A0A5K4F9R9_SCHMA Loading...

Ras-related protein Rab-25

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB25 regulates epithelial cell differentiation, proliferation and survival, thereby playing key roles in tumorigenesis. Promotes invasive migration of cells in which it functions to localize and maintain integrin alpha-V/beta-1 at the tips of extending pseudopodia. Involved in the regulation of epithelial morphogenesis through the control of CLDN4 expression and localization at tight junctions. May selectively regulate the apical recycling pathway. Together with MYO5B regulates transcytosis.

AlphaFold DB (A0A5K4FB86), UniProt , Accession A0A5K4F9R9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 218 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	49.3	Very low	230 Å²	230	133.5 Å²	133.5	100%	1.133	77%	0.765	S	S	*	*				0	121.5	0	-72	-158.9	-123.8	0	0	108
2	Y	38.4	Very low	52.5	Low	238 Å²	238	135.8 Å²	135.8	93%	0.933	76%	0.764	S	S	*	*			trans	-169.8	102.1	134.4	-85.5	-62.5	0	0	0	105.3	G4	Y2-G4 PolarHBondContact O-N 3.34Å
3	G	37.5	Very low	55.7	Low	82 Å²	82	133.2 Å²	133.2	85%	0.845	74%	0.736	S	S	*	*			trans	-68.3	112.1	170.7	0	0	0	0	0	108.1	S5	G3-S5 PolarHBondContact O-N 3.26Å
4	G	42.7	Very low	58.6	Low	70 Å²	70	129.1 Å²	129.1	72%	0.722	71%	0.712	S	S	*	*			trans	-69	116.8	162.3	0	0	0	0	0	107.2	Y2 M6	Y2-G4 PolarHBondContact O-N 3.34Å; G4-M6 PolarHBondContact O-N 3.25Å; G4-M6 VanDerWaalsContact O-N 3.1Å
5	S	47.6	Very low	61.1	Low	109 Å²	109	124.5 Å²	124.5	76%	0.762	68%	0.681	S	S	*	*			trans	-45.7	116.7	167.3	47.7	0	0	0	0	109.3	G3 S7	G3-S5 PolarHBondContact O-N 3.26Å; S5-S7 PolarHBondContact O-N 2.8Å
6	M	44.7	Very low	63.3	Low	187 Å²	187	119.6 Å²	119.6	92%	0.921	65%	0.653	S	S	*	*			trans	-65.5	86.4	162.6	-72.6	170.6	70.6	0	0	106.5	G4 G8	G4-M6 PolarHBondContact O-N 3.25Å; G4-M6 VanDerWaalsContact O-N 3.1Å; M6-G8 PolarHBondContact O-N 2.95Å; M6-G8 VanDerWaalsContact O-N 3.07Å
7	S	50.3	Low	65.3	Low	89 Å²	89	113.1 Å²	113.1	62%	0.622	62%	0.617	S	S	*	*			trans	-57.1	114.1	155.4	52.5	0	0	0	0	104.8	S5 K9	S5-S7 PolarHBondContact O-N 2.8Å; S7-K9 PolarHBondContact O-N 2.9Å
8	G	55.2	Low	67	Low	39 Å²	39	107.9 Å²	107.9	40%	0.402	59%	0.587	S	S	.	*			trans	-52.6	144.7	179.5	0	0	0	0	0	109.1	M6 D10 D11	M6-G8 PolarHBondContact O-N 2.95Å; M6-G8 VanDerWaalsContact O-N 3.07Å; G8-D10 PolarHBondContact O-N 2.84Å; G8-D11 PolarHBondContact O-N 3.34Å
9	K	55.7	Low	68.6	Low	197 Å²	197	102.3 Å²	102.3	86%	0.857	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-49.7	-22.2	176.5	-77.1	-176.4	169.9	-174.9	0	113.2	S7 D11 E12	S7-K9 PolarHBondContact O-N 2.9Å; K9-D11 PolarHBondContact O-N 3.06Å; K9-E12 PolarHBondContact O-N 3.1Å
10	D	61.2	Low	70	Confident	133 Å²	133	97.2 Å²	97.2	71%	0.711	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-64.8	-14.5	175.7	-60.9	-24.9	0	0	0	114.8	G8 K66	G8-D10 PolarHBondContact O-N 2.84Å; D10-K66 PolarHBondContact O-NZ 3.44Å
11	D	72.8	Confident	71.3	Confident	95 Å²	95	92.5 Å²	92.5	51%	0.508	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-93	-15.7	178.2	-76.8	-32.5	0	0	0	114.5	G8 K9 Y13 K66	G8-D11 PolarHBondContact O-N 3.34Å; K9-D11 PolarHBondContact O-N 3.06Å; D11-Y13 WeakPolarHBondContact O-CD1 3.3Å; D11-K66 IonicContact OD1-NZ 2.96Å; D11-K66 PolarHBondContact OD1-NZ 3.46Å
12	E	88.1	Confident	74.1	Confident	161 Å²	161	81.6 Å²	81.6	75%	0.752	45%	0.45	S	S	*	.			trans	-82.3	124.1	176.2	-165.6	170.2	-169	0	0	109.9	K9	K9-E12 PolarHBondContact O-N 3.1Å
13	Y	94	Very high	76.9	Confident	102 Å²	102	70.2 Å²	70.2	40%	0.4	41%	0.405	S	S	.	.			trans	-143.7	147.4	178.2	59.2	-95.3	0	0	0	110.4	D11 Y15 L16 K66	D11-Y13 WeakPolarHBondContact O-CD1 3.3Å; Y13-Y15 VanDerWaalsContact CD2-C 3.46Å; Y13-Y15 WeakPolarHBondContact CD2-O 3.46Å; Y13-L16 HydrophobicContact CD2-CB 4.18Å; Y13-L16 HydrophobicContact CE2-CB 3.58Å; Y13-L16 HydrophobicContact CE2-CD1 4.46Å; Y13-L16 HydrophobicContact CE2-CG 4.47Å; Y13-K66 HydrophobicContact CD1-CB 3.92Å; Y13-K66 HydrophobicContact CD1-CD 3.37Å; Y13-K66 HydrophobicContact CD1-CG 4.29Å; Y13-K66 HydrophobicContact CD2-CB 4.32Å; Y13-K66 HydrophobicContact CE1-CD 3.71Å; Y13-K66 HydrophobicContact CG-CB 3.74Å; Y13-K66 HydrophobicContact CG-CD 4.11Å
14	D	95.6	Very high	79.6	Confident	75 Å²	75	67.3 Å²	67.3	40%	0.401	37%	0.37	S	S	.	.	S	Bend	trans	-78.5	-36.3	172.9	-64	-91.1	0	0	0	111	R63 T64	D14-R63 HydrophobicContact CB-CB 4.19Å; D14-R63 WeakPolarHBondContact OD1-CD 3.34Å; D14-R63 IonicContact OD1-CZ 2.97Å; D14-R63 IonicContact OD1-NH1 3.94Å; D14-R63 PolarHBondContact OD1-NH1 2.97Å; D14-R63 WeakPolarHBondContact OD2-CA 3.22Å; D14-T64 PolarHBondContact N-O 3.21Å; D14-T64 PolarHBondContact OD2-N 3.47Å
15	Y	96.7	Very high	82	Confident	61 Å²	61	66 Å²	66	24%	0.239	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.8	-176.2	-60.6	-91.4	0	0	0	112.3	Y13 F17 R63 T64 I65 K66 F178 V181	Y13-Y15 VanDerWaalsContact CD2-C 3.46Å; Y13-Y15 WeakPolarHBondContact CD2-O 3.46Å; Y15-F17 HydrophobicContact CD1-CE1 4.03Å; Y15-F17 HydrophobicContact CD1-CZ 4.1Å; Y15-F17 HydrophobicContact CG-CE1 4.2Å; Y15-F17 HydrophobicContact CG-CZ 4.09Å; Y15-R63 HydrophobicContact CD2-CB 4.2Å; Y15-R63 HydrophobicContact CE2-CB 4.03Å; Y15-R63 HydrophobicContact CE2-CG 4.03Å; Y15-T64 PolarHBondContact N-O 3.47Å; Y15-I65 HydrophobicContact CD2-CG1 4.39Å; Y15-I65 WeakPolarHBondContact O-CA 3.44Å; Y15-K66 PolarHBondContact O-N 3.15Å; Y15-F178 HydrophobicContact CD2-CD2 4.09Å; Y15-F178 AromaticContact CD2-CE2 3.96Å; Y15-F178 HydrophobicContact CD2-CE2 3.96Å; Y15-F178 HydrophobicContact CE1-CE2 4.42Å; Y15-F178 AromaticContact CE2-CD2 3.96Å; Y15-F178 HydrophobicContact CE2-CD2 3.96Å; Y15-F178 AromaticContact CE2-CE2 3.41Å; Y15-F178 HydrophobicContact CE2-CE2 3.41Å; Y15-F178 VanDerWaalsContact CE2-CE2 3.41Å; Y15-F178 HydrophobicContact CG-CD2 4.48Å; Y15-F178 AromaticContact CZ-CE2 3.67Å; Y15-V181 HydrophobicContact CD1-CG1 4.41Å; Y15-V181 HydrophobicContact CE1-CG1 4.09Å
16	L	96.2	Very high	84.2	Confident	45 Å²	45	62.8 Å²	62.8	24%	0.236	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.8	172.1	-175.4	69.1	0	0	0	109	Y13 K66 Q68	Y13-L16 HydrophobicContact CD2-CB 4.18Å; Y13-L16 HydrophobicContact CE2-CB 3.58Å; Y13-L16 HydrophobicContact CE2-CD1 4.46Å; Y13-L16 HydrophobicContact CE2-CG 4.47Å; L16-K66 WeakPolarHBondContact CA-O 3.4Å; L16-K66 HydrophobicContact CD1-CB 3.94Å; L16-K66 HydrophobicContact CD1-CD 4.36Å; L16-K66 HydrophobicContact CD1-CG 4.02Å; L16-Q68 HydrophobicContact CD1-CG 3.78Å; L16-Q68 HydrophobicContact CG-CG 4.49Å
17	F	97.2	Very high	86.7	Confident	9 Å²	9	53.9 Å²	53.9	4%	0.039	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.2	-179.6	-66	-18.4	0	0	0	111.5	Y15 I65 K66 A67 Q68 V90 L174 I177 F178 V181	Y15-F17 HydrophobicContact CD1-CE1 4.03Å; Y15-F17 HydrophobicContact CD1-CZ 4.1Å; Y15-F17 HydrophobicContact CG-CE1 4.2Å; Y15-F17 HydrophobicContact CG-CZ 4.09Å; F17-I65 HydrophobicContact CB-CG2 4.42Å; F17-I65 HydrophobicContact CD2-CG2 3.42Å; F17-I65 VanDerWaalsContact CD2-CG2 3.42Å; F17-I65 HydrophobicContact CE2-CD1 3.9Å; F17-I65 HydrophobicContact CE2-CG1 4.31Å; F17-I65 HydrophobicContact CE2-CG2 3.78Å; F17-I65 HydrophobicContact CG-CG2 4.01Å; F17-K66 PolarHBondContact N-O 3.02Å; F17-A67 CarbonylContact O-C 3.59Å; F17-A67 WeakPolarHBondContact O-CA 3.36Å; F17-Q68 PolarHBondContact O-N 2.87Å; F17-V90 HydrophobicContact CB-CG2 3.93Å; F17-V90 HydrophobicContact CD1-CG2 4.26Å; F17-V90 HydrophobicContact CG-CG2 4.22Å; F17-L174 HydrophobicContact CB-CD2 4.15Å; F17-L174 HydrophobicContact CD2-CD2 3.97Å; F17-I177 HydrophobicContact CD1-CG2 4Å; F17-I177 HydrophobicContact CD2-CB 4.09Å; F17-I177 HydrophobicContact CD2-CG2 3.69Å; F17-I177 HydrophobicContact CE1-CG2 3.94Å; F17-I177 HydrophobicContact CE2-CB 3.99Å; F17-I177 HydrophobicContact CE2-CG2 3.61Å; F17-I177 HydrophobicContact CG-CG2 3.91Å; F17-I177 HydrophobicContact CZ-CG2 3.77Å; F17-F178 HydrophobicContact CE2-CB 3.92Å; F17-F178 HydrophobicContact CZ-CB 4.17Å; F17-F178 HydrophobicContact CZ-CD2 4.5Å; F17-V181 HydrophobicContact CE1-CG2 4.3Å; F17-V181 HydrophobicContact CZ-CG2 4.49Å
