContact O-N 3.08Å
43	F	96.3	Very high	94	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-51.8	176	-179.7	-102.8	0	0	0	111.6	V29 T31 F38 C39 K41 T45 A46 M47 V61 P69	V29-F43 HydrophobicContact CG2-CB 3.63Å; V29-F43 HydrophobicContact CG2-CD1 4.13Å; V29-F43 HydrophobicContact CG2-CG 3.85Å; T31-F43 HydrophobicContact CG2-CD2 4.41Å; T31-F43 HydrophobicContact CG2-CE2 3.66Å; T31-F43 HydrophobicContact CG2-CZ 4.37Å; F38-F43 HydrophobicContact CB-CB 3.98Å; F38-F43 AromaticContact CD2-CD2 3.86Å; F38-F43 HydrophobicContact CD2-CD2 3.86Å; F38-F43 HydrophobicContact CE2-CD2 4.39Å; F38-F43 HydrophobicContact CG-CB 4.5Å; F38-F43 HydrophobicContact CG-CD2 4.47Å; C39-F43 PolarHBondContact O-N 3.33Å; K41-F43 PolarHBondContact O-N 2.89Å; F43-T45 VanDerWaalsContact C-N 3.34Å; F43-T45 PolarHBondContact O-N 3.12Å; F43-A46 PolarHBondContact O-N 3.08Å; F43-M47 HydrophobicContact CD1-CG 4.09Å; F43-M47 HydrophobicContact CD2-CE 4.34Å; F43-M47 HydrophobicContact CD2-CG 4.47Å; F43-M47 HydrophobicContact CE1-CG 3.77Å; F43-M47 HydrophobicContact CE1-SD 4.43Å; F43-M47 HydrophobicContact CE2-CE 3.97Å; F43-M47 HydrophobicContact CE2-CG 4.16Å; F43-M47 HydrophobicContact CE2-SD 4.05Å; F43-M47 HydrophobicContact CG-CG 4.45Å; F43-M47 HydrophobicContact CZ-CE 4.43Å; F43-M47 HydrophobicContact CZ-CG 3.83Å; F43-M47 HydrophobicContact CZ-SD 3.9Å; F43-M47 VanDerWaalsContact O-CG 3.3Å; F43-M47 WeakPolarHBondContact O-CG 3.3Å; F43-M47 PolarHBondContact O-N 2.8Å; F43-V61 HydrophobicContact CE2-CG1 4.41Å; F43-V61 HydrophobicContact CE2-CG2 4.49Å; F43-V61 HydrophobicContact CZ-CG1 3.78Å; F43-P69 HydrophobicContact CD1-CB 3.9Å; F43-P69 HydrophobicContact CD1-CG 3.74Å; F43-P69 HydrophobicContact CE1-CB 3.82Å; F43-P69 HydrophobicContact CE1-CG 3.74Å
44	L	94.7	Very high	94.1	Very high	46 Å²	46	60.7 Å²	60.7	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-35.8	-178.5	-70.3	175.3	0	0	0	113.3	R40 K41 R48 R66 P69	R40-L44 HydrophobicContact CG-CD1 3.96Å; R40-L44 HydrophobicContact CG-CG 4.48Å; R40-L44 WeakPolarHBondContact O-CB 3.41Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.27Å; R40-L44 PolarHBondContact O-N 3.09Å; K41-L44 PolarHBondContact O-N 2.99Å; L44-R48 PolarHBondContact O-N 3.48Å; L44-R66 WeakPolarHBondContact CD2-O 3.38Å; L44-P69 HydrophobicContact CD2-CG 3.73Å; L44-P69 HydrophobicContact CG-CG 4.31Å
45	T	95.3	Very high	94.1	Very high	66 Å²	66	61 Å²	61	41%	0.405	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-49.5	172.7	-64	0	0	0	0	110.2	K41 F43 M47 R48 E49	K41-T45 WeakPolarHBondContact O-CB 3.46Å; K41-T45 PolarHBondContact O-N 2.83Å; K41-T45 PolarHBondContact O-OG1 2.91Å; K41-T45 VanDerWaalsContact O-OG1 3.06Å; F43-T45 VanDerWaalsContact C-N 3.34Å; F43-T45 PolarHBondContact O-N 3.12Å; T45-M47 PolarHBondContact O-N 2.97Å; T45-R48 WeakPolarHBondContact O-CA 3.42Å; T45-R48 VanDerWaalsContact O-CB 3.3Å; T45-R48 WeakPolarHBondContact O-CB 3.24Å; T45-R48 PolarHBondContact O-N 3.24Å; T45-E49 VanDerWaalsContact CG2-OE1 3.29Å; T45-E49 WeakPolarHBondContact CG2-OE1 3.23Å; T45-E49 PolarHBondContact O-N 3.28Å; T45-E49 VanDerWaalsContact O-N 3.1Å
46	A	94.6	Very high	94	Very high	13 Å²	13	59.6 Å²	59.6	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-44	177.9	0	0	0	0	0	111.9	C42 F43 R48 E49 S50 P55	C42-A46 WeakPolarHBondContact O-CB 3.42Å; C42-A46 PolarHBondContact O-N 3.08Å; F43-A46 PolarHBondContact O-N 3.08Å; A46-R48 PolarHBondContact O-N 3.39Å; A46-R48 VanDerWaalsContact O-N 3.14Å; A46-E49 PolarHBondContact O-N 3.15Å; A46-S50 PolarHBondContact O-N 3.2Å; A46-S50 PolarHBondContact O-OG 3.4Å; A46-P55 HydrophobicContact CB-CB 4.16Å; A46-P55 HydrophobicContact CB-CG 3.52Å
47	M	93	Very high	94	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-25.4	175.8	-67.4	-55.6	94.6	0	0	113.7	F43 T45 G51 H53 P55 V61 R66	F43-M47 HydrophobicContact CD1-CG 4.09Å; F43-M47 HydrophobicContact CD2-CE 4.34Å; F43-M47 HydrophobicContact CD2-CG 4.47Å; F43-M47 HydrophobicContact CE1-CG 3.77Å; F43-M47 HydrophobicContact CE1-SD 4.43Å; F43-M47 HydrophobicContact CE2-CE 3.97Å; F43-M47 HydrophobicContact CE2-CG 4.16Å; F43-M47 HydrophobicContact CE2-SD 4.05Å; F43-M47 HydrophobicContact CG-CG 4.45Å; F43-M47 HydrophobicContact CZ-CE 4.43Å; F43-M47 HydrophobicContact CZ-CG 3.83Å; F43-M47 HydrophobicContact CZ-SD 3.9Å; F43-M47 VanDerWaalsContact O-CG 3.3Å; F43-M47 WeakPolarHBondContact O-CG 3.3Å; F43-M47 PolarHBondContact O-N 2.8Å; T45-M47 PolarHBondContact O-N 2.97Å; M47-G51 WeakPolarHBondContact CA-O 3.13Å; M47-G51 VanDerWaalsContact SD-O 3.42Å; M47-H53 WeakPolarHBondContact CE-O 3.44Å; M47-P55 HydrophobicContact CE-CG 4.1Å; M47-V61 HydrophobicContact CE-CG2 4.48Å; M47-V61 HydrophobicContact SD-CB 4.04Å; M47-V61 HydrophobicContact SD-CG1 3.77Å; M47-V61 HydrophobicContact SD-CG2 4.24Å; M47-R66 HydrophobicContact CB-CG 3.82Å; M47-R66 HydrophobicContact CG-CB 4.38Å; M47-R66 HydrophobicContact CG-CG 4.14Å; M47-R66 PolarHBondContact O-NE 2.94Å; M47-R66 PolarHBondContact O-NH2 3.28Å
48	R	91.3	Very high	93.9	Very high	194 Å²	194	68.1 Å²	68.1	73%	0.732	33%	0.332	S	S	*	.	H	α-helix	trans	-77.6	-37.9	175.9	-173.3	-173.7	-56.9	-126.9	-3.1	111.6	L44 T45 A46	L44-R48 PolarHBondContact O-N 3.48Å; T45-R48 WeakPolarHBondContact O-CA 3.42Å; T45-R48 VanDerWaalsContact O-CB 3.3Å; T45-R48 WeakPolarHBondContact O-CB 3.24Å; T45-R48 PolarHBondContact O-N 3.24Å; A46-R48 PolarHBondContact O-N 3.39Å; A46-R48 VanDerWaalsContact O-N 3.14Å
49	E	91.1	Very high	93.6	Very high	152 Å²	152	69.4 Å²	69.4	71%	0.71	35%	0.346	S	S	*	.	H	α-helix	trans	-89.2	-44.4	-172.9	-68.4	170.4	-177.3	0	0	113	T45 A46	T45-E49 VanDerWaalsContact CG2-OE1 3.29Å; T45-E49 WeakPolarHBondContact CG2-OE1 3.23Å; T45-E49 PolarHBondContact O-N 3.28Å; T45-E49 VanDerWaalsContact O-N 3.1Å; A46-E49 PolarHBondContact O-N 3.15Å
50	S	83.8	Confident	93.4	Very high	66 Å²	66	73.5 Å²	73.5	46%	0.462	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-1.8	-174.3	66.1	0	0	0	0	114.5	A46	A46-S50 PolarHBondContact O-N 3.2Å; A46-S50 PolarHBondContact O-OG 3.4Å
51	G	85.1	Confident	93.3	Very high	26 Å²	26	68.2 Å²	68.2	27%	0.268	35%	0.354	S	S	.	.			trans	85.4	-139.8	178.4	0	0	0	0	0	113.8	M47 H53	M47-G51 WeakPolarHBondContact CA-O 3.13Å; M47-G51 VanDerWaalsContact SD-O 3.42Å; G51-H53 VanDerWaalsContact C-N 3.33Å; G51-H53 PolarHBondContact O-N 3.45Å
52	I	89.3	Confident	93.1	Very high	88 Å²	88	64 Å²	64	45%	0.451	34%	0.342	S	S	.	.	S	Bend	trans	-95.6	37.6	-168.3	55.7	165.4	0	0	0	113.2	V61	I52-V61 WeakPolarHBondContact CB-O 3.4Å; I52-V61 PolarHBondContact O-N 2.86Å
53	H	94.4	Very high	92.7	Very high	91 Å²	91	73 Å²	73	42%	0.421	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-123.4	134.8	-175.6	-60.3	-66	0	0	0	111.9	M47 G51 R58 G59	M47-H53 WeakPolarHBondContact CE-O 3.44Å; G51-H53 VanDerWaalsContact C-N 3.33Å; G51-H53 PolarHBondContact O-N 3.45Å; H53-R58 PolarHBondContact ND1-O 3.04Å; H53-G59 CarbonylContact C-O 3.51Å; H53-G59 WeakPolarHBondContact CA-O 3.45Å
54	C	95.8	Very high	92.4	Very high	2 Å²	2	81 Å²	81	1%	0.014	40%	0.403	C	S	.	.			trans	-55.9	129.7	177.1	177.6	0	0	0	0	110.7	L56 R58 G59 V61	C54-L56 PolarHBondContact O-N 3.24Å; C54-L56 VanDerWaalsContact O-N 3.08Å; C54-R58 WeakPolarHBondContact O-CA 3.25Å; C54-R58 PolarHBondContact O-N 3.24Å; C54-G59 PolarHBondContact N-O 3.21Å; C54-V61 HydrophobicContact CB-CG2 4.15Å
55	P	95.1	Very high	92.1	Very high	45 Å²	45	79.8 Å²	79.8	29%	0.292	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19	-177.4	-23.5	33.3	0	0	0	115	V20 F38 A46 M47	V20-P55 HydrophobicContact CG2-CB 3.88Å; V20-P55 HydrophobicContact CG2-CG 4.45Å; F38-P55 HydrophobicContact CE1-CB 3.78Å; F38-P55 HydrophobicContact CE1-CG 4.02Å; F38-P55 HydrophobicContact CE2-CG 4.37Å; F38-P55 HydrophobicContact CZ-CB 3.95Å; F38-P55 HydrophobicContact CZ-CG 3.95Å; A46-P55 HydrophobicContact CB-CB 4.16Å; A46-P55 HydrophobicContact CB-CG 3.52Å; M47-P55 HydrophobicContact CE-CG 4.1Å
56	L	94.9	Very high	91.8	Very high	75 Å²	75	81 Å²	81	39%	0.393	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-60.1	-179.5	-78.7	164.9	0	0	0	112.6	P19 H36 F38 C54	P19-L56 HydrophobicContact CB-CD1 3.85Å; P19-L56 HydrophobicContact CB-CD2 3.25Å; P19-L56 HydrophobicContact CB-CG 3.9Å; P19-L56 HydrophobicContact CG-CD1 3.62Å; P19-L56 HydrophobicContact CG-CD2 3.92Å; P19-L56 HydrophobicContact CG-CG 4.25Å; H36-L56 HydrophobicContact CB-CD1 3.85Å; F38-L56 HydrophobicContact CD1-CD1 4.48Å; F38-L56 HydrophobicContact CE1-CB 4.43Å; F38-L56 HydrophobicContact CE1-CD1 3.46Å; F38-L56 VanDerWaalsContact CE1-CD1 3.46Å; F38-L56 HydrophobicContact CE1-CG 3.53Å; F38-L56 HydrophobicContact CE2-CD1 4.33Å; F38-L56 HydrophobicContact CZ-CB 3.98Å; F38-L56 HydrophobicContact CZ-CD1 3.35Å; F38-L56 HydrophobicContact CZ-CG 3.51Å; C54-L56 PolarHBondContact O-N 3.24Å; C54-L56 VanDerWaalsContact O-N 3.08Å
57	C	96.2	Very high	91.6	Very high	61 Å²	61	84.1 Å²	84.1	41%	0.412	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-2.1	-171.8	66.6	0	0	0	0	114.2	C34 H36 G59	C34-C57 PolarHBondContact SG-SG 3.01Å; H36-C57 VanDerWaalsContact CE1-SG 3.57Å; H36-C57 PolarHBondContact ND1-SG 3.02Å; C57-G59 PolarHBondContact O-N 2.95Å; C57-G59 PolarHBondContact SG-N 3.05Å
58	R	94.5	Very high	91.4	Very high	208 Å²	208	88 Å²	88	79%	0.785	45%	0.445	S	S	*	.			trans	60.6	9.1	-173.7	-51.4	180	179.6	-175.4	-0.8	115.2	H53 C54	H53-R58 PolarHBondContact ND1-O 3.04Å; C54-R58 WeakPolarHBondContact O-CA 3.25Å; C54-R58 PolarHBondContact O-N 3.24Å
59	G	93.4	Very high	91.4	Very high	27 Å²	27	79.2 Å²	79.2	28%	0.278	41%	0.414	S	S	.	.			trans	-58.7	159	172.8	0	0	0	0	0	112.3	H53 C54 C57	H53-G59 CarbonylContact C-O 3.51Å; H53-G59 WeakPolarHBondContact CA-O 3.45Å; C54-G59 PolarHBondContact N-O 3.21Å; C57-G59 PolarHBondContact O-N 2.95Å; C57-G59 PolarHBondContact SG-N 3.05Å
60	S	93.1	Very high	91.6	Very high	88 Å²	88	78.1 Å²	78.1	62%	0.615	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-64.6	140.3	-178.8	48.8	0	0	0	0	112.1