18	K	96.4	Very high	88.9	Confident	20 Å²	20	50.2 Å²	50.2	9%	0.087	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.4	172.1	-179.4	175.1	172.7	-172.3	0	110.2	Q68 Y85 R87 A89 V90 G91	K18-Q68 WeakPolarHBondContact CA-O 3.43Å; K18-Y85 WeakPolarHBondContact CE-O 3.48Å; K18-Y85 PolarHBondContact NZ-O 3.38Å; K18-R87 PolarHBondContact NZ-O 3.07Å; K18-A89 HydrophobicContact CG-CB 4.35Å; K18-V90 WeakPolarHBondContact O-CG2 3.44Å; K18-V90 PolarHBondContact O-N 2.86Å; K18-G91 PolarHBondContact O-N 3.39Å
19	V	97.5	Very high	90.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.3	176.1	179.3	0	0	0	0	109.7	Q68 I69 W70 G91 L174 I177	V19-Q68 PolarHBondContact N-O 2.97Å; V19-I69 HydrophobicContact CB-CG1 4.46Å; V19-I69 WeakPolarHBondContact O-CA 3.35Å; V19-W70 PolarHBondContact O-N 2.89Å; V19-G91 VanDerWaalsContact CA-O 3.28Å; V19-G91 WeakPolarHBondContact CA-O 3.19Å; V19-L174 HydrophobicContact CG2-CD2 4.03Å; V19-I177 HydrophobicContact CG2-CD1 4.14Å
20	V	96.6	Very high	92.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.6	176.1	-64	0	0	0	0	111.2	I22 W70 Y86 A89 G91 A92 L93 L114	V20-I22 HydrophobicContact CB-CG2 4.43Å; V20-I22 HydrophobicContact CG2-CG2 4.16Å; V20-W70 HydrophobicContact CG1-CB 4.23Å; V20-Y86 HydrophobicContact CG2-CD1 4.29Å; V20-A89 HydrophobicContact CG1-CB 3.85Å; V20-A89 HydrophobicContact CG2-CB 4.16Å; V20-G91 PolarHBondContact N-O 3.49Å; V20-A92 HydrophobicContact CG2-CB 3.7Å; V20-A92 VanDerWaalsContact O-CA 3.29Å; V20-A92 WeakPolarHBondContact O-CA 3.48Å; V20-L93 PolarHBondContact O-N 2.97Å; V20-L114 HydrophobicContact CG2-CD1 4.06Å
21	L	97.4	Very high	94.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.3	169.2	-48.5	-177	0	0	0	108.5	K29 L33 I69 W70 D71 T72 L93 F170	L21-K29 HydrophobicContact CB-CB 4.14Å; L21-K29 HydrophobicContact CB-CD 4.18Å; L21-K29 HydrophobicContact CB-CG 4.44Å; L21-K29 HydrophobicContact CD1-CB 4.37Å; L21-K29 WeakPolarHBondContact CD1-O 3.44Å; L21-L33 HydrophobicContact CD1-CB 3.9Å; L21-I69 HydrophobicContact CD1-CG2 4.11Å; L21-I69 HydrophobicContact CD2-CG2 4.02Å; L21-I69 HydrophobicContact CG-CG2 3.87Å; L21-W70 PolarHBondContact N-O 2.82Å; L21-D71 HydrophobicContact CD1-CB 4.23Å; L21-T72 PolarHBondContact O-N 3.43Å; L21-T72 PolarHBondContact O-OG1 2.82Å; L21-L93 HydrophobicContact CD2-CB 3.69Å; L21-L93 HydrophobicContact CD2-CD1 3.7Å; L21-L93 HydrophobicContact CD2-CG 3.87Å; L21-F170 HydrophobicContact CD1-CZ 4.39Å; L21-F170 HydrophobicContact CD2-CE1 3.98Å; L21-F170 HydrophobicContact CD2-CZ 3.95Å
22	I	95.5	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	162.1	-177.6	65.8	170.5	0	0	0	111.3	V20 K29 Y86 L93 L94 V95 W110 L114	V20-I22 HydrophobicContact CB-CG2 4.43Å; V20-I22 HydrophobicContact CG2-CG2 4.16Å; I22-K29 VanDerWaalsContact C-CD 3.5Å; I22-Y86 HydrophobicContact CG2-CD1 4.43Å; I22-Y86 HydrophobicContact CG2-CE1 3.46Å; I22-Y86 VanDerWaalsContact CG2-CE1 3.46Å; I22-L93 PolarHBondContact N-O 2.93Å; I22-L94 HydrophobicContact CD1-CB 4.43Å; I22-L94 HydrophobicContact CD1-CD1 3.81Å; I22-L94 HydrophobicContact CG1-CB 4.21Å; I22-L94 HydrophobicContact CG1-CD1 3.74Å; I22-V95 PolarHBondContact O-N 2.95Å; I22-W110 HydrophobicContact CB-CE3 4.31Å; I22-W110 HydrophobicContact CD1-CB 4.36Å; I22-L114 HydrophobicContact CD1-CB 3.85Å; I22-L114 HydrophobicContact CD1-CD1 4.33Å; I22-L114 HydrophobicContact CD1-CD2 3.78Å; I22-L114 HydrophobicContact CD1-CG 4.2Å
23	G	95.7	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	128.7	174	-175.8	0	0	0	0	0	112.1	K29 G74 W110	G23-K29 PolarHBondContact O-NZ 3.28Å; G23-G74 VanDerWaalsContact O-CA 3.28Å; G23-G74 WeakPolarHBondContact O-CA 2.92Å; G23-W110 VanDerWaalsContact C-CE2 3.44Å; G23-W110 WeakPolarHBondContact O-CZ2 3.5Å
24	D	94.9	Very high	96.4	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.112	11%	0.11	C	C	.	.	S	Bend	trans	-58.2	160.4	-173.7	-78.5	0.7	0	0	0	114	G26 V27 K29 T103 N106 W110	D24-G26 PolarHBondContact O-N 2.86Å; D24-V27 HydrophobicContact CB-CG1 3.82Å; D24-V27 VanDerWaalsContact O-CG2 3.28Å; D24-V27 WeakPolarHBondContact O-CG2 3.34Å; D24-K29 PolarHBondContact O-NZ 2.92Å; D24-T103 HydrophobicContact CB-CG2 4Å; D24-T103 WeakPolarHBondContact OD2-CA 3.48Å; D24-N106 PolarHBondContact OD2-ND2 3.06Å; D24-W110 PolarHBondContact OD1-NE1 2.85Å
25	S	93	Very high	96.5	Very high	42 Å²	42	16.5 Å²	16.5	29%	0.294	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	136.3	170.1	176.4	0	0	0	0	110.8	V27 S47 G74	S25-V27 VanDerWaalsContact C-N 3.32Å; S25-V27 PolarHBondContact O-N 2.76Å; S25-S47 PolarHBondContact OG-OG 2.92Å; S25-G74 PolarHBondContact N-O 2.91Å
26	G	93.9	Very high	96.5	Very high	42 Å²	42	14.5 Å²	14.5	43%	0.433	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	5.5	173.5	0	0	0	0	0	115.8	D24 G28 K130	D24-G26 PolarHBondContact O-N 2.86Å; G26-G28 PolarHBondContact O-N 3.43Å; G26-K130 PolarHBondContact O-NZ 2.75Å
27	V	96.7	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-70	-17.8	171.8	-57.4	0	0	0	0	112.8	D24 S25 K29 V95 D97 T103 N129 K130	D24-V27 HydrophobicContact CB-CG1 3.82Å; D24-V27 VanDerWaalsContact O-CG2 3.28Å; D24-V27 WeakPolarHBondContact O-CG2 3.34Å; S25-V27 VanDerWaalsContact C-N 3.32Å; S25-V27 PolarHBondContact O-N 2.76Å; V27-K29 HydrophobicContact CG2-CD 4.27Å; V27-K29 HydrophobicContact CG2-CG 3.58Å; V27-V95 HydrophobicContact CB-CG1 4.26Å; V27-V95 HydrophobicContact CG2-CB 3.9Å; V27-V95 HydrophobicContact CG2-CG1 3.77Å; V27-D97 HydrophobicContact CB-CB 4.34Å; V27-D97 HydrophobicContact CG1-CB 4.22Å; V27-T103 HydrophobicContact CG1-CG2 3.77Å; V27-N129 PolarHBondContact O-ND2 3.39Å; V27-K130 WeakPolarHBondContact O-CE 3.41Å
28	G	97.2	Very high	96.5	Very high	12 Å²	12	18.7 Å²	18.7	12%	0.124	10%	0.104	C	C	.	.	S	Bend	trans	106.6	20.4	173.9	0	0	0	0	0	115.6	G26 S30 N31 L32	G26-G28 PolarHBondContact O-N 3.43Å; G28-S30 PolarHBondContact O-N 3.15Å; G28-N31 PolarHBondContact O-N 3.01Å; G28-N31 VanDerWaalsContact O-N 3.16Å; G28-L32 PolarHBondContact O-N 3.5Å
29	K	96.8	Very high	96.5	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-52.9	-49.7	178.1	-55.2	-170.9	-60.5	-77.4	0	113.3	L21 I22 G23 D24 V27 N31 L32 L33 D71 T72 V95	L21-K29 HydrophobicContact CB-CB 4.14Å; L21-K29 HydrophobicContact CB-CD 4.18Å; L21-K29 HydrophobicContact CB-CG 4.44Å; L21-K29 HydrophobicContact CD1-CB 4.37Å; L21-K29 WeakPolarHBondContact CD1-O 3.44Å; I22-K29 VanDerWaalsContact C-CD 3.5Å; G23-K29 PolarHBondContact O-NZ 3.28Å; D24-K29 PolarHBondContact O-NZ 2.92Å; V27-K29 HydrophobicContact CG2-CD 4.27Å; V27-K29 HydrophobicContact CG2-CG 3.58Å; K29-N31 VanDerWaalsContact C-N 3.32Å; K29-N31 PolarHBondContact O-N 3.27Å; K29-L32 WeakPolarHBondContact O-CB 3.45Å; K29-L32 PolarHBondContact O-N 3.24Å; K29-L32 VanDerWaalsContact O-N 3.13Å; K29-L33 PolarHBondContact O-N 2.91Å; K29-D71 WeakPolarHBondContact CB-OD1 3.36Å; K29-T72 WeakPolarHBondContact CE-O 3.22Å; K29-T72 PolarHBondContact NZ-O 2.92Å; K29-V95 HydrophobicContact CG-CB 4.13Å; K29-V95 HydrophobicContact CG-CG2 4.17Å