61	V	94.2	Very high	92.1	Very high	3 Å²	3	78.1 Å²	78.1	2%	0.018	40%	0.399	C	S	.	.			trans	-122.7	126.6	171.5	175.2	0	0	0	0	107.5	T31 F43 M47 I52 C54 E65	T31-V61 HydrophobicContact CG2-CG2 4.32Å; F43-V61 HydrophobicContact CE2-CG1 4.41Å; F43-V61 HydrophobicContact CE2-CG2 4.49Å; F43-V61 HydrophobicContact CZ-CG1 3.78Å; M47-V61 HydrophobicContact CE-CG2 4.48Å; M47-V61 HydrophobicContact SD-CB 4.04Å; M47-V61 HydrophobicContact SD-CG1 3.77Å; M47-V61 HydrophobicContact SD-CG2 4.24Å; I52-V61 WeakPolarHBondContact CB-O 3.4Å; I52-V61 PolarHBondContact O-N 2.86Å; C54-V61 HydrophobicContact CB-CG2 4.15Å; V61-E65 HydrophobicContact CG1-CB 3.76Å
62	T	91.6	Very high	92.6	Very high	70 Å²	70	77 Å²	77	43%	0.429	39%	0.387	S	S	.	.			trans	-68.6	155.6	-178.3	63.5	0	0	0	0	111.7	R64 E65 R66	T62-R64 PolarHBondContact O-N 3.47Å; T62-E65 WeakPolarHBondContact CB-OE2 3.47Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.37Å; T62-E65 PolarHBondContact N-OE2 3.41Å; T62-E65 PolarHBondContact O-N 2.63Å; T62-E65 VanDerWaalsContact OG1-CG 3.28Å; T62-E65 WeakPolarHBondContact OG1-CG 3.5Å; T62-E65 PolarHBondContact OG1-N 2.96Å; T62-E65 PolarHBondContact OG1-OE2 2.75Å; T62-R66 PolarHBondContact O-N 3.38Å; T62-R66 VanDerWaalsContact O-N 3.08Å
63	R	89.5	Confident	92.8	Very high	208 Å²	208	76.1 Å²	76.1	79%	0.785	38%	0.382	S	S	*	.	H	α-helix	trans	-57.2	-34.3	173.3	-177.5	-179.8	-74.9	-94.5	3.5	111.7	R66 A67	R63-R66 WeakPolarHBondContact O-CB 3.3Å; R63-R66 PolarHBondContact O-N 3.01Å; R63-A67 PolarHBondContact O-N 3.5Å; R63-A67 VanDerWaalsContact O-N 3.11Å
64	R	89.1	Confident	92.8	Very high	173 Å²	173	74.7 Å²	74.7	65%	0.653	38%	0.378	S	S	*	.	H	α-helix	trans	-65	-47.7	177	-170.2	177.4	69.1	-167	2.1	111.7	T62 R66 A67 C68	T62-R64 PolarHBondContact O-N 3.47Å; R64-R66 VanDerWaalsContact C-N 3.25Å; R64-R66 PolarHBondContact O-N 3.35Å; R64-A67 PolarHBondContact O-N 2.76Å; R64-A67 VanDerWaalsContact O-N 3.08Å; R64-C68 PolarHBondContact O-N 3.05Å
65	E	89.8	Confident	92.7	Very high	20 Å²	20	74.9 Å²	74.9	9%	0.093	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-35.2	175.2	-75.1	167.7	85.1	0	0	112.4	A32 V61 T62 C68 P69	A32-E65 HydrophobicContact CB-CG 4.3Å; A32-E65 WeakPolarHBondContact CB-OE1 3.28Å; A32-E65 PolarHBondContact N-OE1 3.27Å; V61-E65 HydrophobicContact CG1-CB 3.76Å; T62-E65 WeakPolarHBondContact CB-OE2 3.47Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.37Å; T62-E65 PolarHBondContact N-OE2 3.41Å; T62-E65 PolarHBondContact O-N 2.63Å; T62-E65 VanDerWaalsContact OG1-CG 3.28Å; T62-E65 WeakPolarHBondContact OG1-CG 3.5Å; T62-E65 PolarHBondContact OG1-N 2.96Å; T62-E65 PolarHBondContact OG1-OE2 2.75Å; E65-C68 CarbonylContact O-C 3.52Å; E65-P69 VanDerWaalsContact O-CA 3.22Å; E65-P69 WeakPolarHBondContact O-CA 2.8Å; E65-P69 WeakPolarHBondContact O-CD 3.49Å; E65-P69 WeakPolarHBondContact O-CG 3.12Å; E65-P69 VanDerWaalsContact O-N 3.12Å
66	R	88.5	Confident	92.7	Very high	91 Å²	91	73.2 Å²	73.2	34%	0.343	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-39.4	173.9	175.6	175.4	179.1	-175.1	2.3	112.3	L44 M47 T62 R63 R64	L44-R66 WeakPolarHBondContact CD2-O 3.38Å; M47-R66 HydrophobicContact CB-CG 3.82Å; M47-R66 HydrophobicContact CG-CB 4.38Å; M47-R66 HydrophobicContact CG-CG 4.14Å; M47-R66 PolarHBondContact O-NE 2.94Å; M47-R66 PolarHBondContact O-NH2 3.28Å; T62-R66 PolarHBondContact O-N 3.38Å; T62-R66 VanDerWaalsContact O-N 3.08Å; R63-R66 WeakPolarHBondContact O-CB 3.3Å; R63-R66 PolarHBondContact O-N 3.01Å; R64-R66 VanDerWaalsContact C-N 3.25Å; R64-R66 PolarHBondContact O-N 3.35Å
67	A	89.2	Confident	92.6	Very high	79 Å²	79	72.3 Å²	72.3	65%	0.653	36%	0.362	S	S	*	.	H	α-helix	trans	-75.6	-46.7	-179.1	0	0	0	0	0	112	R63 R64	R63-A67 PolarHBondContact O-N 3.5Å; R63-A67 VanDerWaalsContact O-N 3.11Å; R64-A67 PolarHBondContact O-N 2.76Å; R64-A67 VanDerWaalsContact O-N 3.08Å
68	C	88.8	Confident	92.4	Very high	80 Å²	80	70.1 Å²	70.1	54%	0.541	35%	0.346	S	S	.	.	S	Bend	trans	-129.5	85.2	179.5	-165.1	0	0	0	0	109.8	R64 E65 E70	R64-C68 PolarHBondContact O-N 3.05Å; E65-C68 CarbonylContact O-C 3.52Å; C68-E70 PolarHBondContact O-N 3.01Å
69	P	92	Very high	92.5	Very high	11 Å²	11	60.6 Å²	60.6	7%	0.071	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-66.9	132.5	178.5	-15.9	27.4	0	0	0	110.8	V29 F43 L44 E65	V29-P69 HydrophobicContact CB-CB 3.9Å; V29-P69 HydrophobicContact CG1-CB 3.86Å; V29-P69 HydrophobicContact CG2-CB 4.23Å; F43-P69 HydrophobicContact CD1-CB 3.9Å; F43-P69 HydrophobicContact CD1-CG 3.74Å; F43-P69 HydrophobicContact CE1-CB 3.82Å; F43-P69 HydrophobicContact CE1-CG 3.74Å; L44-P69 HydrophobicContact CD2-CG 3.73Å; L44-P69 HydrophobicContact CG-CG 4.31Å; E65-P69 VanDerWaalsContact O-CA 3.22Å; E65-P69 WeakPolarHBondContact O-CA 2.8Å; E65-P69 WeakPolarHBondContact O-CD 3.49Å; E65-P69 WeakPolarHBondContact O-CG 3.12Å; E65-P69 VanDerWaalsContact O-N 3.12Å
70	E	94.5	Very high	92.5	Very high	129 Å²	129	62.2 Å²	62.2	60%	0.603	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-68.7	133.6	178.3	-172.6	170.7	-174.4	0	0	111	V29 R30 C68	V29-E70 CarbonylContact C-O 3.54Å; V29-E70 WeakPolarHBondContact CA-O 3.42Å; V29-E70 WeakPolarHBondContact CB-O 3.35Å; R30-E70 PolarHBondContact N-O 3.47Å; C68-E70 PolarHBondContact O-N 3.01Å
71	R	95.8	Very high	92.5	Very high	66 Å²	66	66.4 Å²	66.4	25%	0.249	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-79.8	135.9	179.8	-71.7	179.2	60.2	-151.7	-7.5	110.6	I73 E76 L181	R71-I73 VanDerWaalsContact C-N 3.26Å; R71-I73 HydrophobicContact CB-CG1 3.87Å; R71-I73 PolarHBondContact O-N 3.26Å; R71-E76 IonicContact CZ-OE1 3.49Å; R71-E76 IonicContact CZ-OE2 4Å; R71-E76 IonicContact NE-OE1 3.22Å; R71-E76 PolarHBondContact NE-OE1 2.9Å; R71-E76 IonicContact NH2-OE1 2.88Å; R71-E76 PolarHBondContact NH2-OE1 2.94Å; R71-E76 IonicContact NH2-OE2 2.81Å; R71-E76 PolarHBondContact NH2-OE2 3.45Å; R71-L181 PolarHBondContact NH1-O 3.08Å; R71-L181 VanDerWaalsContact NH2-CD2 3.32Å
72	A	95.8	Very high	92.5	Very high	2 Å²	2	69 Å²	69	2%	0.017	33%	0.326	C	S	.	.			trans	-82.6	69.4	171.7	0	0	0	0	0	110.5	P28 R30 V37 D74 L75 E76	P28-A72 HydrophobicContact CB-CB 4.06Å; P28-A72 HydrophobicContact CG-CB 4.24Å; P28-A72 PolarHBondContact O-N 3.38Å; R30-A72 HydrophobicContact CB-CB 4.2Å; V37-A72 HydrophobicContact CG1-CB 4.31Å; A72-D74 VanDerWaalsContact C-N 3.3Å; A72-D74 WeakPolarHBondContact CA-OD1 3.13Å; A72-D74 PolarHBondContact O-N 3.14Å; A72-L75 HydrophobicContact CB-CB 4Å; A72-L75 PolarHBondContact O-N 2.75Å; A72-L75 VanDerWaalsContact O-N 3.14Å; A72-E76 PolarHBondContact O-N 3.29Å
73	I	93.5	Very high	92.7	Very high	70 Å²	70	68.1 Å²	68.1	36%	0.359	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-37.3	-173.6	-59	175.9	0	0	0	111.6	R71 L75 E76 N77 F182	R71-I73 VanDerWaalsContact C-N 3.26Å; R71-I73 HydrophobicContact CB-CG1 3.87Å; R71-I73 PolarHBondContact O-N 3.26Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.43Å; I73-E76 PolarHBondContact O-N 2.81Å; I73-N77 VanDerWaalsContact O-CG 3.32Å; I73-N77 PolarHBondContact O-N 2.92Å; I73-N77 PolarHBondContact O-ND2 3.36Å; I73-F182 HydrophobicContact CG2-CD1 4.08Å; I73-F182 HydrophobicContact CG2-CE1 3.63Å
74	D	93.7	Very high	92.9	Very high	61 Å²	61	58.2 Å²	58.2	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-51	-51.4	170.4	60.4	-37.8	0	0	0	111	R30 A72 E76 N77 I78	R30-D74 IonicContact CZ-OD1 3.8Å; R30-D74 IonicContact CZ-OD2 3.32Å; R30-D74 IonicContact NH1-OD1 3.81Å; R30-D74 IonicContact NH1-OD2 3.01Å; R30-D74 PolarHBondContact NH1-OD2 3.3Å; R30-D74 IonicContact NH2-OD1 3.35Å; R30-D74 PolarHBondContact NH2-OD1 3.21Å; R30-D74 IonicContact NH2-OD2 2.75Å; R30-D74 PolarHBondContact NH2-OD2 3.15Å; A72-D74 VanDerWaalsContact C-N 3.3Å; A72-D74 WeakPolarHBondContact CA-OD1 3.13Å; A72-D74 PolarHBondContact O-N 3.14Å; D74-E76 PolarHBondContact O-N 2.7Å; D74-N77 WeakPolarHBondContact O-CB 3.36Å; D74-N77 PolarHBondContact O-N 3.45Å; D74-I78 WeakPolarHBondContact O-CD1 3.32Å; D74-I78 WeakPolarHBondContact O-CG1 3.42Å; D74-I78 PolarHBondContact O-N 3.07Å; D74-I78 VanDerWaalsContact O-N 3.11Å
75	L	94.1	Very high	93.1	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-39.1	-179.9	-165.1	68.2	0	0	0	111.6	Y11 F16 L25 P28 V37 A72 I73 N77 I78 M79	Y11-L75 HydrophobicContact CD1-CD1 4.18Å; Y11-L75 HydrophobicContact CE1-CD1 4.01Å; F16-L75 HydrophobicContact CD1-CD1 4.14Å; F16-L75 HydrophobicContact CE1-CD1 3.85Å; L25-L75 HydrophobicContact CD1-CD2 3.45Å; L25-L75 VanDerWaalsContact CD1-CD2 3.45Å; P28-L75 HydrophobicContact CB-CD2 4.37Å; V37-L75 HydrophobicContact CB-CD2 4.39Å; V37-L75 HydrophobicContact CG1-CD2 3.74Å; V37-L75 HydrophobicContact CG2-CD2 4.37Å; A72-L75 HydrophobicContact CB-CB 4Å; A72-L75 PolarHBondContact O-N 2.75Å; A72-L75 VanDerWaalsContact O-N 3.14Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.43Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 2.94Å; L75-I78 PolarHBondContact O-N 2.98Å; L75-M79 VanDerWaalsContact O-CG 3.25Å; L75-M79 WeakPolarHBondContact O-CG 3.4Å; L75-M79 PolarHBondContact O-N 3.35Å
76	E	93.5	Very high	93.4	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-40.7	173.2	-69.1	-171.2	-152.9	0	0	112.4	P28 R71 A72 I73 D74 I78 M79 R80	P28-E76 VanDerWaalsContact CD-CG 3.47Å; P28-E76 HydrophobicContact CG-CG 3.37Å; R71-E76 IonicContact CZ-OE1 3.49Å; R71-E76 IonicContact CZ-OE2 4Å; R71-E76 IonicContact NE-OE1 3.22Å; R71-E76 PolarHBondContact NE-OE1 2.9Å; R71-E76 IonicContact NH2-OE1 2.88Å; R71-E76 PolarHBondContact NH2-OE1 2.94Å; R71-E76 IonicContact NH2-OE2 2.81Å; R71-E76 PolarHBondContact NH2-OE2 3.45Å; A72-E76 PolarHBondContact O-N 3.29Å; I73-E76 PolarHBondContact O-N 2.81Å; D74-E76 PolarHBondContact O-N 2.7Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-M79 PolarHBondContact O-N 3.32Å; E76-R80 WeakPolarHBondContact O-CG 3.23Å; E76-R80 PolarHBondContact O-N 3.36Å; E76-R80 IonicContact OE2-NH2 3.29Å; E76-R80 PolarHBondContact OE2-NH2 3Å