30	S	96.1	Very high	96.5	Very high	22 Å²	22	27.7 Å²	27.7	15%	0.154	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-38.8	178	-37.4	0	0	0	0	112.5	G28 L33 S34 T48 D71	G28-S30 PolarHBondContact O-N 3.15Å; S30-L33 WeakPolarHBondContact O-CB 3.28Å; S30-L33 PolarHBondContact O-N 3.3Å; S30-S34 PolarHBondContact O-N 3.26Å; S30-S34 PolarHBondContact O-OG 3.42Å; S30-T48 PolarHBondContact OG-OG1 3.2Å; S30-D71 VanDerWaalsContact CA-OD2 3.3Å; S30-D71 WeakPolarHBondContact CA-OD2 3.5Å; S30-D71 VanDerWaalsContact CB-OD2 3.23Å; S30-D71 WeakPolarHBondContact CB-OD2 3.43Å; S30-D71 PolarHBondContact N-OD2 2.92Å; S30-D71 PolarHBondContact OG-OD2 3.29Å
31	N	97.5	Very high	96.4	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-69.5	-34.2	175.9	-88	-40.9	0	0	0	112.3	G28 K29 S34 R35 F41 N42 S45 A160	G28-N31 PolarHBondContact O-N 3.01Å; G28-N31 VanDerWaalsContact O-N 3.16Å; K29-N31 VanDerWaalsContact C-N 3.32Å; K29-N31 PolarHBondContact O-N 3.27Å; N31-S34 WeakPolarHBondContact CA-OG 3.37Å; N31-S34 PolarHBondContact O-OG 2.81Å; N31-R35 WeakPolarHBondContact O-CB 3.16Å; N31-R35 PolarHBondContact O-N 3.17Å; N31-F41 HydrophobicContact CB-CD2 3.86Å; N31-F41 HydrophobicContact CB-CE2 3.97Å; N31-N42 PolarHBondContact ND2-O 3.13Å; N31-N42 PolarHBondContact OD1-N 3.33Å; N31-N42 PolarHBondContact OD1-O 3.13Å; N31-S45 PolarHBondContact ND2-OG 3.04Å; N31-A160 HydrophobicContact CB-CB 3.81Å
32	L	98.4	Very high	96.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-43.8	170.6	-73	170.3	0	0	0	110.8	G28 K29 R35 F36 V95 V127 N129 A160 V166 F170	G28-L32 PolarHBondContact O-N 3.5Å; K29-L32 WeakPolarHBondContact O-CB 3.45Å; K29-L32 PolarHBondContact O-N 3.24Å; K29-L32 VanDerWaalsContact O-N 3.13Å; L32-R35 PolarHBondContact O-N 2.85Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 PolarHBondContact O-N 2.76Å; L32-V95 HydrophobicContact CD1-CG1 3.86Å; L32-V95 HydrophobicContact CD1-CG2 4.15Å; L32-V127 HydrophobicContact CD1-CG1 4.34Å; L32-N129 HydrophobicContact CD1-CB 4.33Å; L32-A160 HydrophobicContact CD2-CB 4Å; L32-A160 HydrophobicContact CG-CB 4.28Å; L32-V166 HydrophobicContact CD2-CG1 4.26Å; L32-V166 HydrophobicContact CD2-CG2 3.78Å; L32-F170 HydrophobicContact CB-CE2 4.37Å
33	L	97.8	Very high	95.9	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-52.1	176.8	-178.2	59.8	0	0	0	111.8	L21 K29 S30 R35 F36 T37 E52 A54 I69 D71	L21-L33 HydrophobicContact CD1-CB 3.9Å; K29-L33 PolarHBondContact O-N 2.91Å; S30-L33 WeakPolarHBondContact O-CB 3.28Å; S30-L33 PolarHBondContact O-N 3.3Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 2.88Å; L33-F36 PolarHBondContact O-N 3.34Å; L33-T37 HydrophobicContact CD1-CG2 3.86Å; L33-T37 WeakPolarHBondContact O-CB 3.07Å; L33-T37 WeakPolarHBondContact O-CG2 3.39Å; L33-T37 PolarHBondContact O-N 2.96Å; L33-T37 PolarHBondContact O-OG1 3.2Å; L33-E52 HydrophobicContact CD2-CB 4.41Å; L33-A54 HydrophobicContact CD1-CB 3.95Å; L33-A54 HydrophobicContact CD2-CB 4.22Å; L33-A54 HydrophobicContact CG-CB 4.21Å; L33-I69 HydrophobicContact CD1-CB 3.64Å; L33-I69 HydrophobicContact CD1-CD1 4.21Å; L33-I69 HydrophobicContact CD1-CG2 3.51Å; L33-D71 HydrophobicContact CD2-CB 3.64Å
34	S	96.6	Very high	95.3	Very high	11 Å²	11	49.5 Å²	49.5	8%	0.077	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-37.5	-179.7	65.4	0	0	0	0	111.8	S30 N31 R38 N39 E40	S30-S34 PolarHBondContact O-N 3.26Å; S30-S34 PolarHBondContact O-OG 3.42Å; N31-S34 WeakPolarHBondContact CA-OG 3.37Å; N31-S34 PolarHBondContact O-OG 2.81Å; S34-R38 CarbonylContact O-C 3.38Å; S34-R38 WeakPolarHBondContact O-CA 3.41Å; S34-R38 PolarHBondContact O-N 2.92Å; S34-N39 PolarHBondContact O-N 3.4Å; S34-N39 VanDerWaalsContact O-N 3.14Å; S34-E40 CarbonylContact C-O 3.59Å; S34-E40 VanDerWaalsContact C-O 3.26Å; S34-E40 WeakPolarHBondContact CB-O 3.46Å; S34-E40 PolarHBondContact O-N 3.39Å; S34-E40 PolarHBondContact OG-O 2.89Å
35	R	97.9	Very high	94.7	Very high	39 Å²	39	51 Å²	51	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-46.8	176.7	179.3	60	71.9	-169	6.5	111	N31 L32 L33 N39 E40 A160 L161 V166	N31-R35 WeakPolarHBondContact O-CB 3.16Å; N31-R35 PolarHBondContact O-N 3.17Å; L32-R35 PolarHBondContact O-N 2.85Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 2.88Å; R35-N39 WeakPolarHBondContact CD-OD1 3.35Å; R35-N39 PolarHBondContact NH1-O 3.04Å; R35-N39 PolarHBondContact NH1-OD1 3.48Å; R35-N39 WeakPolarHBondContact O-CA 3.23Å; R35-N39 PolarHBondContact O-N 2.93Å; R35-E40 VanDerWaalsContact CA-O 3.32Å; R35-E40 WeakPolarHBondContact CA-O 3.47Å; R35-E40 PolarHBondContact N-O 3.42Å; R35-A160 PolarHBondContact NE-O 2.77Å; R35-A160 PolarHBondContact NH2-O 2.94Å; R35-L161 PolarHBondContact NH2-O 2.83Å; R35-V166 HydrophobicContact CB-CG1 4.23Å; R35-V166 HydrophobicContact CG-CB 4.19Å; R35-V166 HydrophobicContact CG-CG1 3.95Å; R35-V166 HydrophobicContact CG-CG2 4.03Å
36	F	98.2	Very high	94.1	Very high	18 Å²	18	58 Å²	58	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-42.4	179.2	177.7	-117	0	0	0	113	L32 L33 K56 V58 I69 V166 F170	L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 PolarHBondContact O-N 2.76Å; L33-F36 PolarHBondContact O-N 3.34Å; F36-K56 HydrophobicContact CD1-CB 4.47Å; F36-K56 HydrophobicContact CE1-CB 3.8Å; F36-K56 HydrophobicContact CE1-CG 3.81Å; F36-K56 HydrophobicContact CZ-CB 4.38Å; F36-K56 HydrophobicContact CZ-CG 3.95Å; F36-V58 HydrophobicContact CZ-CG1 4.08Å; F36-I69 HydrophobicContact CD1-CD1 3.53Å; F36-I69 HydrophobicContact CE1-CD1 3.55Å; F36-V166 HydrophobicContact CB-CG1 3.99Å; F36-F170 HydrophobicContact CB-CD2 3.57Å; F36-F170 HydrophobicContact CB-CE2 3.6Å; F36-F170 HydrophobicContact CB-CG 4.23Å; F36-F170 HydrophobicContact CB-CZ 4.28Å; F36-F170 HydrophobicContact CD1-CB 4.11Å; F36-F170 AromaticContact CD1-CD1 3.84Å; F36-F170 HydrophobicContact CD1-CD1 3.84Å; F36-F170 AromaticContact CD1-CD2 3.92Å; F36-F170 HydrophobicContact CD1-CD2 3.92Å; F36-F170 HydrophobicContact CD1-CE1 4.22Å; F36-F170 HydrophobicContact CD1-CE2 4.29Å; F36-F170 AromaticContact CD1-CG 3.68Å; F36-F170 HydrophobicContact CD1-CG 3.68Å; F36-F170 HydrophobicContact CD1-CZ 4.42Å; F36-F170 HydrophobicContact CD2-CB 3.69Å; F36-F170 AromaticContact CD2-CD2 3.77Å; F36-F170 HydrophobicContact CD2-CD2 3.77Å; F36-F170 AromaticContact CD2-CG 3.85Å; F36-F170 HydrophobicContact CD2-CG 3.85Å; F36-F170 HydrophobicContact CE1-CB 3.94Å; F36-F170 HydrophobicContact CE1-CD1 4.03Å; F36-F170 AromaticContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE2-CB 3.5Å; F36-F170 HydrophobicContact CE2-CD2 4.46Å; F36-F170 HydrophobicContact CE2-CG 4.1Å; F36-F170 HydrophobicContact CG-CB 3.99Å; F36-F170 HydrophobicContact CG-CD1 4.24Å; F36-F170 AromaticContact CG-CD2 3.45Å; F36-F170 HydrophobicContact CG-CD2 3.45Å; F36-F170 VanDerWaalsContact CG-CD2 3.45Å; F36-F170 AromaticContact CG-CE2 3.93Å; F36-F170 HydrophobicContact CG-CE2 3.93Å; F36-F170 AromaticContact CG-CG 3.63Å; F36-F170 HydrophobicContact CG-CG 3.63Å; F36-F170 HydrophobicContact CG-CZ 4.5Å; F36-F170 HydrophobicContact CZ-CB 3.63Å; F36-F170 HydrophobicContact CZ-CG 4.15Å
37	T	96.8	Very high	93.7	Very high	15 Å²	15	58.6 Å²	58.6	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-83.7	-40.7	-170.9	55.9	0	0	0	0	112.8	L33 A54 K56 I69	L33-T37 HydrophobicContact CD1-CG2 3.86Å; L33-T37 WeakPolarHBondContact O-CB 3.07Å; L33-T37 WeakPolarHBondContact O-CG2 3.39Å; L33-T37 PolarHBondContact O-N 2.96Å; L33-T37 PolarHBondContact O-OG1 3.2Å; T37-A54 HydrophobicContact CG2-CB 3.81Å; T37-K56 HydrophobicContact CG2-CB 4.34Å; T37-K56 PolarHBondContact O-NZ 2.77Å; T37-I69 HydrophobicContact CG2-CD1 4.49Å
38	R	95.7	Very high	92.9	Very high	127 Å²	127	59.5 Å²	59.5	48%	0.479	30%	0.298	S	S	.	.	H	α-helix	trans	-124.9	-0.3	-171.1	-61	-173.3	-62.3	-85.5	3.7	114.3	S34 E40	S34-R38 CarbonylContact O-C 3.38Å; S34-R38 WeakPolarHBondContact O-CA 3.41Å; S34-R38 PolarHBondContact O-N 2.92Å; R38-E40 HydrophobicContact CB-CB 4.35Å; R38-E40 HydrophobicContact CB-CG 3.92Å; R38-E40 IonicContact CZ-OE2 3.69Å; R38-E40 IonicContact NE-OE1 3.36Å; R38-E40 IonicContact NE-OE2 2.94Å; R38-E40 PolarHBondContact NE-OE2 3.21Å; R38-E40 IonicContact NH2-OE2 3.32Å; R38-E40 PolarHBondContact O-N 3.33Å
39	N	96.9	Very high	91.8	Very high	108 Å²	108	65.5 Å²	65.5	58%	0.578	33%	0.326	S	S	*	.	S	Bend	trans	56.2	37.9	-171.9	-163.4	22.3	0	0	0	113.2	S34 R35	S34-N39 PolarHBondContact O-N 3.4Å; S34-N39 VanDerWaalsContact O-N 3.14Å; R35-N39 WeakPolarHBondContact CD-OD1 3.35Å; R35-N39 PolarHBondContact NH1-O 3.04Å; R35-N39 PolarHBondContact NH1-OD1 3.48Å; R35-N39 WeakPolarHBondContact O-CA 3.23Å; R35-N39 PolarHBondContact O-N 2.93Å
40	E	96.3	Very high	90.7	Very high	102 Å²	102	66.3 Å²	66.3	48%	0.477	34%	0.337	S	S	.	.			trans	-113.5	144.8	-178.4	-72.1	170.6	178.9	0	0	111.5	S34 R35 R38	S34-E40 CarbonylContact C-O 3.59Å; S34-E40 VanDerWaalsContact C-O 3.26Å; S34-E40 WeakPolarHBondContact CB-O 3.46Å; S34-E40 PolarHBondContact O-N 3.39Å; S34-E40 PolarHBondContact OG-O 2.89Å; R35-E40 VanDerWaalsContact CA-O 3.32Å; R35-E40 WeakPolarHBondContact CA-O 3.47Å; R35-E40 PolarHBondContact N-O 3.42Å; R38-E40 HydrophobicContact CB-CB 4.35Å; R38-E40 HydrophobicContact CB-CG 3.92Å; R38-E40 IonicContact CZ-OE2 3.69Å; R38-E40 IonicContact NE-OE1 3.36Å; R38-E40 IonicContact NE-OE2 2.94Å; R38-E40 PolarHBondContact NE-OE2 3.21Å; R38-E40 IonicContact NH2-OE2 3.32Å; R38-E40 PolarHBondContact O-N 3.33Å
41	F	96.2	Very high	90.1	Very high	63 Å²	63	67 Å²	67	28%	0.276	34%	0.34	S	S	.	.			trans	-135.6	134.5	171.5	174.9	-90.9	0	0	0	110	N31 L43 A160 L161	N31-F41 HydrophobicContact CB-CD2 3.86Å; N31-F41 HydrophobicContact CB-CE2 3.97Å; F41-L43 HydrophobicContact CE1-CB 3.93Å; F41-L43 HydrophobicContact CE1-CD1 3.97Å; F41-L43 HydrophobicContact CZ-CD1 4.21Å; F41-A160 HydrophobicContact CD2-CB 3.97Å; F41-A160 WeakPolarHBondContact CD2-O 3.14Å; F41-A160 HydrophobicContact CE2-CB 4.14Å; F41-L161 HydrophobicContact CD1-CD1 3.75Å; F41-L161 HydrophobicContact CD2-CB 4.41Å; F41-L161 HydrophobicContact CE1-CB 4.35Å; F41-L161 HydrophobicContact CE1-CD1 3.46Å; F41-L161 VanDerWaalsContact CE1-CD1 3.46Å; F41-L161 HydrophobicContact CE1-CG 4.47Å; F41-L161 HydrophobicContact CE2-CB 3.97Å; F41-L161 HydrophobicContact CG-CD1 4.42Å; F41-L161 HydrophobicContact CZ-CB 3.94Å; F41-L161 HydrophobicContact CZ-CD1 3.91Å; F41-L161 HydrophobicContact CZ-CG 4.47Å
42	N	92.6	Very high	89.7	Confident	89 Å²	89	71 Å²	71	48%	0.476	36%	0.358	S	S	.	.			trans	-117.7	112.3	175.6	-174.5	-2.2	0	0	0	110.2	N31 E44 S45	N31-N42 PolarHBondContact ND2-O 3.13Å; N31-N42 PolarHBondContact OD1-N 3.33Å; N31-N42 PolarHBondContact OD1-O 3.13Å; N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact O-N 3.46Å; N42-E44 WeakPolarHBondContact OD1-CA 3.44Å; N42-E44 PolarHBondContact OD1-N 3.49Å; N42-S45 WeakPolarHBondContact O-CB 3.25Å; N42-S45 PolarHBondContact O-N 3Å
43	L	88.2	Confident	89.3	Confident	141 Å²	141	75.6 Å²	75.6	74%	0.738	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.7	176.6	-171	66.7	0	0	0	112.1	F41 S45	F41-L43 HydrophobicContact CE1-CB 3.93Å; F41-L43 HydrophobicContact CE1-CD1 3.97Å; F41-L43 HydrophobicContact CZ-CD1 4.21Å; L43-S45 PolarHBondContact O-N 3.15Å
44	E	84.3	Confident	89.2	Confident	165 Å²	165	76 Å²	76	77%	0.771	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	23.1	178.8	-58	-173.5	171.9	0	0	112.3	N42 K46	N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact O-N 3.46Å; N42-E44 WeakPolarHBondContact OD1-CA 3.44Å; N42-E44 PolarHBondContact OD1-N 3.49Å; E44-K46 PolarHBondContact O-N 3.06Å
45	S	80.8	Confident	89.2	Confident	53 Å²	53	78 Å²	78	37%	0.371	39%	0.393	S	S	.	.			trans	-55.6	113.6	178.2	64.4	0	0	0	0	110.3	N31 N42 L43	N31-S45 PolarHBondContact ND2-OG 3.04Å; N42-S45 WeakPolarHBondContact O-CB 3.25Å; N42-S45 PolarHBondContact O-N 3Å; L43-S45 PolarHBondContact O-N 3.15Å
46	K	82	Confident	89.1	Confident	190 Å²	190	79.9 Å²	79.9	83%	0.826	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-74.5	165.2	174.8	-64.3	-177.4	-178.6	176	0	110	E44 T48	E44-K46 PolarHBondContact O-N 3.06Å; K46-T48 PolarHBondContact O-N 3.27Å
47	S	84.8	Confident	89	Confident	54 Å²	54	81.5 Å²	81.5	38%	0.378	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-56.2	124.8	169.4	-71	0	0	0	0	110.3	S25 I49	S25-S47 PolarHBondContact OG-OG 2.92Å; S47-I49 PolarHBondContact O-N 3.4Å
48	T	78.8	Confident	89	Confident	18 Å²	18	82 Å²	82	11%	0.11	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-56.5	125.4	172.3	-39.7	0	0	0	0	109.7	S30 K46 E52 A73	S30-T48 PolarHBondContact OG-OG1 3.2Å; K46-T48 PolarHBondContact O-N 3.27Å; T48-E52 HydrophobicContact CG2-CG 4.08Å; T48-A73 WeakPolarHBondContact O-CB 3.35Å
49	I	74.1	Confident	89	Confident	139 Å²	139	82.9 Å²	82.9	71%	0.713	43%	0.429	S	S	*	.			trans	-101.7	112.9	172.5	-59.6	175.5	0	0	0	106.1	S47	S47-I49 PolarHBondContact O-N 3.4Å
50	G	74.1	Confident	89	Confident	24 Å²	24	77.7 Å²	77.7	25%	0.247	40%	0.401	C	S	.	.	S	Bend	trans	84.6	-137.1	-175	0	0	0	0	0	113	A73	G50-A73 WeakPolarHBondContact O-CB 3.2Å; G50-A73 PolarHBondContact O-N 2.94Å
51	V	84.4	Confident	88.9	Confident	37 Å²	37	77 Å²	77	22%	0.224	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.6	-174.2	-179.6	0	0	0	0	110	W70 D71 Y85	V51-W70 HydrophobicContact CG1-CB 4.32Å; V51-W70 HydrophobicContact CG1-CE3 3.74Å; V51-D71 CarbonylContact C-O 3.26Å; V51-D71 VanDerWaalsContact CA-O 3.28Å; V51-D71 WeakPolarHBondContact CA-O 3.23Å; V51-D71 VanDerWaalsContact CG1-O 3.32Å; V51-D71 WeakPolarHBondContact CG1-O 3.26Å; V51-Y85 HydrophobicContact CB-CE1 3.98Å; V51-Y85 HydrophobicContact CB-CE2 4.22Å; V51-Y85 HydrophobicContact CG1-CD1 3.96Å; V51-Y85 HydrophobicContact CG1-CE1 3.8Å; V51-Y85 HydrophobicContact CG1-CG 4.42Å; V51-Y85 HydrophobicContact CG2-CD1 4.3Å; V51-Y85 HydrophobicContact CG2-CD2 3.71Å; V51-Y85 HydrophobicContact CG2-CE1 3.96Å; V51-Y85 HydrophobicContact CG2-CE2 3.34Å; V51-Y85 HydrophobicContact CG2-CG 4.17Å; V51-Y85 VanDerWaalsContact CG2-CZ 3.46Å
52	E	88.8	Confident	88.8	Confident	92 Å²	92	77.3 Å²	77.3	43%	0.43	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	143.9	169.9	-68.2	-173	-173.3	0	0	110	L33 T48 W70 D71	L33-E52 HydrophobicContact CD2-CB 4.41Å; T48-E52 HydrophobicContact CG2-CG 4.08Å; E52-W70 CarbonylContact O-C 3.58Å; E52-W70 WeakPolarHBondContact O-CA 3.38Å; E52-D71 HydrophobicContact CB-CB 4.19Å; E52-D71 PolarHBondContact N-O 3.29Å; E52-D71 PolarHBondContact O-N 3.03Å
53	F	90.7	Very high	89	Confident	99 Å²	99	78.6 Å²	78.6	43%	0.434	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.4	-179.1	169.8	-98.6	0	0	0	109.6	T55 Q68 W70	F53-T55 WeakPolarHBondContact CE1-OG1 3.23Å; F53-T55 WeakPolarHBondContact CZ-OG1 3.42Å; F53-Q68 HydrophobicContact CE2-CB 3.8Å; F53-Q68 HydrophobicContact CE2-CG 3.81Å; F53-Q68 HydrophobicContact CZ-CB 4.39Å; F53-Q68 HydrophobicContact CZ-CG 3.92Å; F53-W70 HydrophobicContact CB-CE3 4.24Å; F53-W70 HydrophobicContact CB-CZ3 4.31Å; F53-W70 AromaticContact CD2-CD2 3.79Å; F53-W70 HydrophobicContact CD2-CD2 3.79Å; F53-W70 AromaticContact CD2-CE2 3.57Å; F53-W70 HydrophobicContact CD2-CE3 4.06Å; F53-W70 HydrophobicContact CD2-CG 4.35Å; F53-W70 HydrophobicContact CD2-CH2 4.05Å; F53-W70 AromaticContact CD2-CZ2 3.73Å; F53-W70 HydrophobicContact CD2-CZ2 3.73Å; F53-W70 HydrophobicContact CD2-CZ3 4.19Å; F53-W70 AromaticContact CD2-NE1 3.94Å; F53-W70 AromaticContact CE2-CE2 3.87Å; F53-W70 AromaticContact CE2-CZ2 3.88Å; F53-W70 HydrophobicContact CE2-CZ2 3.88Å; F53-W70 AromaticContact CE2-NE1 3.96Å