77	N	92.9	Very high	93.5	Very high	56 Å²	56	52.2 Å²	52.2	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-37.4	178	-73.8	-23.9	0	0	0	112	I73 D74 L75 R80 R81 F182	I73-N77 VanDerWaalsContact O-CG 3.32Å; I73-N77 PolarHBondContact O-N 2.92Å; I73-N77 PolarHBondContact O-ND2 3.36Å; D74-N77 WeakPolarHBondContact O-CB 3.36Å; D74-N77 PolarHBondContact O-N 3.45Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 2.94Å; N77-R80 PolarHBondContact O-N 3.28Å; N77-R81 PolarHBondContact O-NE 2.95Å; N77-F182 VanDerWaalsContact OD1-CE1 3.3Å; N77-F182 WeakPolarHBondContact OD1-CE1 3.31Å; N77-F182 WeakPolarHBondContact OD1-CZ 3.19Å
78	I	93.9	Very high	93.7	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.077	24%	0.242	C	C	.	.	H	α-helix	trans	-67.3	-45	174.6	-63.7	154.2	0	0	0	110.1	Y11 F16 D74 L75 E76 R80 R81 V82	Y11-I78 HydrophobicContact CD2-CD1 3.92Å; Y11-I78 HydrophobicContact CD2-CG2 4.06Å; Y11-I78 HydrophobicContact CE1-CD1 3.95Å; Y11-I78 HydrophobicContact CE2-CD1 3.18Å; Y11-I78 HydrophobicContact CE2-CG1 4.12Å; Y11-I78 HydrophobicContact CE2-CG2 4.43Å; Y11-I78 HydrophobicContact CG-CG2 4.43Å; Y11-I78 VanDerWaalsContact OH-CD1 3.25Å; Y11-I78 WeakPolarHBondContact OH-CD1 3.08Å; F16-I78 HydrophobicContact CE1-CB 4.32Å; F16-I78 HydrophobicContact CE1-CG2 3.69Å; F16-I78 HydrophobicContact CZ-CG2 3.56Å; D74-I78 WeakPolarHBondContact O-CD1 3.32Å; D74-I78 WeakPolarHBondContact O-CG1 3.42Å; D74-I78 PolarHBondContact O-N 3.07Å; D74-I78 VanDerWaalsContact O-N 3.11Å; L75-I78 PolarHBondContact O-N 2.98Å; E76-I78 VanDerWaalsContact C-N 3.33Å; I78-R80 PolarHBondContact O-N 3.01Å; I78-R80 VanDerWaalsContact O-N 3.08Å; I78-R81 PolarHBondContact O-N 3.29Å; I78-V82 HydrophobicContact CG2-CB 4.46Å; I78-V82 HydrophobicContact CG2-CG2 3.63Å; I78-V82 PolarHBondContact O-N 3.39Å
79	M	95.3	Very high	94	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.034	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-22.1	177.7	-70.7	177.9	82.5	0	0	114.4	F16 V24 L25 L75 E76 F95 Y96	F16-M79 HydrophobicContact CD1-CG 3.35Å; F16-M79 HydrophobicContact CD1-SD 4.28Å; F16-M79 HydrophobicContact CE1-CG 3.78Å; F16-M79 HydrophobicContact CG-CG 4.32Å; V24-M79 HydrophobicContact CG1-CE 3.46Å; V24-M79 VanDerWaalsContact CG1-CE 3.46Å; L25-M79 HydrophobicContact CB-CE 4.04Å; L25-M79 HydrophobicContact CB-SD 4.16Å; L25-M79 WeakPolarHBondContact O-CE 3.35Å; L75-M79 VanDerWaalsContact O-CG 3.25Å; L75-M79 WeakPolarHBondContact O-CG 3.4Å; L75-M79 PolarHBondContact O-N 3.35Å; E76-M79 PolarHBondContact O-N 3.32Å; M79-F95 HydrophobicContact CB-CB 3.97Å; M79-F95 HydrophobicContact CE-CB 3.94Å; M79-F95 HydrophobicContact CG-CB 4.08Å; M79-F95 PolarHBondContact O-N 2.82Å; M79-Y96 PolarHBondContact O-N 3.2Å
80	R	93.9	Very high	94.1	Very high	62 Å²	62	50.7 Å²	50.7	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-80.1	-23	174.1	-69.6	174.4	-150.2	-85	-4.9	113.2	E76 N77 I78 K94 Y96	E76-R80 WeakPolarHBondContact O-CG 3.23Å; E76-R80 PolarHBondContact O-N 3.36Å; E76-R80 IonicContact OE2-NH2 3.29Å; E76-R80 PolarHBondContact OE2-NH2 3Å; N77-R80 PolarHBondContact O-N 3.28Å; I78-R80 PolarHBondContact O-N 3.01Å; I78-R80 VanDerWaalsContact O-N 3.08Å; R80-K94 WeakPolarHBondContact O-CD 3.46Å; R80-K94 PolarHBondContact O-NZ 2.67Å; R80-Y96 HydrophobicContact CB-CD1 4.47Å; R80-Y96 HydrophobicContact CG-CD1 4.35Å; R80-Y96 HydrophobicContact CG-CG 4.16Å
81	R	93.3	Very high	94.2	Very high	176 Å²	176	50.9 Å²	50.9	66%	0.664	25%	0.252	S	S	*	.	H	α-helix	trans	-98.6	-42.4	-177.2	-66.6	-178.2	-73.7	-178.5	3.7	111.5	N77 I78	N77-R81 PolarHBondContact O-NE 2.95Å; I78-R81 PolarHBondContact O-N 3.29Å
82	V	93.7	Very high	94.2	Very high	57 Å²	57	54.1 Å²	54.1	35%	0.345	27%	0.268	S	S	.	.			trans	-83.8	140.2	-175.7	-176	0	0	0	0	111.4	F16 I78 K94 F95	F16-V82 HydrophobicContact CE2-CG1 4.18Å; F16-V82 HydrophobicContact CZ-CB 4.41Å; F16-V82 HydrophobicContact CZ-CG1 4.42Å; I78-V82 HydrophobicContact CG2-CB 4.46Å; I78-V82 HydrophobicContact CG2-CG2 3.63Å; I78-V82 PolarHBondContact O-N 3.39Å; V82-K94 WeakPolarHBondContact O-CA 3.4Å; V82-F95 HydrophobicContact CB-CD2 4.31Å; V82-F95 HydrophobicContact CG1-CD2 4.07Å; V82-F95 HydrophobicContact CG1-CE2 3.95Å; V82-F95 PolarHBondContact O-N 3.48Å; V82-F95 VanDerWaalsContact O-N 3.15Å
83	S	95	Very high	94.2	Very high	52 Å²	52	55.7 Å²	55.7	36%	0.364	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.4	175.1	-57.8	0	0	0	0	111.1	I93 K94	S83-I93 WeakPolarHBondContact CA-O 3.48Å; S83-K94 WeakPolarHBondContact OG-CG 3.34Å
84	G	94.1	Very high	94.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	164.8	173.4	0	0	0	0	0	111.7	E13 K92 I93 M98	E13-G84 WeakPolarHBondContact OE1-CA 3.34Å; G84-K92 WeakPolarHBondContact O-CA 3.22Å; G84-I93 PolarHBondContact N-O 3.34Å; G84-I93 PolarHBondContact O-N 3.2Å; G84-M98 WeakPolarHBondContact O-CE 3.46Å
85	S	94.8	Very high	94.4	Very high	37 Å²	37	54 Å²	54	26%	0.259	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.2	171.3	-19.5	0	0	0	0	110.3	E13 R87 K92	E13-S85 PolarHBondContact OE1-N 3.48Å; S85-R87 PolarHBondContact O-N 2.76Å; S85-K92 PolarHBondContact OG-NZ 2.98Å
86	C	94.9	Very high	94.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.007	28%	0.28	C	S	.	.			trans	-62.7	129.8	164.2	173.6	0	0	0	0	110	C88 C89 S90 K91 M98 H101	C86-C88 PolarHBondContact O-N 3.45Å; C86-C89 VanDerWaalsContact CB-SG 3.59Å; C86-S90 VanDerWaalsContact O-CA 3.29Å; C86-S90 WeakPolarHBondContact O-CA 3.25Å; C86-S90 PolarHBondContact O-N 2.9Å; C86-K91 PolarHBondContact N-O 2.83Å; C86-M98 HydrophobicContact CB-SD 4.17Å; C86-H101 VanDerWaalsContact CB-NE2 3.28Å; C86-H101 WeakPolarHBondContact CB-NE2 3.47Å; C86-H101 PolarHBondContact SG-NE2 3.07Å
87	R	91.6	Very high	94.5	Very high	119 Å²	119	65.1 Å²	65.1	45%	0.449	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.9	-178.2	-63.7	176.6	177.5	171.3	-7.6	113.8	Q22 S85	Q22-R87 PolarHBondContact O-NH1 3.41Å; S85-R87 PolarHBondContact O-N 2.76Å
88	C	93.3	Very high	94.7	Very high	17 Å²	17	62.4 Å²	62.4	12%	0.115	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-32.8	-173.5	-50.7	0	0	0	0	113.9	C86 K107 Y108 E111	C86-C88 PolarHBondContact O-N 3.45Å; C88-K107 HydrophobicContact CB-CB 3.64Å; C88-K107 WeakPolarHBondContact O-CD 3.3Å; C88-Y108 VanDerWaalsContact SG-CD2 3.6Å; C88-E111 PolarHBondContact SG-OE2 3.49Å
89	C	95	Very high	94.7	Very high	29 Å²	29	65.1 Å²	65.1	20%	0.196	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-1.7	-175.4	78.8	0	0	0	0	114.9	C86 K91 H101 C105 K107	C86-C89 VanDerWaalsContact CB-SG 3.59Å; C89-K91 PolarHBondContact O-N 3.41Å; C89-K91 VanDerWaalsContact SG-CG 3.52Å; C89-H101 PolarHBondContact SG-CE1 3.36Å; C89-H101 PolarHBondContact SG-NE2 2.74Å; C89-C105 VanDerWaalsContact SG-SG 3.63Å; C89-K107 HydrophobicContact CB-CD 4.29Å
90	S	93.5	Very high	94.6	Very high	93 Å²	93	71.3 Å²	71.3	65%	0.65	33%	0.328	S	S	*	.			trans	59.6	5.1	178.9	-47.6	0	0	0	0	115.7	C86 K92	C86-S90 VanDerWaalsContact O-CA 3.29Å; C86-S90 WeakPolarHBondContact O-CA 3.25Å; C86-S90 PolarHBondContact O-N 2.9Å; S90-K92 PolarHBondContact O-N 3.12Å
91	K	95.6	Very high	94.7	Very high	132 Å²	132	69.1 Å²	69.1	57%	0.574	32%	0.321	S	S	*	.			trans	-62.2	134.5	173.3	-68.4	180	-176.3	-179.5	0	109.7	C86 C89 I93	C86-K91 PolarHBondContact N-O 2.83Å; C89-K91 PolarHBondContact O-N 3.41Å; C89-K91 VanDerWaalsContact SG-CG 3.52Å; K91-I93 HydrophobicContact CB-CD1 4.17Å; K91-I93 HydrophobicContact CB-CG1 4.31Å; K91-I93 PolarHBondContact O-N 3.38Å
92	K	96.8	Very high	94.8	Very high	135 Å²	135	61 Å²	61	59%	0.587	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	172.1	-71.5	-63.4	-169.8	-175.8	0	109.7	E13 G84 S85 S90	E13-K92 IonicContact OE1-NZ 3.78Å; G84-K92 WeakPolarHBondContact O-CA 3.22Å; S85-K92 PolarHBondContact OG-NZ 2.98Å; S90-K92 PolarHBondContact O-N 3.12Å
93	I	95.9	Very high	94.8	Very high	35 Å²	35	66.1 Å²	66.1	18%	0.179	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.9	-177.4	-51.8	-68	0	0	0	108	S83 G84 K91 F95 R97 M98 H101	S83-I93 WeakPolarHBondContact CA-O 3.48Å; G84-I93 PolarHBondContact N-O 3.34Å; G84-I93 PolarHBondContact O-N 3.2Å; K91-I93 HydrophobicContact CB-CD1 4.17Å; K91-I93 HydrophobicContact CB-CG1 4.31Å; K91-I93 PolarHBondContact O-N 3.38Å; I93-F95 PolarHBondContact O-N 3.05Å; I93-R97 HydrophobicContact CG2-CB 3.91Å; I93-M98 HydrophobicContact CB-CE 3.72Å; I93-M98 HydrophobicContact CB-SD 3.81Å; I93-M98 HydrophobicContact CG1-CE 4.37Å; I93-M98 HydrophobicContact CG1-SD 4.12Å; I93-M98 HydrophobicContact CG2-SD 4.23Å; I93-H101 HydrophobicContact CD1-CB 4.44Å; I93-H101 HydrophobicContact CG1-CB 4.17Å; I93-H101 HydrophobicContact CG2-CB 4.05Å
94	K	95.5	Very high	94.7	Very high	93 Å²	93	67.7 Å²	67.7	40%	0.404	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.8	171.2	-67.7	-176.2	167.9	-163.8	0	110	R80 V82 S83 Y96 R97 M98	R80-K94 WeakPolarHBondContact O-CD 3.46Å; R80-K94 PolarHBondContact O-NZ 2.67Å; V82-K94 WeakPolarHBondContact O-CA 3.4Å; S83-K94 WeakPolarHBondContact OG-CG 3.34Å; K94-Y96 HydrophobicContact CB-CD1 3.56Å; K94-Y96 HydrophobicContact CB-CE1 3.5Å; K94-Y96 VanDerWaalsContact CB-CE1 3.5Å; K94-Y96 HydrophobicContact CD-CD1 4.37Å; K94-Y96 HydrophobicContact CD-CE1 3.63Å; K94-Y96 HydrophobicContact CG-CE1 4.2Å; K94-Y96 PolarHBondContact O-N 2.63Å; K94-Y96 VanDerWaalsContact O-N 3.12Å; K94-R97 WeakPolarHBondContact O-CA 3.37Å; K94-R97 PolarHBondContact O-N 2.97Å; K94-M98 PolarHBondContact O-N 2.99Å