54	A	95.1	Very high	89.4	Confident	11 Å²	11	73.7 Å²	73.7	9%	0.091	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.1	168.7	0	0	0	0	0	110.9	L33 T37 I69	L33-A54 HydrophobicContact CD1-CB 3.95Å; L33-A54 HydrophobicContact CD2-CB 4.22Å; L33-A54 HydrophobicContact CG-CB 4.21Å; T37-A54 HydrophobicContact CG2-CB 3.81Å; A54-I69 PolarHBondContact N-O 2.83Å; A54-I69 PolarHBondContact O-N 3.05Å
55	T	95.8	Very high	90	Very high	53 Å²	53	65.8 Å²	65.8	33%	0.325	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141	175.8	-61.1	0	0	0	0	110.1	F53 K66 A67	F53-T55 WeakPolarHBondContact CE1-OG1 3.23Å; F53-T55 WeakPolarHBondContact CZ-OG1 3.42Å; T55-K66 HydrophobicContact CG2-CD 4.04Å; T55-K66 HydrophobicContact CG2-CG 3.41Å; T55-K66 VanDerWaalsContact CG2-CG 3.41Å; T55-A67 CarbonylContact C-O 3.58Å; T55-A67 VanDerWaalsContact CA-O 3.23Å; T55-A67 WeakPolarHBondContact CA-O 3.44Å
56	K	96.3	Very high	90.8	Very high	80 Å²	80	64.8 Å²	64.8	35%	0.348	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.7	172.7	-171.8	70.1	168.5	-168.8	0	109.4	F36 T37 V58 A67	F36-K56 HydrophobicContact CD1-CB 4.47Å; F36-K56 HydrophobicContact CE1-CB 3.8Å; F36-K56 HydrophobicContact CE1-CG 3.81Å; F36-K56 HydrophobicContact CZ-CB 4.38Å; F36-K56 HydrophobicContact CZ-CG 3.95Å; T37-K56 HydrophobicContact CG2-CB 4.34Å; T37-K56 PolarHBondContact O-NZ 2.77Å; K56-V58 HydrophobicContact CG-CG1 4.23Å; K56-A67 PolarHBondContact N-O 3Å; K56-A67 WeakPolarHBondContact O-CB 3.32Å; K56-A67 PolarHBondContact O-N 3.07Å
57	S	96.5	Very high	91.5	Very high	52 Å²	52	55.7 Å²	55.7	36%	0.364	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.4	169.8	-59.1	0	0	0	0	109.6	I65	S57-I65 CarbonylContact C-O 3.57Å; S57-I65 WeakPolarHBondContact CA-O 3.17Å
58	V	96.4	Very high	92.1	Very high	25 Å²	25	55.7 Å²	55.7	15%	0.152	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.9	174.6	-59.4	0	0	0	0	109.6	F36 K56 I60 I65 L174	F36-V58 HydrophobicContact CZ-CG1 4.08Å; K56-V58 HydrophobicContact CG-CG1 4.23Å; V58-I60 HydrophobicContact CG2-CD1 4.24Å; V58-I60 HydrophobicContact CG2-CG1 4.15Å; V58-I65 HydrophobicContact CG2-CB 4.07Å; V58-I65 PolarHBondContact N-O 3.12Å; V58-I65 PolarHBondContact O-N 3.49Å; V58-L174 HydrophobicContact CG2-CD1 3.78Å
59	E	96.7	Very high	93	Very high	145 Å²	145	54.9 Å²	54.9	68%	0.678	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.8	171.8	-69.8	-170.9	178.2	0	0	110.4	R63	E59-R63 WeakPolarHBondContact CA-O 3.48Å
60	I	96.3	Very high	94	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.3	174.1	-56.2	-168.6	0	0	0	108.2	V58 G62 R63 I65 Y171 L174 R175 F178	V58-I60 HydrophobicContact CG2-CD1 4.24Å; V58-I60 HydrophobicContact CG2-CG1 4.15Å; I60-G62 PolarHBondContact O-N 2.73Å; I60-G62 VanDerWaalsContact O-N 3.14Å; I60-R63 PolarHBondContact N-O 2.86Å; I60-R63 WeakPolarHBondContact O-CB 3.36Å; I60-R63 PolarHBondContact O-N 3.19Å; I60-I65 HydrophobicContact CB-CD1 3.68Å; I60-I65 HydrophobicContact CD1-CD1 3.64Å; I60-I65 HydrophobicContact CG1-CD1 3.72Å; I60-Y171 HydrophobicContact CD1-CD2 4.25Å; I60-Y171 HydrophobicContact CD1-CE2 3.99Å; I60-Y171 HydrophobicContact CG1-CD2 4.32Å; I60-Y171 HydrophobicContact CG1-CE2 3.64Å; I60-L174 HydrophobicContact CD1-CB 3.82Å; I60-R175 HydrophobicContact CD1-CB 4.04Å; I60-R175 HydrophobicContact CG2-CB 4.29Å; I60-R175 HydrophobicContact CG2-CG 4.04Å; I60-F178 HydrophobicContact CG2-CD1 3.92Å; I60-F178 HydrophobicContact CG2-CE1 4.45Å
61	D	94	Very high	94.8	Very high	88 Å²	88	49.1 Å²	49.1	47%	0.471	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	40.9	-180	-58.7	-15.3	0	0	0	113.3	R63 R175 F178	D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3.25Å; D61-R175 IonicContact OD1-CZ 3.76Å; D61-R175 IonicContact OD1-NH2 2.79Å; D61-R175 PolarHBondContact OD1-NH2 3.02Å; D61-R175 IonicContact OD2-NH2 3.32Å; D61-R175 PolarHBondContact OD2-NH2 2.97Å; D61-F178 HydrophobicContact CB-CE1 3.92Å
62	G	94.7	Very high	94.9	Very high	68 Å²	68	47.3 Å²	47.3	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	11.1	179.7	0	0	0	0	0	115.1	I60	I60-G62 PolarHBondContact O-N 2.73Å; I60-G62 VanDerWaalsContact O-N 3.14Å
63	R	96	Very high	94.6	Very high	116 Å²	116	43 Å²	43	44%	0.438	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.3	176.1	-59.8	-62.4	-177.9	171.2	-3	110.9	D14 Y15 E59 I60 D61 F178	D14-R63 HydrophobicContact CB-CB 4.19Å; D14-R63 WeakPolarHBondContact OD1-CD 3.34Å; D14-R63 IonicContact OD1-CZ 2.97Å; D14-R63 IonicContact OD1-NH1 3.94Å; D14-R63 PolarHBondContact OD1-NH1 2.97Å; D14-R63 WeakPolarHBondContact OD2-CA 3.22Å; Y15-R63 HydrophobicContact CD2-CB 4.2Å; Y15-R63 HydrophobicContact CE2-CB 4.03Å; Y15-R63 HydrophobicContact CE2-CG 4.03Å; E59-R63 WeakPolarHBondContact CA-O 3.48Å; I60-R63 PolarHBondContact N-O 2.86Å; I60-R63 WeakPolarHBondContact O-CB 3.36Å; I60-R63 PolarHBondContact O-N 3.19Å; D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3.25Å; R63-F178 HydrophobicContact CB-CE2 4.2Å; R63-F178 HydrophobicContact CB-CZ 4.25Å; R63-F178 HydrophobicContact CG-CE2 3.99Å; R63-F178 HydrophobicContact CG-CZ 3.79Å
64	T	96.5	Very high	93.9	Very high	38 Å²	38	38.7 Å²	38.7	23%	0.233	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.3	174.6	-59.3	0	0	0	0	109.5	D14 Y15	D14-T64 PolarHBondContact N-O 3.21Å; D14-T64 PolarHBondContact OD2-N 3.47Å; Y15-T64 PolarHBondContact N-O 3.47Å
65	I	97.3	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.9	176.3	-60.8	171.4	0	0	0	108.3	Y15 F17 S57 V58 I60 L174 F178	Y15-I65 HydrophobicContact CD2-CG1 4.39Å; Y15-I65 WeakPolarHBondContact O-CA 3.44Å; F17-I65 HydrophobicContact CB-CG2 4.42Å; F17-I65 HydrophobicContact CD2-CG2 3.42Å; F17-I65 VanDerWaalsContact CD2-CG2 3.42Å; F17-I65 HydrophobicContact CE2-CD1 3.9Å; F17-I65 HydrophobicContact CE2-CG1 4.31Å; F17-I65 HydrophobicContact CE2-CG2 3.78Å; F17-I65 HydrophobicContact CG-CG2 4.01Å; S57-I65 CarbonylContact C-O 3.57Å; S57-I65 WeakPolarHBondContact CA-O 3.17Å; V58-I65 HydrophobicContact CG2-CB 4.07Å; V58-I65 PolarHBondContact N-O 3.12Å; V58-I65 PolarHBondContact O-N 3.49Å; I60-I65 HydrophobicContact CB-CD1 3.68Å; I60-I65 HydrophobicContact CD1-CD1 3.64Å; I60-I65 HydrophobicContact CG1-CD1 3.72Å; I65-L174 HydrophobicContact CG2-CD2 4.36Å; I65-F178 HydrophobicContact CD1-CB 3.87Å; I65-F178 HydrophobicContact CD1-CD2 4.2Å; I65-F178 HydrophobicContact CD1-CG 4.05Å
66	K	97.5	Very high	91.4	Very high	31 Å²	31	43.7 Å²	43.7	14%	0.135	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	105.4	170	-165.3	162.8	-169.9	160	0	108.6	D10 D11 Y13 Y15 L16 F17 T55	D10-K66 PolarHBondContact O-NZ 3.44Å; D11-K66 IonicContact OD1-NZ 2.96Å; D11-K66 PolarHBondContact OD1-NZ 3.46Å; Y13-K66 HydrophobicContact CD1-CB 3.92Å; Y13-K66 HydrophobicContact CD1-CD 3.37Å; Y13-K66 HydrophobicContact CD1-CG 4.29Å; Y13-K66 HydrophobicContact CD2-CB 4.32Å; Y13-K66 HydrophobicContact CE1-CD 3.71Å; Y13-K66 HydrophobicContact CG-CB 3.74Å; Y13-K66 HydrophobicContact CG-CD 4.11Å; Y15-K66 PolarHBondContact O-N 3.15Å; L16-K66 WeakPolarHBondContact CA-O 3.4Å; L16-K66 HydrophobicContact CD1-CB 3.94Å; L16-K66 HydrophobicContact CD1-CD 4.36Å; L16-K66 HydrophobicContact CD1-CG 4.02Å; F17-K66 PolarHBondContact N-O 3.02Å; T55-K66 HydrophobicContact CG2-CD 4.04Å; T55-K66 HydrophobicContact CG2-CG 3.41Å; T55-K66 VanDerWaalsContact CG2-CG 3.41Å
67	A	97.7	Very high	90.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.3	176.3	0	0	0	0	0	110.3	F17 T55 K56 I69 L174	F17-A67 CarbonylContact O-C 3.59Å; F17-A67 WeakPolarHBondContact O-CA 3.36Å; T55-A67 CarbonylContact C-O 3.58Å; T55-A67 VanDerWaalsContact CA-O 3.23Å; T55-A67 WeakPolarHBondContact CA-O 3.44Å; K56-A67 PolarHBondContact N-O 3Å; K56-A67 WeakPolarHBondContact O-CB 3.32Å; K56-A67 PolarHBondContact O-N 3.07Å; A67-I69 HydrophobicContact CB-CD1 4.42Å; A67-I69 HydrophobicContact CB-CG1 4.26Å; A67-L174 HydrophobicContact CB-CD1 3.82Å; A67-L174 HydrophobicContact CB-CD2 3.77Å; A67-L174 HydrophobicContact CB-CG 4.46Å
68	Q	97.3	Very high	89.2	Confident	53 Å²	53	49.1 Å²	49.1	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	108.4	168.3	-77.1	-171.3	-15.5	0	0	109	L16 F17 K18 V19 F53	L16-Q68 HydrophobicContact CD1-CG 3.78Å; L16-Q68 HydrophobicContact CG-CG 4.49Å; F17-Q68 PolarHBondContact O-N 2.87Å; K18-Q68 WeakPolarHBondContact CA-O 3.43Å; V19-Q68 PolarHBondContact N-O 2.97Å; F53-Q68 HydrophobicContact CE2-CB 3.8Å; F53-Q68 HydrophobicContact CE2-CG 3.81Å; F53-Q68 HydrophobicContact CZ-CB 4.39Å; F53-Q68 HydrophobicContact CZ-CG 3.92Å
69	I	97.1	Very high	87.8	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.5	-174.1	-52	163.8	0	0	0	109.1	V19 L21 L33 F36 T37 A54 A67 F170	V19-I69 HydrophobicContact CB-CG1 4.46Å; V19-I69 WeakPolarHBondContact O-CA 3.35Å; L21-I69 HydrophobicContact CD1-CG2 4.11Å; L21-I69 HydrophobicContact CD2-CG2 4.02Å; L21-I69 HydrophobicContact CG-CG2 3.87Å; L33-I69 HydrophobicContact CD1-CB 3.64Å; L33-I69 HydrophobicContact CD1-CD1 4.21Å; L33-I69 HydrophobicContact CD1-CG2 3.51Å; F36-I69 HydrophobicContact CD1-CD1 3.53Å; F36-I69 HydrophobicContact CE1-CD1 3.55Å; T37-I69 HydrophobicContact CG2-CD1 4.49Å; A54-I69 PolarHBondContact N-O 2.83Å; A54-I69 PolarHBondContact O-N 3.05Å; A67-I69 HydrophobicContact CB-CD1 4.42Å; A67-I69 HydrophobicContact CB-CG1 4.26Å; I69-F170 HydrophobicContact CD1-CD1 3.83Å; I69-F170 HydrophobicContact CD1-CE1 3.65Å; I69-F170 HydrophobicContact CG1-CE1 4.33Å; I69-F170 HydrophobicContact CG2-CE1 4Å
70	W	94.9	Very high	86.6	Confident	42 Å²	42	49.3 Å²	49.3	16%	0.159	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.5	-178.4	-60.3	79.2	0	0	0	109.2	V19 V20 L21 V51 E52 F53 Y85	V19-W70 PolarHBondContact O-N 2.89Å; V20-W70 HydrophobicContact CG1-CB 4.23Å; L21-W70 PolarHBondContact N-O 2.82Å; V51-W70 HydrophobicContact CG1-CB 4.32Å; V51-W70 HydrophobicContact CG1-CE3 3.74Å; E52-W70 CarbonylContact O-C 3.58Å; E52-W70 WeakPolarHBondContact O-CA 3.38Å; F53-W70 HydrophobicContact CB-CE3 4.24Å; F53-W70 HydrophobicContact CB-CZ3 4.31Å; F53-W70 AromaticContact CD2-CD2 3.79Å; F53-W70 HydrophobicContact CD2-CD2 3.79Å; F53-W70 AromaticContact CD2-CE2 3.57Å; F53-W70 HydrophobicContact CD2-CE3 4.06Å; F53-W70 HydrophobicContact CD2-CG 4.35Å; F53-W70 HydrophobicContact CD2-CH2 4.05Å; F53-W70 AromaticContact CD2-CZ2 3.73Å; F53-W70 HydrophobicContact CD2-CZ2 3.73Å; F53-W70 HydrophobicContact CD2-CZ3 4.19Å; F53-W70 AromaticContact CD2-NE1 3.94Å; F53-W70 AromaticContact CE2-CE2 3.87Å; F53-W70 AromaticContact CE2-CZ2 3.88Å; F53-W70 HydrophobicContact CE2-CZ2 3.88Å; F53-W70 AromaticContact CE2-NE1 3.96Å; W70-Y85 HydrophobicContact CD2-CD1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.5Å; W70-Y85 HydrophobicContact CE3-CD1 3.5Å; W70-Y85 VanDerWaalsContact CE3-CD1 3.5Å; W70-Y85 AromaticContact CE3-CE1 3.64Å; W70-Y85 HydrophobicContact CE3-CE1 3.64Å; W70-Y85 AromaticContact CZ3-CD1 3.8Å; W70-Y85 HydrophobicContact CZ3-CD1 3.8Å; W70-Y85 AromaticContact CZ3-CE1 3.55Å; W70-Y85 HydrophobicContact CZ3-CE1 3.55Å
71	D	91.9	Very high	85.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.7	170.9	175.5	39.7	0	0	0	110.2	L21 K29 S30 L33 V51 E52	L21-D71 HydrophobicContact CD1-CB 4.23Å; K29-D71 WeakPolarHBondContact CB-OD1 3.36Å; S30-D71 VanDerWaalsContact CA-OD2 3.3Å; S30-D71 WeakPolarHBondContact CA-OD2 3.5Å; S30-D71 VanDerWaalsContact CB-OD2 3.23Å; S30-D71 WeakPolarHBondContact CB-OD2 3.43Å; S30-D71 PolarHBondContact N-OD2 2.92Å; S30-D71 PolarHBondContact OG-OD2 3.29Å; L33-D71 HydrophobicContact CD2-CB 3.64Å; V51-D71 CarbonylContact C-O 3.26Å; V51-D71 VanDerWaalsContact CA-O 3.28Å; V51-D71 WeakPolarHBondContact CA-O 3.23Å; V51-D71 VanDerWaalsContact CG1-O 3.32Å; V51-D71 WeakPolarHBondContact CG1-O 3.26Å; E52-D71 HydrophobicContact CB-CB 4.19Å; E52-D71 PolarHBondContact N-O 3.29Å; E52-D71 PolarHBondContact O-N 3.03Å
72	T	85.5	Confident	84.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.7	-175.1	66.2	0	0	0	0	112.2	L21 K29 G74 T82	L21-T72 PolarHBondContact O-N 3.43Å; L21-T72 PolarHBondContact O-OG1 2.82Å; K29-T72 WeakPolarHBondContact CE-O 3.22Å; K29-T72 PolarHBondContact NZ-O 2.92Å; T72-G74 PolarHBondContact O-N 3.14Å; T72-T82 HydrophobicContact CG2-CG2 3.85Å
73	A	82.7	Confident	83.7	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-61.6	126.2	169.5	0	0	0	0	0	110.9	T48 G50 Q75 Y78	T48-A73 WeakPolarHBondContact O-CB 3.35Å; G50-A73 WeakPolarHBondContact O-CB 3.2Å; G50-A73 PolarHBondContact O-N 2.94Å; A73-Q75 VanDerWaalsContact C-N 3.29Å; A73-Q75 PolarHBondContact O-N 2.91Å; A73-Y78 HydrophobicContact CB-CD2 3.7Å; A73-Y78 HydrophobicContact CB-CG 4.28Å
74	G	74.8	Confident	83.1	Confident	9 Å²	9	44 Å²	44	9%	0.093	23%	0.227	C	C	.	.			trans	-87.4	14	178.7	0	0	0	0	0	114.6	G23 S25 T72	G23-G74 VanDerWaalsContact O-CA 3.28Å; G23-G74 WeakPolarHBondContact O-CA 2.92Å; S25-G74 PolarHBondContact N-O 2.91Å; T72-G74 PolarHBondContact O-N 3.14Å
75	Q	75.8	Confident	82.6	Confident	47 Å²	47	44.4 Å²	44.4	22%	0.22	23%	0.225	C	C	.	.			trans	-91	138.6	176.9	-68	-170.6	23.5	0	0	110.6	A73 R77 Y78	A73-Q75 VanDerWaalsContact C-N 3.29Å; A73-Q75 PolarHBondContact O-N 2.91Å; Q75-R77 VanDerWaalsContact C-N 3.27Å; Q75-R77 PolarHBondContact O-N 3.03Å; Q75-Y78 HydrophobicContact CB-CD2 3.91Å; Q75-Y78 HydrophobicContact CB-CE2 4.35Å; Q75-Y78 PolarHBondContact O-N 3.36Å
76	E	64.2	Low	82.4	Confident	121 Å²	121	44.4 Å²	44.4	57%	0.565	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-53.5	-42.8	179.8	-165.8	-78.3	162.3	0	0	112.8	Y78 R79	E76-Y78 PolarHBondContact O-N 3.29Å; E76-R79 WeakPolarHBondContact O-CB 3.28Å; E76-R79 VanDerWaalsContact O-CG 3.29Å; E76-R79 WeakPolarHBondContact O-CG 3.36Å; E76-R79 PolarHBondContact O-N 3.47Å; E76-R79 IonicContact OE1-NH1 3.7Å
77	R	71	Confident	82	Confident	188 Å²	188	51.3 Å²	51.3	71%	0.709	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-59.8	-14.8	179.4	-65.1	-174.9	-64.3	168.4	1.4	114.7	Q75	Q75-R77 VanDerWaalsContact C-N 3.27Å; Q75-R77 PolarHBondContact O-N 3.03Å
78	Y	74.2	Confident	81.7	Confident	59 Å²	59	51.7 Å²	51.7	23%	0.231	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-106.6	3.2	178.2	-58.5	-50.2	0	0	0	113.8	A73 Q75 E76 A80 I81 T82	A73-Y78 HydrophobicContact CB-CD2 3.7Å; A73-Y78 HydrophobicContact CB-CG 4.28Å; Q75-Y78 HydrophobicContact CB-CD2 3.91Å; Q75-Y78 HydrophobicContact CB-CE2 4.35Å; Q75-Y78 PolarHBondContact O-N 3.36Å; E76-Y78 PolarHBondContact O-N 3.29Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 3.03Å; Y78-I81 HydrophobicContact CD1-CD1 4.29Å; Y78-I81 WeakPolarHBondContact O-CA 3.23Å; Y78-I81 WeakPolarHBondContact O-CB 3.39Å; Y78-I81 PolarHBondContact O-N 3.37Å; Y78-T82 PolarHBondContact O-N 3.46Å; Y78-T82 PolarHBondContact O-OG1 3.32Å
79	R	68.6	Low	81.6	Confident	79 Å²	79	49.1 Å²	49.1	30%	0.298	24%	0.242	S	C	.	.	H	α-helix	trans	-52.9	-41.6	-177.9	-79.8	177.7	176.4	173.3	-1.5	114.3	E76 I81 T82 A83 E113	E76-R79 WeakPolarHBondContact O-CB 3.28Å; E76-R79 VanDerWaalsContact O-CG 3.29Å; E76-R79 WeakPolarHBondContact O-CG 3.36Å; E76-R79 PolarHBondContact O-N 3.47Å; E76-R79 IonicContact OE1-NH1 3.7Å; R79-I81 PolarHBondContact O-N 2.85Å; R79-T82 WeakPolarHBondContact O-CB 3.29Å; R79-T82 PolarHBondContact O-N 2.97Å; R79-A83 PolarHBondContact O-N 3.27Å; R79-E113 WeakPolarHBondContact CD-OE2 3.44Å; R79-E113 IonicContact NE-OE2 3.65Å
80	A	71.1	Confident	81.6	Confident	94 Å²	94	50.9 Å²	50.9	78%	0.777	25%	0.252	S	S	*	.	H	α-helix	trans	-60.8	-32.9	177.9	0	0	0	0	0	112.7	Y78	Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 3.03Å