95	F	96	Very high	94.8	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-55.4	-38.7	-171	-84.1	-76	0	0	0	113.1	E13 F16 Y17 V24 M79 V82 I93 R97 M98	E13-F95 HydrophobicContact CB-CZ 4.14Å; E13-F95 HydrophobicContact CG-CZ 4.16Å; F16-F95 HydrophobicContact CB-CD1 3.58Å; F16-F95 HydrophobicContact CB-CD2 4.35Å; F16-F95 HydrophobicContact CB-CE1 3.67Å; F16-F95 HydrophobicContact CB-CE2 4.43Å; F16-F95 HydrophobicContact CB-CG 3.94Å; F16-F95 HydrophobicContact CB-CZ 4.1Å; F16-F95 HydrophobicContact CD2-CD1 4.27Å; F16-F95 AromaticContact CD2-CD2 3.64Å; F16-F95 HydrophobicContact CD2-CD2 3.64Å; F16-F95 AromaticContact CD2-CE1 3.99Å; F16-F95 HydrophobicContact CD2-CE1 3.99Å; F16-F95 AromaticContact CD2-CE2 3.31Å; F16-F95 HydrophobicContact CD2-CE2 3.31Å; F16-F95 HydrophobicContact CD2-CG 4.11Å; F16-F95 AromaticContact CD2-CZ 3.51Å; F16-F95 HydrophobicContact CD2-CZ 3.51Å; F16-F95 HydrophobicContact CE2-CD2 4.04Å; F16-F95 AromaticContact CE2-CE2 3.74Å; F16-F95 HydrophobicContact CE2-CE2 3.74Å; F16-F95 HydrophobicContact CE2-CZ 4.32Å; F16-F95 HydrophobicContact CG-CD1 4.05Å; F16-F95 AromaticContact CG-CD2 3.9Å; F16-F95 HydrophobicContact CG-CD2 3.9Å; F16-F95 HydrophobicContact CG-CE1 4.14Å; F16-F95 AromaticContact CG-CE2 4Å; F16-F95 HydrophobicContact CG-CE2 4Å; F16-F95 AromaticContact CG-CG 3.93Å; F16-F95 HydrophobicContact CG-CG 3.93Å; F16-F95 HydrophobicContact CG-CZ 4.11Å; Y17-F95 HydrophobicContact CE2-CE1 4.02Å; V24-F95 HydrophobicContact CG1-CB 4.36Å; V24-F95 HydrophobicContact CG1-CD1 3.94Å; V24-F95 HydrophobicContact CG2-CD1 4.1Å; V24-F95 HydrophobicContact CG2-CE1 4.43Å; M79-F95 HydrophobicContact CB-CB 3.97Å; M79-F95 HydrophobicContact CE-CB 3.94Å; M79-F95 HydrophobicContact CG-CB 4.08Å; M79-F95 PolarHBondContact O-N 2.82Å; V82-F95 HydrophobicContact CB-CD2 4.31Å; V82-F95 HydrophobicContact CG1-CD2 4.07Å; V82-F95 HydrophobicContact CG1-CE2 3.95Å; V82-F95 PolarHBondContact O-N 3.48Å; V82-F95 VanDerWaalsContact O-N 3.15Å; I93-F95 PolarHBondContact O-N 3.05Å; F95-R97 PolarHBondContact O-N 3.24Å; F95-R97 VanDerWaalsContact O-N 3.09Å; F95-M98 WeakPolarHBondContact O-CB 3.16Å; F95-M98 PolarHBondContact O-N 3.45Å
96	Y	94.5	Very high	94.8	Very high	98 Å²	98	74 Å²	74	38%	0.384	34%	0.343	S	S	.	.	H	α-helix	trans	-59.6	-22.9	176.6	86.6	-76.3	0	0	0	114.2	M79 R80 K94	M79-Y96 PolarHBondContact O-N 3.2Å; R80-Y96 HydrophobicContact CB-CD1 4.47Å; R80-Y96 HydrophobicContact CG-CD1 4.35Å; R80-Y96 HydrophobicContact CG-CG 4.16Å; K94-Y96 HydrophobicContact CB-CD1 3.56Å; K94-Y96 HydrophobicContact CB-CE1 3.5Å; K94-Y96 VanDerWaalsContact CB-CE1 3.5Å; K94-Y96 HydrophobicContact CD-CD1 4.37Å; K94-Y96 HydrophobicContact CD-CE1 3.63Å; K94-Y96 HydrophobicContact CG-CE1 4.2Å; K94-Y96 PolarHBondContact O-N 2.63Å; K94-Y96 VanDerWaalsContact O-N 3.12Å
97	R	95.8	Very high	94.7	Very high	151 Å²	151	80.2 Å²	80.2	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-98.9	-9.2	175.5	-73.1	-174.1	175.5	-178.1	2.3	113.7	I93 K94 F95 R99 H100 H101	I93-R97 HydrophobicContact CG2-CB 3.91Å; K94-R97 WeakPolarHBondContact O-CA 3.37Å; K94-R97 PolarHBondContact O-N 2.97Å; F95-R97 PolarHBondContact O-N 3.24Å; F95-R97 VanDerWaalsContact O-N 3.09Å; R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 2.91Å; R97-H100 WeakPolarHBondContact O-CA 3.44Å; R97-H100 WeakPolarHBondContact O-CB 3.47Å; R97-H100 PolarHBondContact O-N 3.01Å; R97-H101 PolarHBondContact O-N 3.36Å
98	M	95.5	Very high	94.8	Very high	0 Å²	0	75 Å²	75	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-41.9	-171.5	-169.6	65.6	81.4	0	0	112.5	V24 G84 C86 I93 K94 F95 H100 H101 Y102	V24-M98 HydrophobicContact CB-CB 4.39Å; V24-M98 HydrophobicContact CG1-CB 4.32Å; V24-M98 HydrophobicContact CG2-CB 3.9Å; V24-M98 HydrophobicContact CG2-CG 3.73Å; G84-M98 WeakPolarHBondContact O-CE 3.46Å; C86-M98 HydrophobicContact CB-SD 4.17Å; I93-M98 HydrophobicContact CB-CE 3.72Å; I93-M98 HydrophobicContact CB-SD 3.81Å; I93-M98 HydrophobicContact CG1-CE 4.37Å; I93-M98 HydrophobicContact CG1-SD 4.12Å; I93-M98 HydrophobicContact CG2-SD 4.23Å; K94-M98 PolarHBondContact O-N 2.99Å; F95-M98 WeakPolarHBondContact O-CB 3.16Å; F95-M98 PolarHBondContact O-N 3.45Å; M98-H100 VanDerWaalsContact C-N 3.25Å; M98-H100 PolarHBondContact O-N 2.95Å; M98-H101 CarbonylContact O-C 3.6Å; M98-H101 WeakPolarHBondContact O-CA 3.33Å; M98-H101 WeakPolarHBondContact O-CB 3.13Å; M98-H101 PolarHBondContact O-N 2.88Å; M98-H101 VanDerWaalsContact O-N 3.08Å; M98-Y102 HydrophobicContact CG-CD1 4.37Å; M98-Y102 HydrophobicContact CG-CE1 3.71Å; M98-Y102 HydrophobicContact CG-CE2 4.06Å; M98-Y102 PolarHBondContact O-N 3.22Å; M98-Y102 HydrophobicContact SD-CD1 4.43Å; M98-Y102 HydrophobicContact SD-CE1 3.77Å
99	R	94.5	Very high	94.9	Very high	72 Å²	72	78.2 Å²	78.2	27%	0.272	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-31	174.5	-73.6	-162.2	-179	-154.6	0.8	114	V24 C39 R97	V24-R99 HydrophobicContact CB-CG 4.38Å; V24-R99 PolarHBondContact O-NE 2.75Å; V24-R99 PolarHBondContact O-NH2 2.97Å; C39-R99 PolarHBondContact SG-NH2 3.32Å; R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 2.91Å
100	H	94.5	Very high	94.7	Very high	136 Å²	136	82.5 Å²	82.5	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-73	-41.4	173.9	-179.9	79.1	0	0	0	110.3	R97 M98 Y102 K103	R97-H100 WeakPolarHBondContact O-CA 3.44Å; R97-H100 WeakPolarHBondContact O-CB 3.47Å; R97-H100 PolarHBondContact O-N 3.01Å; M98-H100 VanDerWaalsContact C-N 3.25Å; M98-H100 PolarHBondContact O-N 2.95Å; H100-Y102 VanDerWaalsContact C-N 3.31Å; H100-Y102 PolarHBondContact O-N 3.06Å; H100-K103 WeakPolarHBondContact O-CB 3.41Å; H100-K103 PolarHBondContact O-N 3.39Å; H100-K103 VanDerWaalsContact O-N 3.15Å
101	H	96.1	Very high	94.6	Very high	16 Å²	16	83.7 Å²	83.7	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-57.8	-41.1	173.9	169.3	67.9	0	0	0	112.5	C86 C89 I93 R97 M98 K103 S104 C105	C86-H101 VanDerWaalsContact CB-NE2 3.28Å; C86-H101 WeakPolarHBondContact CB-NE2 3.47Å; C86-H101 PolarHBondContact SG-NE2 3.07Å; C89-H101 PolarHBondContact SG-CE1 3.36Å; C89-H101 PolarHBondContact SG-NE2 2.74Å; I93-H101 HydrophobicContact CD1-CB 4.44Å; I93-H101 HydrophobicContact CG1-CB 4.17Å; I93-H101 HydrophobicContact CG2-CB 4.05Å; R97-H101 PolarHBondContact O-N 3.36Å; M98-H101 CarbonylContact O-C 3.6Å; M98-H101 WeakPolarHBondContact O-CA 3.33Å; M98-H101 WeakPolarHBondContact O-CB 3.13Å; M98-H101 PolarHBondContact O-N 2.88Å; M98-H101 VanDerWaalsContact O-N 3.08Å; H101-K103 PolarHBondContact O-N 2.93Å; H101-K103 VanDerWaalsContact O-N 3.15Å; H101-S104 CarbonylContact O-C 3.51Å; H101-S104 PolarHBondContact O-N 3.48Å; H101-S104 PolarHBondContact O-OG 2.85Å; H101-C105 WeakPolarHBondContact NE2-CB 3.22Å; H101-C105 VanDerWaalsContact O-CB 3.27Å; H101-C105 WeakPolarHBondContact O-CB 3.38Å; H101-C105 PolarHBondContact O-N 3.35Å
102	Y	94.6	Very high	94.3	Very high	7 Å²	7	82.8 Å²	82.8	3%	0.027	37%	0.373	C	S	.	.	H	α-helix	trans	-57.1	-31.7	177.4	-67.9	-19.7	0	0	0	113.4	E23 V24 M98 H100 S104 Y108 Q109	E23-Y102 WeakPolarHBondContact OE2-CD2 3.36Å; E23-Y102 VanDerWaalsContact OE2-CE2 3.23Å; E23-Y102 WeakPolarHBondContact OE2-CE2 3.47Å; V24-Y102 HydrophobicContact CG2-CE2 4.41Å; M98-Y102 HydrophobicContact CG-CD1 4.37Å; M98-Y102 HydrophobicContact CG-CE1 3.71Å; M98-Y102 HydrophobicContact CG-CE2 4.06Å; M98-Y102 PolarHBondContact O-N 3.22Å; M98-Y102 HydrophobicContact SD-CD1 4.43Å; M98-Y102 HydrophobicContact SD-CE1 3.77Å; H100-Y102 VanDerWaalsContact C-N 3.31Å; H100-Y102 PolarHBondContact O-N 3.06Å; Y102-S104 VanDerWaalsContact C-N 3.34Å; Y102-S104 PolarHBondContact O-N 3.23Å; Y102-Y108 HydrophobicContact CD1-CD1 4.17Å; Y102-Y108 AromaticContact CD1-CD2 3.47Å; Y102-Y108 HydrophobicContact CD1-CD2 3.47Å; Y102-Y108 VanDerWaalsContact CD1-CD2 3.47Å; Y102-Y108 HydrophobicContact CD1-CE1 4.33Å; Y102-Y108 AromaticContact CD1-CE2 3.65Å; Y102-Y108 HydrophobicContact CD1-CE2 3.65Å; Y102-Y108 AromaticContact CD1-CG 3.75Å; Y102-Y108 HydrophobicContact CD1-CG 3.75Å; Y102-Y108 HydrophobicContact CD2-CD1 4.47Å; Y102-Y108 HydrophobicContact CD2-CD2 4.44Å; Y102-Y108 AromaticContact CD2-CE1 3.88Å; Y102-Y108 HydrophobicContact CD2-CE1 3.88Å; Y102-Y108 AromaticContact CD2-CE2 3.85Å; Y102-Y108 HydrophobicContact CD2-CE2 3.85Å; Y102-Y108 AromaticContact CD2-CZ 3.54Å; Y102-Y108 AromaticContact CE1-CD2 3.64Å; Y102-Y108 HydrophobicContact CE1-CD2 3.64Å; Y102-Y108 AromaticContact CE1-CE2 3.59Å; Y102-Y108 HydrophobicContact CE1-CE2 3.59Å; Y102-Y108 HydrophobicContact CE1-CG 4.38Å; Y102-Y108 AromaticContact CE2-CE2 3.78Å; Y102-Y108 HydrophobicContact CE2-CE2 3.78Å; Y102-Y108 AromaticContact CE2-CZ 3.77Å; Y102-Y108 AromaticContact CG-CD1 3.87Å; Y102-Y108 HydrophobicContact CG-CD1 3.87Å; Y102-Y108 AromaticContact CG-CD2 3.91Å; Y102-Y108 HydrophobicContact CG-CD2 3.91Å; Y102-Y108 AromaticContact CG-CE1 3.75Å; Y102-Y108 HydrophobicContact CG-CE1 3.75Å; Y102-Y108 AromaticContact CG-CE2 3.79Å; Y102-Y108 HydrophobicContact CG-CE2 3.79Å; Y102-Y108 AromaticContact CG-CG 3.95Å; Y102-Y108 HydrophobicContact CG-CG 3.95Å; Y102-Y108 AromaticContact CG-CZ 3.71Å; Y102-Y108 AromaticContact CZ-CE2 3.64Å; Y102-Q109 PolarHBondContact O-NE2 3.49Å
103	K	93.2	Very high	93.6	Very high	163 Å²	163	77.8 Å²	77.8	71%	0.709	36%	0.359	S	S	*	.	H	α-helix	trans	-69	-29.2	175.5	-61.1	-177.1	176.4	-168.5	0	113.8	H100 H101	H100-K103 WeakPolarHBondContact O-CB 3.41Å; H100-K103 PolarHBondContact O-N 3.39Å; H100-K103 VanDerWaalsContact O-N 3.15Å; H101-K103 PolarHBondContact O-N 2.93Å; H101-K103 VanDerWaalsContact O-N 3.15Å
104	S	93.9	Very high	92.3	Very high	86 Å²	86	82.5 Å²	82.5	60%	0.601	39%	0.39	S	S	*	.	H	α-helix	trans	-104	-6.4	-180	59	0	0	0	0	113.5	H101 Y102 K106	H101-S104 CarbonylContact O-C 3.51Å; H101-S104 PolarHBondContact O-N 3.48Å; H101-S104 PolarHBondContact O-OG 2.85Å; Y102-S104 VanDerWaalsContact C-N 3.34Å; Y102-S104 PolarHBondContact O-N 3.23Å; S104-K106 PolarHBondContact O-N 3.45Å
105	C	95.5	Very high	90.5	Very high	8 Å²	8	82.6 Å²	82.6	5%	0.054	40%	0.402	C	S	.	.			trans	-83.8	99.2	177.7	-173.3	0	0	0	0	109.8	C89 H101 K107 Y108 Q109	C89-C105 VanDerWaalsContact SG-SG 3.63Å; H101-C105 WeakPolarHBondContact NE2-CB 3.22Å; H101-C105 VanDerWaalsContact O-CB 3.27Å; H101-C105 WeakPolarHBondContact O-CB 3.38Å; H101-C105 PolarHBondContact O-N 3.35Å; C105-K107 VanDerWaalsContact C-N 3.3Å; C105-K107 PolarHBondContact O-N 2.87Å; C105-Y108 WeakPolarHBondContact O-CB 3.38Å; C105-Y108 PolarHBondContact O-N 2.96Å; C105-Q109 PolarHBondContact O-N 2.97Å
106	K	94.3	Very high	88.6	Confident	162 Å²	162	87.9 Å²	87.9	70%	0.704	44%	0.44	S	S	*	.	H	α-helix	trans	-49.5	-49.5	179.1	-171.6	176.7	179	-179.6	0	112.4	S104 Y108 Q109 D110	S104-K106 PolarHBondContact O-N 3.45Å; K106-Y108 VanDerWaalsContact C-N 3.27Å; K106-Y108 PolarHBondContact O-N 3.24Å; K106-Q109 PolarHBondContact O-N 3.33Å; K106-Q109 VanDerWaalsContact O-N 3.12Å; K106-D110 PolarHBondContact O-N 3.41Å
107	K	94.3	Very high	86.2	Confident	131 Å²	131	88.6 Å²	88.6	57%	0.57	45%	0.454	S	S	*	.	H	α-helix	trans	-58.1	-36.3	178.2	-63.5	-172.2	174.2	-171.1	0	113.6	C88 C89 C105 E111	C88-K107 HydrophobicContact CB-CB 3.64Å; C88-K107 WeakPolarHBondContact O-CD 3.3Å; C89-K107 HydrophobicContact CB-CD 4.29Å; C105-K107 VanDerWaalsContact C-N 3.3Å; C105-K107 PolarHBondContact O-N 2.87Å; K107-E111 PolarHBondContact O-N 3.48Å
108	Y	93.7	Very high	84	Confident	10 Å²	10	88.4 Å²	88.4	4%	0.039	46%	0.462	C	S	.	.	H	α-helix	trans	-71.8	-42.1	177.3	-169.4	-85.3	0	0	0	111.8	E23 C88 Y102 C105 K106 D110 E111 Y112 G113	E23-Y108 PolarHBondContact OE1-OH 3.31Å; E23-Y108 PolarHBondContact OE2-OH 2.76Å; E23-Y108 VanDerWaalsContact OE2-OH 3.05Å; C88-Y108 VanDerWaalsContact SG-CD2 3.6Å; Y102-Y108 HydrophobicContact CD1-CD1 4.17Å; Y102-Y108 AromaticContact CD1-CD2 3.47Å; Y102-Y108 HydrophobicContact CD1-CD2 3.47Å; Y102-Y108 VanDerWaalsContact CD1-CD2 3.47Å; Y102-Y108 HydrophobicContact CD1-CE1 4.33Å; Y102-Y108 AromaticContact CD1-CE2 3.65Å; Y102-Y108 HydrophobicContact CD1-CE2 3.65Å; Y102-Y108 AromaticContact CD1-CG 3.75Å; Y102-Y108 HydrophobicContact CD1-CG 3.75Å; Y102-Y108 HydrophobicContact CD2-CD1 4.47Å; Y102-Y108 HydrophobicContact CD2-CD2 4.44Å; Y102-Y108 AromaticContact CD2-CE1 3.88Å; Y102-Y108 HydrophobicContact CD2-CE1 3.88Å; Y102-Y108 AromaticContact CD2-CE2 3.85Å; Y102-Y108 HydrophobicContact CD2-CE2 3.85Å; Y102-Y108 AromaticContact CD2-CZ 3.54Å; Y102-Y108 AromaticContact CE1-CD2 3.64Å; Y102-Y108 HydrophobicContact CE1-CD2 3.64Å; Y102-Y108 AromaticContact CE1-CE2 3.59Å; Y102-Y108 HydrophobicContact CE1-CE2 3.59Å; Y102-Y108 HydrophobicContact CE1-CG 4.38Å; Y102-Y108 AromaticContact CE2-CE2 3.78Å; Y102-Y108 HydrophobicContact CE2-CE2 3.78Å; Y102-Y108 AromaticContact CE2-CZ 3.77Å; Y102-Y108 AromaticContact CG-CD1 3.87Å; Y102-Y108 HydrophobicContact CG-CD1 3.87Å; Y102-Y108 AromaticContact CG-CD2 3.91Å; Y102-Y108 HydrophobicContact CG-CD2 3.91Å; Y102-Y108 AromaticContact CG-CE1 3.75Å; Y102-Y108 HydrophobicContact CG-CE1 3.75Å; Y102-Y108 AromaticContact CG-CE2 3.79Å; Y102-Y108 HydrophobicContact CG-CE2 3.79Å; Y102-Y108 AromaticContact CG-CG 3.95Å; Y102-Y108 HydrophobicContact CG-CG 3.95Å; Y102-Y108 AromaticContact CG-CZ 3.71Å; Y102-Y108 AromaticContact CZ-CE2 3.64Å; C105-Y108 WeakPolarHBondContact O-CB 3.38Å; C105-Y108 PolarHBondContact O-N 2.96Å; K106-Y108 VanDerWaalsContact C-N 3.27Å; K106-Y108 PolarHBondContact O-N 3.24Å; Y108-D110 VanDerWaalsContact C-N 3.31Å; Y108-E111 PolarHBondContact O-N 3.46Å; Y108-Y112 AromaticContact CD2-CD2 3.93Å; Y108-Y112 HydrophobicContact CD2-CD2 3.93Å; Y108-Y112 AromaticContact CE2-CD2 3.83Å; Y108-Y112 HydrophobicContact CE2-CD2 3.83Å; Y108-Y112 HydrophobicContact CE2-CE2 4.45Å; Y108-Y112 HydrophobicContact CE2-CG 4.34Å; Y108-Y112 HydrophobicContact CG-CD2 4.34Å; Y108-Y112 PolarHBondContact O-N 2.81Å; Y108-G113 PolarHBondContact O-N 2.79Å
109	Q	93.4	Very high	81.6	Confident	83 Å²	83	93.1 Å²	93.1	39%	0.388	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-38.3	177.3	-67.9	-63	-41.1	0	0	111.6	Y102 C105 K106 E111 G113	Y102-Q109 PolarHBondContact O-NE2 3.49Å; C105-Q109 PolarHBondContact O-N 2.97Å; K106-Q109 PolarHBondContact O-N 3.33Å; K106-Q109 VanDerWaalsContact O-N 3.12Å; Q109-E111 VanDerWaalsContact C-N 3.34Å; Q109-E111 PolarHBondContact O-N 3.27Å; Q109-G113 WeakPolarHBondContact O-CA 3.22Å; Q109-G113 PolarHBondContact O-N 2.93Å
110	D	92.2	Very high	79.1	Confident	120 Å²	120	95.9 Å²	95.9	64%	0.642	51%	0.513	S	S	*	.	H	α-helix	trans	-67.4	-33.5	179	-61.7	-21.3	0	0	0	112.2	K106 Y108	K106-D110 PolarHBondContact O-N 3.41Å; Y108-D110 VanDerWaalsContact C-N 3.31Å
111	E	91.4	Very high	77	Confident	117 Å²	117	94.4 Å²	94.4	55%	0.547	51%	0.514	S	S	.	.	H	α-helix	trans	-93.7	-42.1	-175.2	-169.6	-176.5	166.3	0	0	113.7	C88 K107 Y108 Q109	C88-E111 PolarHBondContact SG-OE2 3.49Å; K107-E111 PolarHBondContact O-N 3.48Å; Y108-E111 PolarHBondContact O-N 3.46Å; Q109-E111 VanDerWaalsContact C-N 3.34Å; Q109-E111 PolarHBondContact O-N 3.27Å
112	Y	89.3	Confident	74.5	Confident	114 Å²	114	101.8 Å²	101.8	45%	0.447	55%	0.546	S	S	.	.	H	α-helix	trans	-120.2	-6	-173.3	-59.3	-80.5	0	0	0	113.5	Y108 V114	Y108-Y112 AromaticContact CD2-CD2 3.93Å; Y108-Y112 HydrophobicContact CD2-CD2 3.93Å; Y108-Y112 AromaticContact CE2-CD2 3.83Å; Y108-Y112 HydrophobicContact CE2-CD2 3.83Å; Y108-Y112 HydrophobicContact CE2-CE2 4.45Å; Y108-Y112 HydrophobicContact CE2-CG 4.34Å; Y108-Y112 HydrophobicContact CG-CD2 4.34Å; Y108-Y112 PolarHBondContact O-N 2.81Å; Y112-V114 PolarHBondContact O-N 2.97Å
113	G	81.3	Confident	72.4	Confident	29 Å²	29	107.9 Å²	107.9	30%	0.299	58%	0.577	S	S	.	*			trans	-65.3	110.2	180	0	0	0	0	0	110.2	Y108 Q109 S115	Y108-G113 PolarHBondContact O-N 2.79Å; Q109-G113 WeakPolarHBondContact O-CA 3.22Å; Q109-G113 PolarHBondContact O-N 2.93Å; G113-S115 VanDerWaalsContact C-N 3.34Å; G113-S115 PolarHBondContact O-N 3.4Å
114	V	69.4	Low	70.4	Confident	134 Å²	134	105.2 Å²	105.2	81%	0.812	58%	0.579	S	S	*	*			trans	-69.4	101.8	163.7	-177.5	0	0	0	0	106.1	Y112 S116	Y112-V114 PolarHBondContact O-N 2.97Å; V114-S116 PolarHBondContact O-N 3.35Å; V114-S116 VanDerWaalsContact O-N 3.09Å
115	S	57.8	Low	68.2	Low	95 Å²	95	109.8 Å²	109.8	66%	0.664	59%	0.591	S	S	*	*			trans	-56.9	118.1	169.9	-155.6	0	0	0	0	106.8	G113 V117	G113-S115 VanDerWaalsContact C-N 3.34Å; G113-S115 PolarHBondContact O-N 3.4Å; S115-V117 PolarHBondContact O-N 2.97Å
116	S	54.5	Low	65.7	Low	114 Å²	114	116.8 Å²	116.8	80%	0.797	63%	0.628	S	S	*	*			trans	-68.6	59.5	174.3	-62.7	0	0	0	0	109.9	V114 I118	V114-S116 PolarHBondContact O-N 3.35Å; V114-S116 VanDerWaalsContact O-N 3.09Å; S116-I118 VanDerWaalsContact C-N 3.28Å; S116-I118 PolarHBondContact O-N 3.13Å; S116-I118 VanDerWaalsContact O-N 3.08Å
117	V	45	Very low	63.4	Low	113 Å²	113	114 Å²	114	69%	0.685	63%	0.629	S	S	*	*			trans	-76	94.1	162.4	-175.8	0	0	0	0	104.8	S115 P119	S115-V117 PolarHBondContact O-N 2.97Å; V117-P119 WeakPolarHBondContact O-CD 3.39Å; V117-P119 VanDerWaalsContact O-N 3.14Å
118	I	50.6	Low	61.2	Low	146 Å²	146	114.2 Å²	114.2	75%	0.749	64%	0.641	S	S	*	*			trans	-55.4	116.4	163.9	-59.3	170.1	0	0	0	105.3	S116 N120	S116-I118 VanDerWaalsContact C-N 3.28Å; S116-I118 PolarHBondContact O-N 3.13Å; S116-I118 VanDerWaalsContact O-N 3.08Å; I118-N120 PolarHBondContact O-N 2.96Å
119	P	44.3	Very low	58.9	Low	99 Å²	99	125 Å²	125	64%	0.643	68%	0.681	S	S	*	*			trans	-62	116.7	169.3	-12.5	27.1	0	0	0	105.9	V117 V121	V117-P119 WeakPolarHBondContact O-CD 3.39Å; V117-P119 VanDerWaalsContact O-N 3.14Å; P119-V121 HydrophobicContact CB-CG2 4.22Å; P119-V121 PolarHBondContact O-N 2.99Å
120	N	42.9	Very low	56.6	Low	130 Å²	130	125.9 Å²	125.9	70%	0.695	70%	0.697	S	S	*	*			trans	-67.8	82.3	168.7	-175.4	7.1	0	0	0	107.2	I118 K122	I118-N120 PolarHBondContact O-N 2.96Å; N120-K122 VanDerWaalsContact C-N 3.28Å; N120-K122 PolarHBondContact O-N 3.34Å
121	V	49	Very low	54.5	Low	106 Å²	106	124.7 Å²	124.7	64%	0.642	70%	0.698	S	S	*	*			trans	-70.1	93.5	171.8	-174.7	0	0	0	0	106.1	P119 I123	P119-V121 HydrophobicContact CB-CG2 4.22Å; P119-V121 PolarHBondContact O-N 2.99Å; V121-I123 VanDerWaalsContact C-N 3.27Å; V121-I123 HydrophobicContact CG1-CG1 3.84Å; V121-I123 PolarHBondContact O-N 2.71Å
122	K	43.7	Very low	52.6	Low	171 Å²	171	125.8 Å²	125.8	74%	0.743	71%	0.707	S	S	*	*			trans	-67.6	91.2	166.5	-66.9	-176.2	179.4	-177.8	0	107.4	N120 S124	N120-K122 VanDerWaalsContact C-N 3.28Å; N120-K122 PolarHBondContact O-N 3.34Å; K122-S124 PolarHBondContact O-N 3.09Å; K122-S124 VanDerWaalsContact O-N 3.12Å
123	I	51.8	Low	50.8	Low	135 Å²	135	130.7 Å²	130.7	69%	0.692	73%	0.725	S	S	*	*			trans	-72.3	101	167.3	-60.8	175.7	0	0	0	106.2	V121 Q125	V121-I123 VanDerWaalsContact C-N 3.27Å; V121-I123 HydrophobicContact CG1-CG1 3.84Å; V121-I123 PolarHBondContact O-N 2.71Å; I123-Q125 HydrophobicContact CG2-CG 4.49Å; I123-Q125 PolarHBondContact O-N 2.91Å
124	S	49.6	Very low	49.5	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	75%	0.745	S	S	*	*			trans	-61.2	111	167.2	-62.6	0	0	0	0	108.6	K122	K122-S124 PolarHBondContact O-N 3.09Å; K122-S124 VanDerWaalsContact O-N 3.12Å
125	Q	48.3	Very low	48.2	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	75%	0.747	S	S	*	*			trans	-91.8	102.1	166.9	-76	-174	-23.1	0	0	108.5	I123 S127	I123-Q125 HydrophobicContact CG2-CG 4.49Å; I123-Q125 PolarHBondContact O-N 2.91Å; Q125-S127 PolarHBondContact O-N 2.84Å
126	D	42.6	Very low	47.6	Very low	155 Å²	155	138.1 Å²	138.1	83%	0.829	75%	0.753	S	S	*	*			trans	-71	117.2	166.5	-79.7	-46.5	0	0	0	110.2
127	S	46.2	Very low	47.1	Very low	104 Å²	104	138 Å²	138	73%	0.727	75%	0.752	S	S	*	*			trans	54	108.9	137.4	-146.5	0	0	0	0	119.4	Q125	Q125-S127 PolarHBondContact O-N 2.84Å
128	V	48.3	Very low	46.8	Very low	136 Å²	136	136.9 Å²	136.9	82%	0.824	76%	0.755	S	S	*	*				-179.5	114.4	106	-89.1	0	0	0	0	113.8
129	R	44.4	Very low	46.8	Very low	235 Å²	235	134.9 Å²	134.9	89%	0.887	75%	0.754	S	S	*	*				71.4	121.2	127	-170.4	160.2	-175.6	-175.1	3.9	122.7
130	S	46.5	Very low	46.5	Very low	102 Å²	102	136.9 Å²	136.9	71%	0.713	76%	0.759	S	S	*	*			trans	99.1	135.1	152	-48.3	0	0	0	0	116.2
131	S	48.6	Very low	46.6	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	76%	0.763	S	S	*	*			cis	179.3	144.2	-20.6	-110.3	0	0	0	0	105.8
132	N	51.1	Low	46.1	Very low	139 Å²	139	139 Å²	139	74%	0.743	77%	0.771	S	S	*	*			trans	80.9	137.9	160.4	-48.8	-27.3	0	0	0	117.1
133	R	51.9	Low	46	Very low	218 Å²	218	137.1 Å²	137.1	82%	0.823	77%	0.766	S	S	*	*			cis	-173.9	157	-3.6	-112.4	178.4	179.6	-147.3	-3.2	107.6
134	S	52.3	Low	45.1	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	77%	0.769	S	S	*	*			trans	81.3	94.6	158.6	-44.7	0	0	0	0	116.6
135	E	42.8	Very low	44.5	Very low	183 Å²	183	140.6 Å²	140.6	86%	0.855	77%	0.769	S	S	*	*				69.5	107.1	76.6	-66.1	-174.9	162.4	0	0	114
136	T	44.9	Very low	43.8	Very low	130 Å²	130	140.1 Å²	140.1	80%	0.798	77%	0.767	S	S	*	*				172.8	105.7	113.2	-60.8	0	0	0	0	110.6
137	S	44.1	Very low	43.6	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	77%	0.766	S	S	*	*			trans	31.4	119.1	130.4	-37.2	0	0	0	0	122.2
138	A	39.1	Very low	43	Very low	90 Å²	90	143.8 Å²	143.8	74%	0.744	77%	0.773	S	S	*	*				97.7	125	116.8	0	0	0	0	0	120.6