81	I	70.6	Confident	81.7	Confident	79 Å²	79	48.9 Å²	48.9	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-75.1	-41.2	175.1	-63.5	173.2	0	0	0	109.4	Y78 R79 A83 A84 Y85	Y78-I81 HydrophobicContact CD1-CD1 4.29Å; Y78-I81 WeakPolarHBondContact O-CA 3.23Å; Y78-I81 WeakPolarHBondContact O-CB 3.39Å; Y78-I81 PolarHBondContact O-N 3.37Å; R79-I81 PolarHBondContact O-N 2.85Å; I81-A83 PolarHBondContact O-N 3.04Å; I81-A84 WeakPolarHBondContact O-CB 3.47Å; I81-A84 PolarHBondContact O-N 2.93Å; I81-Y85 HydrophobicContact CG2-CE2 3.74Å; I81-Y85 WeakPolarHBondContact O-CD2 3.48Å; I81-Y85 WeakPolarHBondContact O-CE2 3.38Å
82	T	74.2	Confident	82	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-41.2	-178.9	-50.7	0	0	0	0	113	T72 Y78 R79 A84 Y85 Y86	T72-T82 HydrophobicContact CG2-CG2 3.85Å; Y78-T82 PolarHBondContact O-N 3.46Å; Y78-T82 PolarHBondContact O-OG1 3.32Å; R79-T82 WeakPolarHBondContact O-CB 3.29Å; R79-T82 PolarHBondContact O-N 2.97Å; T82-A84 PolarHBondContact O-N 3.47Å; T82-A84 VanDerWaalsContact O-N 3.15Å; T82-Y85 WeakPolarHBondContact O-CB 3.29Å; T82-Y85 PolarHBondContact O-N 3.49Å; T82-Y86 HydrophobicContact CG2-CE1 3.61Å; T82-Y86 HydrophobicContact CG2-CE2 4.4Å; T82-Y86 VanDerWaalsContact CG2-CZ 3.5Å; T82-Y86 WeakPolarHBondContact CG2-OH 3.08Å
83	A	78	Confident	82.6	Confident	20 Å²	20	49 Å²	49	17%	0.165	25%	0.245	C	C	.	.	H	α-helix	trans	-56.1	-34	-179.9	0	0	0	0	0	113.5	R79 I81 Y85 Y86	R79-A83 PolarHBondContact O-N 3.27Å; I81-A83 PolarHBondContact O-N 3.04Å; A83-Y85 PolarHBondContact O-N 3.05Å; A83-Y86 PolarHBondContact O-N 3.19Å
84	A	84.2	Confident	83.4	Confident	62 Å²	62	48.9 Å²	48.9	51%	0.512	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-27.2	177.4	0	0	0	0	0	112.8	I81 T82	I81-A84 WeakPolarHBondContact O-CB 3.47Å; I81-A84 PolarHBondContact O-N 2.93Å; T82-A84 PolarHBondContact O-N 3.47Å; T82-A84 VanDerWaalsContact O-N 3.15Å
85	Y	86.9	Confident	84.5	Confident	46 Å²	46	48.5 Å²	48.5	18%	0.18	24%	0.24	C	C	.	.	H	α-helix	trans	-82.5	-17.7	-179.5	-65.1	-87.1	0	0	0	113.1	K18 V51 W70 I81 T82 A83 R87	K18-Y85 WeakPolarHBondContact CE-O 3.48Å; K18-Y85 PolarHBondContact NZ-O 3.38Å; V51-Y85 HydrophobicContact CB-CE1 3.98Å; V51-Y85 HydrophobicContact CB-CE2 4.22Å; V51-Y85 HydrophobicContact CG1-CD1 3.96Å; V51-Y85 HydrophobicContact CG1-CE1 3.8Å; V51-Y85 HydrophobicContact CG1-CG 4.42Å; V51-Y85 HydrophobicContact CG2-CD1 4.3Å; V51-Y85 HydrophobicContact CG2-CD2 3.71Å; V51-Y85 HydrophobicContact CG2-CE1 3.96Å; V51-Y85 HydrophobicContact CG2-CE2 3.34Å; V51-Y85 HydrophobicContact CG2-CG 4.17Å; V51-Y85 VanDerWaalsContact CG2-CZ 3.46Å; W70-Y85 HydrophobicContact CD2-CD1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.5Å; W70-Y85 HydrophobicContact CE3-CD1 3.5Å; W70-Y85 VanDerWaalsContact CE3-CD1 3.5Å; W70-Y85 AromaticContact CE3-CE1 3.64Å; W70-Y85 HydrophobicContact CE3-CE1 3.64Å; W70-Y85 AromaticContact CZ3-CD1 3.8Å; W70-Y85 HydrophobicContact CZ3-CD1 3.8Å; W70-Y85 AromaticContact CZ3-CE1 3.55Å; W70-Y85 HydrophobicContact CZ3-CE1 3.55Å; I81-Y85 HydrophobicContact CG2-CE2 3.74Å; I81-Y85 WeakPolarHBondContact O-CD2 3.48Å; I81-Y85 WeakPolarHBondContact O-CE2 3.38Å; T82-Y85 WeakPolarHBondContact O-CB 3.29Å; T82-Y85 PolarHBondContact O-N 3.49Å; A83-Y85 PolarHBondContact O-N 3.05Å; Y85-R87 VanDerWaalsContact C-N 3.33Å
86	Y	91.4	Very high	85.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.1	-29.1	177.4	-58.8	-24	0	0	0	112.9	V20 I22 T82 A83 G88 A89 E113 L114 H117	V20-Y86 HydrophobicContact CG2-CD1 4.29Å; I22-Y86 HydrophobicContact CG2-CD1 4.43Å; I22-Y86 HydrophobicContact CG2-CE1 3.46Å; I22-Y86 VanDerWaalsContact CG2-CE1 3.46Å; T82-Y86 HydrophobicContact CG2-CE1 3.61Å; T82-Y86 HydrophobicContact CG2-CE2 4.4Å; T82-Y86 VanDerWaalsContact CG2-CZ 3.5Å; T82-Y86 WeakPolarHBondContact CG2-OH 3.08Å; A83-Y86 PolarHBondContact O-N 3.19Å; Y86-G88 PolarHBondContact O-N 2.96Å; Y86-A89 VanDerWaalsContact O-CB 3.25Å; Y86-A89 WeakPolarHBondContact O-CB 3.38Å; Y86-A89 PolarHBondContact O-N 2.88Å; Y86-E113 HydrophobicContact CE2-CB 4.44Å; Y86-E113 HydrophobicContact CE2-CG 3.92Å; Y86-E113 WeakPolarHBondContact CE2-OE1 3.45Å; Y86-E113 PolarHBondContact OH-OE1 3.47Å; Y86-L114 HydrophobicContact CD1-CD1 3.78Å; Y86-L114 HydrophobicContact CD2-CD1 4.38Å; Y86-L114 HydrophobicContact CE1-CD1 4.18Å; Y86-L114 HydrophobicContact CG-CD1 3.9Å; Y86-H117 HydrophobicContact CD2-CB 3.79Å; Y86-H117 HydrophobicContact CG-CB 4.37Å
87	R	90	Very high	87.3	Confident	176 Å²	176	40.5 Å²	40.5	66%	0.664	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	127.1	179.7	-175.1	174.7	-179.6	155.8	1.9	111.4	K18 Y85 A89	K18-R87 PolarHBondContact NZ-O 3.07Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; R87-A89 PolarHBondContact O-N 3.38Å
88	G	91.7	Very high	88.6	Confident	7 Å²	7	31.6 Å²	31.6	7%	0.072	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	8.6	-178.9	0	0	0	0	0	114.9	Y86	Y86-G88 PolarHBondContact O-N 2.96Å
89	A	95.4	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.			trans	-70.1	129.1	167.4	0	0	0	0	0	109.1	K18 V20 Y86 R87 I122	K18-A89 HydrophobicContact CG-CB 4.35Å; V20-A89 HydrophobicContact CG1-CB 3.85Å; V20-A89 HydrophobicContact CG2-CB 4.16Å; Y86-A89 VanDerWaalsContact O-CB 3.25Å; Y86-A89 WeakPolarHBondContact O-CB 3.38Å; Y86-A89 PolarHBondContact O-N 2.88Å; R87-A89 PolarHBondContact O-N 3.38Å; A89-I122 HydrophobicContact CB-CD1 4.06Å
90	V	96.3	Very high	91.1	Very high	38 Å²	38	31.2 Å²	31.2	23%	0.23	17%	0.173	C	C	.	.	S	Bend	trans	-99.6	-13.8	178	-64.4	0	0	0	0	111.9	F17 K18 V123 I177	F17-V90 HydrophobicContact CB-CG2 3.93Å; F17-V90 HydrophobicContact CD1-CG2 4.26Å; F17-V90 HydrophobicContact CG-CG2 4.22Å; K18-V90 WeakPolarHBondContact O-CG2 3.44Å; K18-V90 PolarHBondContact O-N 2.86Å; V90-V123 PolarHBondContact O-N 2.99Å; V90-I177 HydrophobicContact CB-CG2 4.15Å; V90-I177 HydrophobicContact CG2-CD1 4.2Å; V90-I177 HydrophobicContact CG2-CG2 3.83Å
91	G	97.8	Very high	92.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.5	166.7	0	0	0	0	0	114.5	K18 V19 V20 V123	K18-G91 PolarHBondContact O-N 3.39Å; V19-G91 VanDerWaalsContact CA-O 3.28Å; V19-G91 WeakPolarHBondContact CA-O 3.19Å; V20-G91 PolarHBondContact N-O 3.49Å; G91-V123 CarbonylContact C-O 3.58Å; G91-V123 WeakPolarHBondContact CA-O 3.32Å
92	A	98	Very high	93.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.9	175	0	0	0	0	0	112.3	V20 L114 I122 V123 I124 M125 I173	V20-A92 HydrophobicContact CG2-CB 3.7Å; V20-A92 VanDerWaalsContact O-CA 3.29Å; V20-A92 WeakPolarHBondContact O-CA 3.48Å; A92-L114 HydrophobicContact CB-CD1 4.26Å; A92-L114 HydrophobicContact CB-CD2 3.46Å; A92-L114 VanDerWaalsContact CB-CD2 3.46Å; A92-I122 HydrophobicContact CB-CD1 4Å; A92-V123 PolarHBondContact N-O 3.4Å; A92-I124 HydrophobicContact CB-CG1 4.45Å; A92-I124 WeakPolarHBondContact O-CA 3.27Å; A92-M125 PolarHBondContact O-N 2.66Å; A92-I173 VanDerWaalsContact O-CD1 3.27Å; A92-I173 WeakPolarHBondContact O-CD1 3.42Å
93	L	98.6	Very high	94.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.8	160.5	-58.9	-173	0	0	0	108.5	V20 L21 I22 V95 M125 V127 F170 I173	V20-L93 PolarHBondContact O-N 2.97Å; L21-L93 HydrophobicContact CD2-CB 3.69Å; L21-L93 HydrophobicContact CD2-CD1 3.7Å; L21-L93 HydrophobicContact CD2-CG 3.87Å; I22-L93 PolarHBondContact N-O 2.93Å; L93-V95 HydrophobicContact CB-CG2 4.18Å; L93-M125 WeakPolarHBondContact CA-O 3.42Å; L93-M125 HydrophobicContact CD2-CB 3.8Å; L93-M125 HydrophobicContact CD2-CG 4.25Å; L93-M125 HydrophobicContact CD2-SD 4.04Å; L93-V127 HydrophobicContact CB-CG2 4.21Å; L93-V127 HydrophobicContact CD1-CG2 4.44Å; L93-V127 HydrophobicContact CD2-CG2 3.99Å; L93-V127 HydrophobicContact CG-CG2 4.45Å; L93-F170 HydrophobicContact CD1-CD1 4.02Å; L93-F170 HydrophobicContact CD1-CD2 4.38Å; L93-F170 HydrophobicContact CD1-CE1 3.64Å; L93-F170 HydrophobicContact CD1-CE2 4.04Å; L93-F170 HydrophobicContact CD1-CG 4.38Å; L93-F170 HydrophobicContact CD1-CZ 3.66Å; L93-I173 HydrophobicContact CD2-CB 4.31Å; L93-I173 HydrophobicContact CD2-CD1 3.71Å; L93-I173 HydrophobicContact CD2-CG2 4.1Å; L93-I173 HydrophobicContact CG-CD1 4.48Å