139	S	49.7	Very low	42.4	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	77%	0.772	S	S	*	*			trans	99.8	111.3	140.3	-49	0	0	0	0	118.5
140	D	38.7	Very low	42.2	Very low	141 Å²	141	138.1 Å²	138.1	75%	0.754	77%	0.769	S	S	*	*			trans	42.4	124.8	133.2	-60.7	-29.2	0	0	0	119.4
141	N	45.5	Very low	42	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	78%	0.778	S	S	*	*				-178.2	129.8	106.5	-83.7	-32.6	0	0	0	111.8
142	T	38.7	Very low	42.1	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	78%	0.778	S	S	*	*			trans	-53.5	126.8	156.2	32.4	0	0	0	0	110.9
143	E	40.6	Very low	42.6	Very low	133 Å²	133	136.8 Å²	136.8	62%	0.621	78%	0.784	S	S	*	*			trans	-138.5	114.3	162.6	-74.4	-83.1	104.5	0	0	109.8	Y145	E143-Y145 HydrophobicContact CB-CD2 4.3Å; E143-Y145 HydrophobicContact CB-CE2 3.51Å; E143-Y145 HydrophobicContact CG-CE2 4.46Å; E143-Y145 PolarHBondContact OE2-OH 2.96Å
144	T	33.9	Very low	43.3	Very low	124 Å²	124	133.1 Å²	133.1	76%	0.761	78%	0.776	S	S	*	*			trans	-58.5	133.5	158.6	-58.6	0	0	0	0	109.4
145	Y	36.4	Very low	44.7	Very low	190 Å²	190	132.4 Å²	132.4	75%	0.745	77%	0.769	S	S	*	*			trans	-126.1	109.5	164.5	-71.8	-70.8	0	0	0	111.2	E143	E143-Y145 HydrophobicContact CB-CD2 4.3Å; E143-Y145 HydrophobicContact CB-CE2 3.51Å; E143-Y145 HydrophobicContact CG-CE2 4.46Å; E143-Y145 PolarHBondContact OE2-OH 2.96Å
146	Q	34.6	Very low	47	Very low	172 Å²	172	127.9 Å²	127.9	80%	0.804	75%	0.754	S	S	*	*			trans	-71.5	164.9	154.6	-82.1	175	-35.9	0	0	110.4
147	E	36.4	Very low	49.2	Very low	175 Å²	175	125.7 Å²	125.7	82%	0.818	73%	0.734	S	S	*	*			trans	-34.4	138.5	-177.2	-62.7	166	123.3	0	0	116.7
148	D	34.2	Very low	51.4	Low	161 Å²	161	128 Å²	128	86%	0.861	73%	0.73	S	S	*	*			trans	-154.4	119.7	141.7	-91.4	-39.7	0	0	0	111.7	S150	D148-S150 PolarHBondContact O-N 2.9Å
149	T	36.3	Very low	53.9	Low	133 Å²	133	123.8 Å²	123.8	82%	0.816	70%	0.695	S	S	*	*			trans	-62.2	112.3	166.1	39.6	0	0	0	0	110.4
150	S	39.1	Very low	55.7	Low	118 Å²	118	124 Å²	124	83%	0.825	69%	0.694	S	S	*	*			trans	176.7	119.1	152.5	-80.5	0	0	0	0	113.1	D148	D148-S150 PolarHBondContact O-N 2.9Å
151	S	44	Very low	57.9	Low	127 Å²	127	120.7 Å²	120.7	89%	0.888	68%	0.676	S	S	*	*			trans	51.4	65.8	146.1	-172.4	0	0	0	0	119.8
152	S	50.3	Low	60	Low	97 Å²	97	115.9 Å²	115.9	68%	0.678	65%	0.653	S	S	*	*			trans	-95.4	117.3	159.9	65.1	0	0	0	0	110.3	H154	S152-H154 PolarHBondContact O-N 2.98Å
153	G	61.3	Low	62.2	Low	85 Å²	85	117.4 Å²	117.4	88%	0.876	65%	0.651	S	S	*	*			trans	-66.6	54.6	-172	0	0	0	0	0	116.7
154	H	66.1	Low	64.5	Low	141 Å²	141	115.7 Å²	115.7	65%	0.653	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-71.2	132.1	168.2	-86.9	-68.1	0	0	0	110.2	S152 T156	S152-H154 PolarHBondContact O-N 2.98Å; H154-T156 PolarHBondContact O-N 3.14Å
155	P	82.4	Confident	67.1	Low	86 Å²	86	112.4 Å²	112.4	56%	0.558	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-58.7	125.5	177.6	22.4	-31.5	0	0	0	109.9	F157	P155-F157 HydrophobicContact CB-CE2 4.3Å; P155-F157 HydrophobicContact CB-CZ 4.25Å; P155-F157 HydrophobicContact CG-CE2 4.36Å; P155-F157 HydrophobicContact CG-CZ 4.37Å; P155-F157 WeakPolarHBondContact O-CE2 3.38Å
156	T	90.2	Very high	69.6	Low	88 Å²	88	109.1 Å²	109.1	54%	0.54	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-94.4	142	172.5	60.2	0	0	0	0	109.8	H154 F167	H154-T156 PolarHBondContact O-N 3.14Å; T156-F167 CarbonylContact C-O 3.57Å; T156-F167 WeakPolarHBondContact CA-O 3.35Å
157	F	91.3	Very high	72.1	Confident	85 Å²	85	102.5 Å²	102.5	37%	0.373	59%	0.589	S	S	.	*	B	Isolated β-bridge	trans	-113.9	148.8	-178.8	-58.4	-90.5	0	0	0	109.6	P155 F167 R169 L172	P155-F157 HydrophobicContact CB-CE2 4.3Å; P155-F157 HydrophobicContact CB-CZ 4.25Å; P155-F157 HydrophobicContact CG-CE2 4.36Å; P155-F157 HydrophobicContact CG-CZ 4.37Å; P155-F157 WeakPolarHBondContact O-CE2 3.38Å; F157-F167 PolarHBondContact N-O 2.91Å; F157-F167 PolarHBondContact O-N 3.1Å; F157-R169 HydrophobicContact CD2-CB 4.27Å; F157-R169 HydrophobicContact CE2-CB 3.88Å; F157-L172 HydrophobicContact CB-CB 4.49Å; F157-L172 HydrophobicContact CB-CD2 3.51Å; F157-L172 HydrophobicContact CG-CD2 4.36Å
158	K	91.2	Very high	74.8	Confident	157 Å²	157	97.4 Å²	97.4	68%	0.683	57%	0.57	S	S	*	*			trans	-97.4	144.3	172.6	-61.4	-173.7	-179.2	-177.9	0	109.9	P160 E164	K158-P160 WeakPolarHBondContact O-CD 3.33Å; K158-E164 CarbonylContact C-O 3.41Å; K158-E164 WeakPolarHBondContact CA-O 3.48Å
159	C	90.4	Very high	77.4	Confident	2 Å²	2	98.9 Å²	98.9	1%	0.014	56%	0.564	C	S	.	*			trans	-70.9	123.8	171.1	-177.7	0	0	0	0	110	L161 Q163 E164 F167 L172 H175 C176 H180	C159-L161 PolarHBondContact O-N 3.46Å; C159-L161 PolarHBondContact SG-N 3.08Å; C159-L161 VanDerWaalsContact SG-N 3.41Å; C159-Q163 WeakPolarHBondContact O-CA 3.28Å; C159-Q163 PolarHBondContact O-N 3.14Å; C159-E164 PolarHBondContact N-O 3.14Å; C159-F167 HydrophobicContact CB-CE2 4.23Å; C159-L172 HydrophobicContact CB-CD1 3.8Å; C159-H175 VanDerWaalsContact SG-CD2 3.54Å; C159-H175 PolarHBondContact SG-NE2 3.37Å; C159-C176 VanDerWaalsContact SG-SG 3.68Å; C159-H180 PolarHBondContact SG-CD2 3.36Å; C159-H180 PolarHBondContact SG-NE2 3.19Å; C159-H180 VanDerWaalsContact SG-NE2 3.36Å
160	P	87.6	Confident	79.9	Confident	108 Å²	108	98 Å²	98	70%	0.701	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-13.6	178.6	27.2	-33.1	0	0	0	113.5	K158	K158-P160 WeakPolarHBondContact O-CD 3.33Å
161	L	85.4	Confident	82.3	Confident	72 Å²	72	100 Å²	100	38%	0.377	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-39	-172.5	-61.4	169.1	0	0	0	112.8	C159 H180 I184	C159-L161 PolarHBondContact O-N 3.46Å; C159-L161 PolarHBondContact SG-N 3.08Å; C159-L161 VanDerWaalsContact SG-N 3.41Å; L161-H180 HydrophobicContact CB-CB 4.15Å; L161-H180 HydrophobicContact CD1-CB 3.27Å; L161-H180 HydrophobicContact CG-CB 4.3Å; L161-I184 HydrophobicContact CD1-CG1 4.16Å
162	C	88.9	Confident	84.6	Confident	47 Å²	47	95.2 Å²	95.2	32%	0.318	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	2	175.7	67.7	0	0	0	0	115.1	E164 H175 H180	C162-E164 PolarHBondContact O-N 3.21Å; C162-E164 VanDerWaalsContact O-N 3.07Å; C162-E164 VanDerWaalsContact SG-CG 3.58Å; C162-H175 PolarHBondContact SG-CE1 2.79Å; C162-H175 PolarHBondContact SG-NE2 2.94Å; C162-H180 VanDerWaalsContact CB-CE1 3.47Å; C162-H180 WeakPolarHBondContact CB-CE1 3.36Å; C162-H180 PolarHBondContact SG-NE2 2.78Å
163	Q	86.5	Confident	86.4	Confident	164 Å²	164	94.8 Å²	94.8	77%	0.766	49%	0.494	S	S	*	.			trans	65.1	5.6	178.8	-48.4	-177.5	26.9	0	0	115.8	C159 S165	C159-Q163 WeakPolarHBondContact O-CA 3.28Å; C159-Q163 PolarHBondContact O-N 3.14Å; Q163-S165 PolarHBondContact O-N 3.45Å
164	E	87.9	Confident	87.5	Confident	98 Å²	98	93.9 Å²	93.9	46%	0.458	47%	0.469	S	S	.	.			trans	-55.7	139.4	169.4	-76.8	176.6	-141.1	0	0	110.6	K158 C159 C162 F167 H175	K158-E164 CarbonylContact C-O 3.41Å; K158-E164 WeakPolarHBondContact CA-O 3.48Å; C159-E164 PolarHBondContact N-O 3.14Å; C162-E164 PolarHBondContact O-N 3.21Å; C162-E164 VanDerWaalsContact O-N 3.07Å; C162-E164 VanDerWaalsContact SG-CG 3.58Å; E164-F167 HydrophobicContact CB-CE2 3.52Å; E164-F167 HydrophobicContact CB-CZ 3.72Å; E164-F167 VanDerWaalsContact O-CE2 3.3Å; E164-F167 WeakPolarHBondContact O-CE2 3.22Å; E164-H175 IonicContact OE1-CE1 3.61Å; E164-H175 IonicContact OE2-CE1 3.01Å; E164-H175 PolarHBondContact OE2-CE1 3.07Å; E164-H175 IonicContact OE2-ND1 3.24Å; E164-H175 PolarHBondContact OE2-ND1 3.2Å
165	S	88.9	Confident	88.6	Confident	54 Å²	54	87.8 Å²	87.8	38%	0.378	44%	0.441	S	S	.	.			trans	-120	-176.1	-170.9	66	0	0	0	0	112	Q163 F167	Q163-S165 PolarHBondContact O-N 3.45Å; S165-F167 VanDerWaalsContact C-N 3.32Å; S165-F167 PolarHBondContact O-N 3.48Å
166	N	87.6	Confident	88.9	Confident	121 Å²	121	84.6 Å²	84.6	65%	0.647	42%	0.42	S	S	*	.			trans	67.4	26.3	177.6	-55	-46.1	0	0	0	115
167	F	88.7	Confident	88.3	Confident	33 Å²	33	84 Å²	84	15%	0.145	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-89.6	134.3	173.6	-60.5	-61.8	0	0	0	111.5	T156 F157 C159 E164 S165 R171 L172 H175	T156-F167 CarbonylContact C-O 3.57Å; T156-F167 WeakPolarHBondContact CA-O 3.35Å; F157-F167 PolarHBondContact N-O 2.91Å; F157-F167 PolarHBondContact O-N 3.1Å; C159-F167 HydrophobicContact CB-CE2 4.23Å; E164-F167 HydrophobicContact CB-CE2 3.52Å; E164-F167 HydrophobicContact CB-CZ 3.72Å; E164-F167 VanDerWaalsContact O-CE2 3.3Å; E164-F167 WeakPolarHBondContact O-CE2 3.22Å; S165-F167 VanDerWaalsContact C-N 3.32Å; S165-F167 PolarHBondContact O-N 3.48Å; F167-R171 HydrophobicContact CB-CB 4.22Å; F167-R171 HydrophobicContact CD1-CB 4.04Å; F167-L172 HydrophobicContact CB-CB 3.69Å; F167-L172 HydrophobicContact CD2-CB 4.48Å; F167-L172 HydrophobicContact CD2-CD1 3.92Å; F167-L172 HydrophobicContact CG-CB 4.27Å; F167-H175 HydrophobicContact CD1-CB 4.44Å; F167-H175 HydrophobicContact CE1-CB 4.02Å; F167-H175 HydrophobicContact CE2-CB 4.42Å; F167-H175 AromaticContact CE2-CG 3.91Å; F167-H175 AromaticContact CE2-ND1 3.99Å; F167-H175 HydrophobicContact CZ-CB 4.02Å; F167-H175 AromaticContact CZ-CE1 3.94Å; F167-H175 AromaticContact CZ-CG 3.59Å; F167-H175 AromaticContact CZ-ND1 3.37Å; F167-H175 WeakPolarHBondContact CZ-ND1 3.43Å
168	T	91.5	Very high	87.9	Confident	68 Å²	68	83.6 Å²	83.6	42%	0.417	42%	0.421	S	S	.	.			trans	-65.6	160.2	155.4	63.7	0	0	0	0	109.4	Q170 R171 L172	T168-Q170 PolarHBondContact O-N 3.08Å; T168-Q170 VanDerWaalsContact O-N 3.14Å; T168-R171 PolarHBondContact O-N 2.79Å; T168-R171 VanDerWaalsContact OG1-CG 3.3Å; T168-R171 WeakPolarHBondContact OG1-CG 3.3Å; T168-R171 PolarHBondContact OG1-N 2.96Å; T168-L172 PolarHBondContact O-N 2.7Å
169	R	89.6	Confident	87.4	Confident	192 Å²	192	80.5 Å²	80.5	73%	0.725	41%	0.412	S	S	*	.	H	α-helix	trans	-48.3	-45.9	178.5	-177.5	179.5	178.8	172.5	1.8	112.8	F157 L172 L173	F157-R169 HydrophobicContact CD2-CB 4.27Å; F157-R169 HydrophobicContact CE2-CB 3.88Å; R169-L172 PolarHBondContact O-N 2.99Å; R169-L173 WeakPolarHBondContact O-CG 3.27Å; R169-L173 PolarHBondContact O-N 3.03Å
170	Q	88.1	Confident	87.1	Confident	114 Å²	114	81 Å²	81	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-66.8	-40.5	179.8	-173.8	57.5	49.3	0	0	112.1	T168 L173 D174	T168-Q170 PolarHBondContact O-N 3.08Å; T168-Q170 VanDerWaalsContact O-N 3.14Å; Q170-L173 PolarHBondContact O-N 3.37Å; Q170-D174 PolarHBondContact NE2-OD1 2.92Å; Q170-D174 PolarHBondContact O-N 3.41Å
171	R	90.7	Very high	86.1	Confident	161 Å²	161	76.7 Å²	76.7	61%	0.608	39%	0.385	S	S	*	.	H	α-helix	trans	-69.2	-34.6	178.7	-69	-66.5	179.8	178.9	0.9	112.5	F167 T168 D174 H175	F167-R171 HydrophobicContact CB-CB 4.22Å; F167-R171 HydrophobicContact CD1-CB 4.04Å; T168-R171 PolarHBondContact O-N 2.79Å; T168-R171 VanDerWaalsContact OG1-CG 3.3Å; T168-R171 WeakPolarHBondContact OG1-CG 3.3Å; T168-R171 PolarHBondContact OG1-N 2.96Å; R171-D174 PolarHBondContact O-N 3.48Å; R171-H175 VanDerWaalsContact O-CB 3.25Å; R171-H175 WeakPolarHBondContact O-CB 3.43Å; R171-H175 PolarHBondContact O-N 3.03Å
172	L	91.9	Very high	85	Confident	27 Å²	27	78.8 Å²	78.8	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-63.8	-44.4	175.4	175.9	57.1	0	0	0	110.5	F157 C159 F167 T168 R169 D174 H175 C176	F157-L172 HydrophobicContact CB-CB 4.49Å; F157-L172 HydrophobicContact CB-CD2 3.51Å; F157-L172 HydrophobicContact CG-CD2 4.36Å; C159-L172 HydrophobicContact CB-CD1 3.8Å; F167-L172 HydrophobicContact CB-CB 3.69Å; F167-L172 HydrophobicContact CD2-CB 4.48Å; F167-L172 HydrophobicContact CD2-CD1 3.92Å; F167-L172 HydrophobicContact CG-CB 4.27Å; T168-L172 PolarHBondContact O-N 2.7Å; R169-L172 PolarHBondContact O-N 2.99Å; L172-D174 PolarHBondContact O-N 3.06Å; L172-H175 PolarHBondContact O-N 3.05Å; L172-C176 WeakPolarHBondContact O-CB 3.35Å; L172-C176 PolarHBondContact O-N 2.86Å; L172-C176 PolarHBondContact O-SG 2.86Å; L172-C176 VanDerWaalsContact O-SG 3.33Å
173	L	88.6	Confident	83.7	Confident	88 Å²	88	82 Å²	82	46%	0.461	40%	0.402	S	S	.	.	H	α-helix	trans	-60.7	-45.6	175.6	-69.9	173.2	0	0	0	111.5	R169 Q170 H175 C176 N177	R169-L173 WeakPolarHBondContact O-CG 3.27Å; R169-L173 PolarHBondContact O-N 3.03Å; Q170-L173 PolarHBondContact O-N 3.37Å; L173-H175 VanDerWaalsContact C-N 3.35Å; L173-C176 PolarHBondContact O-N 3.34Å; L173-N177 VanDerWaalsContact O-CB 3.22Å; L173-N177 WeakPolarHBondContact O-CB 3.41Å; L173-N177 PolarHBondContact O-N 3.39Å; L173-N177 PolarHBondContact O-ND2 2.82Å
174	D	84.3	Confident	82.6	Confident	65 Å²	65	78 Å²	78	35%	0.348	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-39.3	177.9	-67.9	-21.6	0	0	0	111.8	Q170 R171 L172 S178	Q170-D174 PolarHBondContact NE2-OD1 2.92Å; Q170-D174 PolarHBondContact O-N 3.41Å; R171-D174 PolarHBondContact O-N 3.48Å; L172-D174 PolarHBondContact O-N 3.06Å; D174-S178 VanDerWaalsContact O-CB 3.28Å; D174-S178 WeakPolarHBondContact O-CB 3.36Å; D174-S178 PolarHBondContact O-N 3.14Å; D174-S178 PolarHBondContact O-OG 3.1Å
175	H	88.9	Confident	81.1	Confident	14 Å²	14	79.1 Å²	79.1	7%	0.065	40%	0.398	C	S	.	.	H	α-helix	trans	-61.6	-53.8	174.4	166.6	92.9	0	0	0	111	C159 C162 E164 F167 R171 L172 L173 N177 S178 N179 H180	C159-H175 VanDerWaalsContact SG-CD2 3.54Å; C159-H175 PolarHBondContact SG-NE2 3.37Å; C162-H175 PolarHBondContact SG-CE1 2.79Å; C162-H175 PolarHBondContact SG-NE2 2.94Å; E164-H175 IonicContact OE1-CE1 3.61Å; E164-H175 IonicContact OE2-CE1 3.01Å; E164-H175 PolarHBondContact OE2-CE1 3.07Å; E164-H175 IonicContact OE2-ND1 3.24Å; E164-H175 PolarHBondContact OE2-ND1 3.2Å; F167-H175 HydrophobicContact CD1-CB 4.44Å; F167-H175 HydrophobicContact CE1-CB 4.02Å; F167-H175 HydrophobicContact CE2-CB 4.42Å; F167-H175 AromaticContact CE2-CG 3.91Å; F167-H175 AromaticContact CE2-ND1 3.99Å; F167-H175 HydrophobicContact CZ-CB 4.02Å; F167-H175 AromaticContact CZ-CE1 3.94Å; F167-H175 AromaticContact CZ-CG 3.59Å; F167-H175 AromaticContact CZ-ND1 3.37Å; F167-H175 WeakPolarHBondContact CZ-ND1 3.43Å; R171-H175 VanDerWaalsContact O-CB 3.25Å; R171-H175 WeakPolarHBondContact O-CB 3.43Å; R171-H175 PolarHBondContact O-N 3.03Å; L172-H175 PolarHBondContact O-N 3.05Å; L173-H175 VanDerWaalsContact C-N 3.35Å; H175-N177 VanDerWaalsContact C-N 3.29Å; H175-N177 PolarHBondContact O-N 3.25Å; H175-S178 PolarHBondContact O-N 3.07Å; H175-N179 PolarHBondContact CE1-ND2 3.23Å; H175-N179 PolarHBondContact ND1-ND2 3.2Å; H175-N179 WeakPolarHBondContact O-CB 3.01Å; H175-N179 PolarHBondContact O-N 3.01Å; H175-N179 PolarHBondContact O-ND2 3.2Å; H175-H180 AromaticContact CD2-CD2 3.9Å; H175-H180 AromaticContact CD2-NE2 3.83Å; H175-H180 AromaticContact CE1-NE2 3.8Å; H175-H180 AromaticContact NE2-CD2 3.48Å; H175-H180 PolarHBondContact NE2-CD2 3.34Å; H175-H180 AromaticContact NE2-NE2 2.95Å; H175-H180 PolarHBondContact NE2-NE2 2.94Å
176	C	87.7	Confident	79.6	Confident	19 Å²	19	81.1 Å²	81.1	13%	0.128	41%	0.41	C	S	.	.	H	α-helix	trans	-59.1	-42.9	178.8	-69	0	0	0	0	111.4	C159 L172 L173 S178 H180 L181	C159-C176 VanDerWaalsContact SG-SG 3.68Å; L172-C176 WeakPolarHBondContact O-CB 3.35Å; L172-C176 PolarHBondContact O-N 2.86Å; L172-C176 PolarHBondContact O-SG 2.86Å; L172-C176 VanDerWaalsContact O-SG 3.33Å; L173-C176 PolarHBondContact O-N 3.34Å; C176-S178 PolarHBondContact O-N 3.23Å; C176-H180 CarbonylContact O-C 3.49Å; C176-H180 WeakPolarHBondContact O-CA 3.41Å; C176-H180 PolarHBondContact O-N 3.08Å; C176-L181 PolarHBondContact O-N 2.86Å
177	N	79.7	Confident	78.2	Confident	76 Å²	76	80.3 Å²	80.3	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-71.2	-11.1	176.7	-70.2	-33.6	0	0	0	113.9	L173 H175 L181	L173-N177 VanDerWaalsContact O-CB 3.22Å; L173-N177 WeakPolarHBondContact O-CB 3.41Å; L173-N177 PolarHBondContact O-N 3.39Å; L173-N177 PolarHBondContact O-ND2 2.82Å; H175-N177 VanDerWaalsContact C-N 3.29Å; H175-N177 PolarHBondContact O-N 3.25Å; N177-L181 WeakPolarHBondContact O-CD1 3.29Å; N177-L181 WeakPolarHBondContact O-CG 3.49Å
178	S	81	Confident	76.7	Confident	76 Å²	76	82.5 Å²	82.5	53%	0.531	42%	0.422	S	S	.	.	H	α-helix	trans	-103.7	-36.4	179.5	-59.9	0	0	0	0	111.8	D174 H175 C176	D174-S178 VanDerWaalsContact O-CB 3.28Å; D174-S178 WeakPolarHBondContact O-CB 3.36Å; D174-S178 PolarHBondContact O-N 3.14Å; D174-S178 PolarHBondContact O-OG 3.1Å; H175-S178 PolarHBondContact O-N 3.07Å; C176-S178 PolarHBondContact O-N 3.23Å
179	N	81.5	Confident	75.2	Confident	92 Å²	92	85.2 Å²	85.2	49%	0.492	43%	0.434	S	S	.	.	H	α-helix	trans	-107.2	-29	-169.2	-58.9	-45.7	0	0	0	113.1	H175	H175-N179 PolarHBondContact CE1-ND2 3.23Å; H175-N179 PolarHBondContact ND1-ND2 3.2Å; H175-N179 WeakPolarHBondContact O-CB 3.01Å; H175-N179 PolarHBondContact O-N 3.01Å; H175-N179 PolarHBondContact O-ND2 3.2Å
180	H	83.3	Confident	73.8	Confident	13 Å²	13	81.3 Å²	81.3	6%	0.06	42%	0.423	C	S	.	.			trans	-119.7	12.6	-169.8	-53.6	-50.6	0	0	0	114.8	C159 L161 C162 H175 C176 F182 Q183 I184	C159-H180 PolarHBondContact SG-CD2 3.36Å; C159-H180 PolarHBondContact SG-NE2 3.19Å; C159-H180 VanDerWaalsContact SG-NE2 3.36Å; L161-H180 HydrophobicContact CB-CB 4.15Å; L161-H180 HydrophobicContact CD1-CB 3.27Å; L161-H180 HydrophobicContact CG-CB 4.3Å; C162-H180 VanDerWaalsContact CB-CE1 3.47Å; C162-H180 WeakPolarHBondContact CB-CE1 3.36Å; C162-H180 PolarHBondContact SG-NE2 2.78Å; H175-H180 AromaticContact CD2-CD2 3.9Å; H175-H180 AromaticContact CD2-NE2 3.83Å; H175-H180 AromaticContact CE1-NE2 3.8Å; H175-H180 AromaticContact NE2-CD2 3.48Å; H175-H180 PolarHBondContact NE2-CD2 3.34Å; H175-H180 AromaticContact NE2-NE2 2.95Å; H175-H180 PolarHBondContact NE2-NE2 2.94Å; C176-H180 CarbonylContact O-C 3.49Å; C176-H180 WeakPolarHBondContact O-CA 3.41Å; C176-H180 PolarHBondContact O-N 3.08Å; H180-F182 PolarHBondContact O-N 3.11Å; H180-Q183 PolarHBondContact O-N 3.45Å; H180-I184 WeakPolarHBondContact O-CG1 3.3Å; H180-I184 PolarHBondContact O-N 3.44Å
181	L	67.8	Low	72.4	Confident	16 Å²	16	80.5 Å²	80.5	8%	0.084	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-22.9	-177.7	-89.2	169.2	0	0	0	115	R71 C176 N177	R71-L181 PolarHBondContact NH1-O 3.08Å; R71-L181 VanDerWaalsContact NH2-CD2 3.32Å; C176-L181 PolarHBondContact O-N 2.86Å; N177-L181 WeakPolarHBondContact O-CD1 3.29Å; N177-L181 WeakPolarHBondContact O-CG 3.49Å
182	F	61.9	Low	71.3	Confident	116 Å²	116	76 Å²	76	51%	0.509	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-13	179.7	-55.5	-75.7	0	0	0	113.6	I73 N77 H180	I73-F182 HydrophobicContact CG2-CD1 4.08Å; I73-F182 HydrophobicContact CG2-CE1 3.63Å; N77-F182 VanDerWaalsContact OD1-CE1 3.3Å; N77-F182 WeakPolarHBondContact OD1-CE1 3.31Å; N77-F182 WeakPolarHBondContact OD1-CZ 3.19Å; H180-F182 PolarHBondContact O-N 3.11Å
183	Q	61.3	Low	70.5	Confident	115 Å²	115	81.2 Å²	81.2	54%	0.537	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.6	177.7	-64.2	178.3	11.3	0	0	112.1	H180 V185	H180-Q183 PolarHBondContact O-N 3.45Å; Q183-V185 PolarHBondContact O-N 3.43Å; Q183-V185 VanDerWaalsContact O-N 3.14Å
184	I	62.9	Low	70	Confident	81 Å²	81	83.4 Å²	83.4	42%	0.415	44%	0.442	S	S	.	.			trans	-78.8	98.7	176.2	-58.3	164.9	0	0	0	108.1	L161 H180	L161-I184 HydrophobicContact CD1-CG1 4.16Å; H180-I184 WeakPolarHBondContact O-CG1 3.3Å; H180-I184 PolarHBondContact O-N 3.44Å
185	V	57.5	Low	69.7	Low	120 Å²	120	84.1 Å²	84.1	73%	0.727	45%	0.449	S	S	*	.			trans	-67.8	127.8	166	-176.8	0	0	0	0	107.7	Q183 V187	Q183-V185 PolarHBondContact O-N 3.43Å; Q183-V185 VanDerWaalsContact O-N 3.14Å; V185-V187 PolarHBondContact O-N 2.97Å
186	P	57.7	Low	69.3	Low	96 Å²	96	89.8 Å²	89.8	62%	0.623	48%	0.475	S	S	*	.			trans	-61.3	123	174.9	22.3	-28.8	0	0	0	109.3	N188	P186-N188 PolarHBondContact O-N 2.8Å
187	V	57.2	Low	69.1	Low	105 Å²	105	96.8 Å²	96.8	64%	0.636	50%	0.5	S	S	*	.			trans	-64.7	108.4	169.4	-179.3	0	0	0	0	106.9	V185 L189 D192	V185-V187 PolarHBondContact O-N 2.97Å; V187-L189 HydrophobicContact CG1-CD2 4.3Å; V187-L189 HydrophobicContact CG1-CG 4.29Å; V187-L189 PolarHBondContact O-N 3.5Å; V187-D192 WeakPolarHBondContact CG1-OD2 3.49Å
188	N	56.9	Low	69.1	Low	78 Å²	78	97.9 Å²	97.9	42%	0.417	50%	0.503	S	S	.	.			trans	-90.4	83.8	178	-166.6	-20	0	0	0	108.4	P186 Q190 L191 D192	P186-N188 PolarHBondContact O-N 2.8Å; N188-Q190 PolarHBondContact O-N 3.49Å; N188-Q190 PolarHBondContact OD1-N 2.61Å; N188-L191 HydrophobicContact CB-CB 4.06Å; N188-L191 WeakPolarHBondContact ND2-CD1 3.49Å; N188-L191 WeakPolarHBondContact O-CA 3.48Å; N188-L191 WeakPolarHBondContact O-CB 3.33Å; N188-L191 PolarHBondContact O-N 3.25Å; N188-L191 PolarHBondContact OD1-N 2.91Å; N188-D192 PolarHBondContact O-N 3.27Å
189	L	61.1	Low	69.2	Low	126 Å²	126	97 Å²	97	66%	0.66	49%	0.494	S	S	*	.	H	α-helix	trans	-51.5	-30.9	-178.9	-72	160.7	0	0	0	113	V187 D192 E193	V187-L189 HydrophobicContact CG1-CD2 4.3Å; V187-L189 HydrophobicContact CG1-CG 4.29Å; V187-L189 PolarHBondContact O-N 3.5Å; L189-D192 PolarHBondContact O-N 2.87Å; L189-E193 WeakPolarHBondContact O-CG 3.12Å; L189-E193 PolarHBondContact O-N 2.93Å
190	Q	60	Low	69.4	Low	109 Å²	109	94.7 Å²	94.7	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-74.1	-37.3	177.7	-62.6	-166.3	-75.2	0	0	112.4	N188 D192 E193 E194	N188-Q190 PolarHBondContact O-N 3.49Å; N188-Q190 PolarHBondContact OD1-N 2.61Å; Q190-D192 VanDerWaalsContact C-N 3.3Å; Q190-E193 PolarHBondContact O-N 3.03Å; Q190-E194 WeakPolarHBondContact O-CB 3.48Å; Q190-E194 PolarHBondContact O-N 2.91Å
191	L	59.6	Low	69.5	Low	98 Å²	98	96.8 Å²	96.8	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-38	171.3	-110.4	87	0	0	0	110.3	N188 E194 T195	N188-L191 HydrophobicContact CB-CB 4.06Å; N188-L191 WeakPolarHBondContact ND2-CD1 3.49Å; N188-L191 WeakPolarHBondContact O-CA 3.48Å; N188-L191 WeakPolarHBondContact O-CB 3.33Å; N188-L191 PolarHBondContact O-N 3.25Å; N188-L191 PolarHBondContact OD1-N 2.91Å; L191-E194 PolarHBondContact O-N 3.36Å; L191-T195 WeakPolarHBondContact O-CB 3.47Å; L191-T195 PolarHBondContact O-N 2.94Å; L191-T195 PolarHBondContact O-OG1 3.12Å
192	D	65.9	Low	70.3	Confident	67 Å²	67	101.1 Å²	101.1	36%	0.358	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-40.6	177.7	-62.8	-37.6	0	0	0	111.3	V187 N188 L189 Q190 Q196	V187-D192 WeakPolarHBondContact CG1-OD2 3.49Å; N188-D192 PolarHBondContact O-N 3.27Å; L189-D192 PolarHBondContact O-N 2.87Å; Q190-D192 VanDerWaalsContact C-N 3.3Å; D192-Q196 WeakPolarHBondContact O-CB 3.1Å; D192-Q196 WeakPolarHBondContact O-CG 3.18Å; D192-Q196 PolarHBondContact O-N 2.93Å; D192-Q196 PolarHBondContact O-NE2 3.01Å
193	E	76	Confident	71.3	Confident	135 Å²	135	101.1 Å²	101.1	63%	0.631	52%	0.523	S	S	*	.	H	α-helix	trans	-66.6	-45.1	174.1	-80	-178.2	138.4	0	0	112.4	L189 Q190 Q196 Y197	L189-E193 WeakPolarHBondContact O-CG 3.12Å; L189-E193 PolarHBondContact O-N 2.93Å; Q190-E193 PolarHBondContact O-N 3.03Å; E193-Q196 PolarHBondContact O-N 3.41Å; E193-Y197 WeakPolarHBondContact O-CB 3.36Å; E193-Y197 PolarHBondContact O-N 3.44Å
194	E	77.7	Confident	72.2	Confident	134 Å²	134	99 Å²	99	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-66.3	-40.8	178.1	-172.3	172.1	-173.9	0	0	111.3	Q190 L191 Y197 Q198	Q190-E194 WeakPolarHBondContact O-CB 3.48Å; Q190-E194 PolarHBondContact O-N 2.91Å; L191-E194 PolarHBondContact O-N 3.36Å; E194-Y197 PolarHBondContact O-N 2.85Å; E194-Q198 WeakPolarHBondContact O-CB 3.34Å; E194-Q198 PolarHBondContact O-N 3.38Å
195	T	78.4	Confident	72.9	Confident	80 Å²	80	102.6 Å²	102.6	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-45.8	174.6	-54.8	0	0	0	0	110.6	L191 Y197 Q198 T199	L191-T195 WeakPolarHBondContact O-CB 3.47Å; L191-T195 PolarHBondContact O-N 2.94Å; L191-T195 PolarHBondContact O-OG1 3.12Å; T195-Y197 VanDerWaalsContact C-N 3.32Å; T195-Y197 PolarHBondContact O-N 3.43Å; T195-Q198 PolarHBondContact O-N 3.24Å; T195-T199 WeakPolarHBondContact O-CB 3.45Å; T195-T199 PolarHBondContact O-N 3.37Å; T195-T199 PolarHBondContact O-OG1 2.84Å
196	Q	79.5	Confident	73.5	Confident	133 Å²	133	104 Å²	104	62%	0.621	53%	0.532	S	S	*	.	H	α-helix	trans	-61.5	-39.9	175.9	-78.6	170.1	42.9	0	0	111.9	D192 E193 A200	D192-Q196 WeakPolarHBondContact O-CB 3.1Å; D192-Q196 WeakPolarHBondContact O-CG 3.18Å; D192-Q196 PolarHBondContact O-N 2.93Å; D192-Q196 PolarHBondContact O-NE2 3.01Å; E193-Q196 PolarHBondContact O-N 3.41Å; Q196-A200 VanDerWaalsContact O-CB 3.3Å; Q196-A200 WeakPolarHBondContact O-CB 3.3Å; Q196-A200 PolarHBondContact O-N 2.85Å
197	Y	84.4	Confident	74	Confident	166 Å²	166	105.1 Å²	105.1	65%	0.651	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-45.7	175.5	-172.9	-94.7	0	0	0	111.2	E193 E194 T195 A200 V201	E193-Y197 WeakPolarHBondContact O-CB 3.36Å; E193-Y197 PolarHBondContact O-N 3.44Å; E194-Y197 PolarHBondContact O-N 2.85Å; T195-Y197 VanDerWaalsContact C-N 3.32Å; T195-Y197 PolarHBondContact O-N 3.43Å; Y197-A200 PolarHBondContact O-N 3.46Å; Y197-V201 HydrophobicContact CD1-CG2 4.07Å; Y197-V201 HydrophobicContact CE1-CG2 3.73Å; Y197-V201 WeakPolarHBondContact O-CG2 3.33Å; Y197-V201 PolarHBondContact O-N 2.85Å
198	Q	80.5	Confident	74.1	Confident	100 Å²	100	106.7 Å²	106.7	47%	0.467	54%	0.542	S	S	.	.	H	α-helix	trans	-63.3	-44.9	178.7	-161.5	69.1	21.9	0	0	111.6	E194 T195 A200 V201 E202	E194-Q198 WeakPolarHBondContact O-CB 3.34Å; E194-Q198 PolarHBondContact O-N 3.38Å; T195-Q198 PolarHBondContact O-N 3.24Å; Q198-A200 VanDerWaalsContact C-N 3.35Å; Q198-A200 PolarHBondContact O-N 3.11Å; Q198-V201 PolarHBondContact O-N 3.24Å; Q198-E202 WeakPolarHBondContact O-CG 3.44Å; Q198-E202 PolarHBondContact O-N 2.96Å
199	T	82.6	Confident	73.8	Confident	57 Å²	57	113.2 Å²	113.2	35%	0.35	57%	0.572	S	S	.	*	H	α-helix	trans	-58.7	-45.1	173.1	-59.5	0	0	0	0	111.2	T195 V201 E202 E203	T195-T199 WeakPolarHBondContact O-CB 3.45Å; T195-T199 PolarHBondContact O-N 3.37Å; T195-T199 PolarHBondContact O-OG1 2.84Å; T199-V201 VanDerWaalsContact C-N 3.32Å; T199-V201 PolarHBondContact O-N 3.18Å; T199-E202 PolarHBondContact O-N 2.95Å; T199-E203 HydrophobicContact CG2-CG 4.21Å; T199-E203 WeakPolarHBondContact O-CB 3.43Å; T199-E203 WeakPolarHBondContact O-CG 3.4Å; T199-E203 PolarHBondContact O-N 3.25Å
200	A	84.9	Confident	74.5	Confident	43 Å²	43	112.6 Å²	112.6	36%	0.355	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-36.2	178.2	0	0	0	0	0	112.8	Q196 Y197 Q198 S204	Q196-A200 VanDerWaalsContact O-CB 3.3Å; Q196-A200 WeakPolarHBondContact O-CB 3.3Å; Q196-A200 PolarHBondContact O-N 2.85Å; Y197-A200 PolarHBondContact O-N 3.46Å; Q198-A200 VanDerWaalsContact C-N 3.35Å; Q198-A200 PolarHBondContact O-N 3.11Å; A200-S204 VanDerWaalsContact O-CB 3.29Å; A200-S204 WeakPolarHBondContact O-CB 3.34Å; A200-S204 PolarHBondContact O-N 3.13Å; A200-S204 PolarHBondContact O-OG 3.3Å
201	V	86.4	Confident	75.2	Confident	58 Å²	58	112.7 Å²	112.7	35%	0.352	57%	0.571	S	S	.	*	H	α-helix	trans	-67.6	-43.3	174.8	172.5	0	0	0	0	111.1	Y197 Q198 T199 S204 F205	Y197-V201 HydrophobicContact CD1-CG2 4.07Å; Y197-V201 HydrophobicContact CE1-CG2 3.73Å; Y197-V201 WeakPolarHBondContact O-CG2 3.33Å; Y197-V201 PolarHBondContact O-N 2.85Å; Q198-V201 PolarHBondContact O-N 3.24Å; T199-V201 VanDerWaalsContact C-N 3.32Å; T199-V201 PolarHBondContact O-N 3.18Å; V201-S204 PolarHBondContact O-N 3.39Å; V201-F205 PolarHBondContact O-N 3Å; V201-F205 VanDerWaalsContact O-N 3.11Å
202	E	84.2	Confident	76.1	Confident	106 Å²	106	113.6 Å²	113.6	50%	0.495	57%	0.574	S	S	.	*	H	α-helix	trans	-66.1	-44.3	177.9	-73.3	175.5	-176.1	0	0	112.3	Q198 T199 S204 F205 Q206	Q198-E202 WeakPolarHBondContact O-CG 3.44Å; Q198-E202 PolarHBondContact O-N 2.96Å; T199-E202 PolarHBondContact O-N 2.95Å; E202-S204 VanDerWaalsContact C-N 3.32Å; E202-S204 PolarHBondContact O-N 2.69Å; E202-F205 WeakPolarHBondContact O-CB 3.29Å; E202-F205 PolarHBondContact O-N 3.25Å; E202-F205 VanDerWaalsContact O-N 3.13Å; E202-Q206 PolarHBondContact O-N 3.47Å; E202-Q206 VanDerWaalsContact O-N 3.15Å
203	E	83.9	Confident	76.7	Confident	117 Å²	117	116.3 Å²	116.3	55%	0.547	59%	0.587	S	S	.	*	H	α-helix	trans	-61.6	-41	174.4	-73.4	179.5	168.8	0	0	110.9	T199 F205 Q206 V207	T199-E203 HydrophobicContact CG2-CG 4.21Å; T199-E203 WeakPolarHBondContact O-CB 3.43Å; T199-E203 WeakPolarHBondContact O-CG 3.4Å; T199-E203 PolarHBondContact O-N 3.25Å; E203-F205 PolarHBondContact O-N 3.15Å; E203-Q206 PolarHBondContact O-N 3.47Å; E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 3.41Å
204	S	79.5	Confident	76.8	Confident	69 Å²	69	115.1 Å²	115.1	48%	0.483	58%	0.584	S	S	.	*	H	α-helix	trans	-64.5	-27.3	175.7	-61.3	0	0	0	0	113.2	A200 V201 E202 N208	A200-S204 VanDerWaalsContact O-CB 3.29Å; A200-S204 WeakPolarHBondContact O-CB 3.34Å; A200-S204 PolarHBondContact O-N 3.13Å; A200-S204 PolarHBondContact O-OG 3.3Å; V201-S204 PolarHBondContact O-N 3.39Å; E202-S204 VanDerWaalsContact C-N 3.32Å; E202-S204 PolarHBondContact O-N 2.69Å; S204-N208 PolarHBondContact O-ND2 3.09Å; S204-N208 VanDerWaalsContact O-ND2 3.09Å
205	F	77.1	Confident	76.7	Confident	158 Å²	158	113.9 Å²	113.9	69%	0.693	58%	0.581	S	S	*	*	H	α-helix	trans	-76.8	-34.2	176.6	-130.4	-93	0	0	0	112.1	V201 E202 E203 N208	V201-F205 PolarHBondContact O-N 3Å; V201-F205 VanDerWaalsContact O-N 3.11Å; E202-F205 WeakPolarHBondContact O-CB 3.29Å; E202-F205 PolarHBondContact O-N 3.25Å; E202-F205 VanDerWaalsContact O-N 3.13Å; E203-F205 PolarHBondContact O-N 3.15Å; F205-N208 PolarHBondContact O-N 3.23Å
206	Q	71	Confident	76.6	Confident	149 Å²	149	116.3 Å²	116.3	70%	0.696	59%	0.588	S	S	*	*	H	α-helix	trans	-75.4	-23.9	179	-76.9	170.2	10.1	0	0	113.7	E202 E203 N208	E202-Q206 PolarHBondContact O-N 3.47Å; E202-Q206 VanDerWaalsContact O-N 3.15Å; E203-Q206 PolarHBondContact O-N 3.47Å; Q206-N208 VanDerWaalsContact C-N 3.31Å
207	V	67.9	Low	76.4	Confident	120 Å²	120	115 Å²	115	73%	0.727	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-11.8	176.8	-174.2	0	0	0	0	112.1	E203	E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 3.41Å
208	N	58.3	Low	75.7	Confident	138 Å²	138	110.8 Å²	110.8	74%	0.738	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	16.2	-178.3	-74.6	-36	0	0	0	114.3	S204 F205 Q206	S204-N208 PolarHBondContact O-ND2 3.09Å; S204-N208 VanDerWaalsContact O-ND2 3.09Å; F205-N208 PolarHBondContact O-N 3.23Å; Q206-N208 VanDerWaalsContact C-N 3.31Å
209	M	52	Low	75.2	Confident	214 Å²	214	111.7 Å²	111.7	100%	1.054	59%	0.59	S	S	*	*			trans	-118.9	0	171.1	-83	-98.2	57.8	0	0	110.7

Retrieved 209 of 209 residues in 531.8 ms (Link to these results)

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