94	L	98.3	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107.3	174.2	174.4	61.3	0	0	0	108.3	I22 L107 W110 L111 I124 M125 L126 V127 W147 L153	I22-L94 HydrophobicContact CD1-CB 4.43Å; I22-L94 HydrophobicContact CD1-CD1 3.81Å; I22-L94 HydrophobicContact CG1-CB 4.21Å; I22-L94 HydrophobicContact CG1-CD1 3.74Å; L94-L107 HydrophobicContact CD1-CD2 3.72Å; L94-L107 HydrophobicContact CD2-CB 4.48Å; L94-L107 HydrophobicContact CD2-CD2 3.83Å; L94-L107 HydrophobicContact CG-CD2 3.52Å; L94-W110 HydrophobicContact CD1-CB 3.54Å; L94-W110 HydrophobicContact CD1-CG 4.34Å; L94-L111 HydrophobicContact CD2-CB 4.19Å; L94-I124 HydrophobicContact CB-CG2 4.32Å; L94-M125 PolarHBondContact N-O 2.99Å; L94-L126 HydrophobicContact CD2-CD1 4.3Å; L94-L126 HydrophobicContact CG-CD1 4.19Å; L94-L126 CarbonylContact O-C 3.46Å; L94-L126 WeakPolarHBondContact O-CA 3.46Å; L94-V127 PolarHBondContact O-N 2.88Å; L94-W147 HydrophobicContact CD2-CH2 3.97Å; L94-W147 HydrophobicContact CD2-CZ3 4.13Å; L94-L153 HydrophobicContact CD2-CD1 4.32Å
95	V	98.7	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.2	-165.6	-168.3	0	0	0	0	111.5	I22 V27 K29 L32 L93 V127 N129	I22-V95 PolarHBondContact O-N 2.95Å; V27-V95 HydrophobicContact CB-CG1 4.26Å; V27-V95 HydrophobicContact CG2-CB 3.9Å; V27-V95 HydrophobicContact CG2-CG1 3.77Å; K29-V95 HydrophobicContact CG-CB 4.13Å; K29-V95 HydrophobicContact CG-CG2 4.17Å; L32-V95 HydrophobicContact CD1-CG1 3.86Å; L32-V95 HydrophobicContact CD1-CG2 4.15Å; L93-V95 HydrophobicContact CB-CG2 4.18Å; V95-V127 WeakPolarHBondContact CA-O 3.47Å; V95-V127 HydrophobicContact CG2-CB 4.32Å; V95-N129 HydrophobicContact CG1-CB 3.87Å
96	Y	98.7	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	164.1	167.6	75.2	-78.3	0	0	0	111.3	I98 F104 L107 L126 V127 G128 N129 I139 A144 F155	Y96-I98 HydrophobicContact CE2-CB 4.46Å; Y96-I98 HydrophobicContact CE2-CG2 3.92Å; Y96-F104 HydrophobicContact CD1-CD2 4.24Å; Y96-F104 HydrophobicContact CD2-CB 4.01Å; Y96-F104 AromaticContact CD2-CD2 3.84Å; Y96-F104 HydrophobicContact CD2-CD2 3.84Å; Y96-F104 HydrophobicContact CD2-CG 4.42Å; Y96-F104 HydrophobicContact CE1-CD2 4.18Å; Y96-F104 HydrophobicContact CE1-CE2 4.49Å; Y96-F104 AromaticContact CE2-CD2 3.78Å; Y96-F104 HydrophobicContact CE2-CD2 3.78Å; Y96-F104 HydrophobicContact CG-CB 4.47Å; Y96-F104 HydrophobicContact CG-CD2 4.08Å; Y96-F104 AromaticContact CZ-CD2 3.98Å; Y96-L107 HydrophobicContact CD1-CD1 4.17Å; Y96-L107 HydrophobicContact CD1-CD2 4.5Å; Y96-L107 HydrophobicContact CG-CD1 4.4Å; Y96-L126 HydrophobicContact CD1-CD1 3.73Å; Y96-L126 HydrophobicContact CD1-CG 4.23Å; Y96-L126 HydrophobicContact CE1-CD1 4Å; Y96-L126 HydrophobicContact CE1-CD2 4.11Å; Y96-L126 HydrophobicContact CE1-CG 3.99Å; Y96-V127 WeakPolarHBondContact CD1-O 3.32Å; Y96-V127 PolarHBondContact N-O 3.3Å; Y96-G128 VanDerWaalsContact CZ-CA 3.44Å; Y96-N129 PolarHBondContact O-N 3.02Å; Y96-I139 HydrophobicContact CD2-CD1 4.48Å; Y96-I139 HydrophobicContact CE2-CB 4.08Å; Y96-I139 HydrophobicContact CE2-CD1 4.36Å; Y96-I139 HydrophobicContact CE2-CG1 4.16Å; Y96-I139 HydrophobicContact CE2-CG2 4.15Å; Y96-A144 HydrophobicContact CE1-CB 4.25Å; Y96-A144 WeakPolarHBondContact OH-CB 3.3Å; Y96-F155 HydrophobicContact CE1-CE2 4.36Å
97	D	98.6	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.1	175.2	-179.3	-21.3	0	0	0	109.1	V27 T99 K100 T103 K130	V27-D97 HydrophobicContact CB-CB 4.34Å; V27-D97 HydrophobicContact CG1-CB 4.22Å; D97-T99 VanDerWaalsContact CG-OG1 3.28Å; D97-T99 PolarHBondContact O-N 3.25Å; D97-T99 WeakPolarHBondContact OD1-CB 3.33Å; D97-T99 PolarHBondContact OD1-N 3.47Å; D97-T99 PolarHBondContact OD1-OG1 2.95Å; D97-T99 PolarHBondContact OD2-OG1 3.46Å; D97-K100 HydrophobicContact CB-CB 4.16Å; D97-K100 HydrophobicContact CB-CD 4.43Å; D97-K100 HydrophobicContact CB-CG 4.32Å; D97-K100 PolarHBondContact O-N 2.99Å; D97-T103 HydrophobicContact CB-CG2 4.38Å; D97-T103 PolarHBondContact N-OG1 3.02Å; D97-T103 PolarHBondContact O-OG1 2.7Å; D97-K130 WeakPolarHBondContact OD2-CD 3.39Å; D97-K130 WeakPolarHBondContact OD2-CE 3.43Å; D97-K130 IonicContact OD2-NZ 3.9Å; D97-K130 PolarHBondContact OD2-NZ 2.74Å
98	I	98.7	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.1	-177.9	65.9	144.8	0	0	0	114	Y96 N129 K130 C131 R137 T138 I139	Y96-I98 HydrophobicContact CE2-CB 4.46Å; Y96-I98 HydrophobicContact CE2-CG2 3.92Å; I98-N129 WeakPolarHBondContact CG1-O 3.37Å; I98-N129 WeakPolarHBondContact CG2-O 3.07Å; I98-N129 PolarHBondContact N-O 3.14Å; I98-K130 WeakPolarHBondContact CD1-O 3.08Å; I98-K130 WeakPolarHBondContact CG1-O 3.46Å; I98-C131 HydrophobicContact CD1-CB 4.46Å; I98-R137 HydrophobicContact CD1-CB 4.16Å; I98-R137 HydrophobicContact CD1-CG 4.29Å; I98-T138 PolarHBondContact O-N 3.19Å; I98-I139 WeakPolarHBondContact O-CD1 3.24Å; I98-I139 PolarHBondContact O-N 3.38Å
99	T	98.4	Very high	97.8	Very high	25 Å²	25	36.8 Å²	36.8	15%	0.153	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.2	178.6	72.9	0	0	0	0	112.6	D97 L133 L136 T138	D97-T99 VanDerWaalsContact CG-OG1 3.28Å; D97-T99 PolarHBondContact O-N 3.25Å; D97-T99 WeakPolarHBondContact OD1-CB 3.33Å; D97-T99 PolarHBondContact OD1-N 3.47Å; D97-T99 PolarHBondContact OD1-OG1 2.95Å; D97-T99 PolarHBondContact OD2-OG1 3.46Å; T99-L133 HydrophobicContact CG2-CB 3.56Å; T99-L133 HydrophobicContact CG2-CD1 3.83Å; T99-L133 HydrophobicContact CG2-CG 4.34Å; T99-L136 WeakPolarHBondContact CA-O 3.39Å; T99-L136 WeakPolarHBondContact CB-O 3.46Å; T99-L136 HydrophobicContact CG2-CB 3.7Å; T99-T138 WeakPolarHBondContact O-CG2 3.42Å; T99-T138 PolarHBondContact O-OG1 3.27Å
100	K	98	Very high	97.8	Very high	105 Å²	105	36.9 Å²	36.9	46%	0.457	18%	0.175	S	C	.	.			trans	-122.2	97.5	-175.3	-61	-176.1	-178.5	-175.4	0	112.2	D97 E102 T103 T138	D97-K100 HydrophobicContact CB-CB 4.16Å; D97-K100 HydrophobicContact CB-CD 4.43Å; D97-K100 HydrophobicContact CB-CG 4.32Å; D97-K100 PolarHBondContact O-N 2.99Å; K100-E102 PolarHBondContact O-N 2.87Å; K100-E102 VanDerWaalsContact O-N 3.13Å; K100-T103 HydrophobicContact CB-CG2 3.77Å; K100-T103 HydrophobicContact CD-CG2 4.25Å; K100-T103 PolarHBondContact O-N 3.23Å; K100-T103 PolarHBondContact O-OG1 2.94Å; K100-T138 PolarHBondContact N-OG1 2.94Å
101	R	98.3	Very high	97.8	Very high	98 Å²	98	35.2 Å²	35.2	37%	0.37	17%	0.165	S	C	.	.	H	α-helix	trans	-49.3	-38.9	176.7	-176.4	64.6	70.1	168.5	10.8	114	T103 F104 N105 T138 I139	R101-T103 VanDerWaalsContact C-N 3.29Å; R101-T103 PolarHBondContact O-N 2.92Å; R101-F104 WeakPolarHBondContact O-CB 3.23Å; R101-F104 PolarHBondContact O-N 3.41Å; R101-F104 VanDerWaalsContact O-N 3.09Å; R101-N105 PolarHBondContact O-N 2.86Å; R101-N105 PolarHBondContact O-OD1 2.81Å; R101-T138 PolarHBondContact N-OG1 3.16Å; R101-T138 PolarHBondContact NE-O 2.79Å; R101-T138 PolarHBondContact NH2-O 3.26Å; R101-I139 HydrophobicContact CB-CD1 4.41Å
102	E	97.9	Very high	97.6	Very high	140 Å²	140	41.1 Å²	41.1	65%	0.654	20%	0.196	S	C	*	.	H	α-helix	trans	-57.2	-41.7	178.3	-173.2	179	-175.5	0	0	112.5	K100 F104 N105 N106	K100-E102 PolarHBondContact O-N 2.87Å; K100-E102 VanDerWaalsContact O-N 3.13Å; E102-F104 PolarHBondContact O-N 3.48Å; E102-N105 PolarHBondContact O-N 3.3Å; E102-N105 VanDerWaalsContact O-N 3.09Å; E102-N106 PolarHBondContact O-N 2.81Å; E102-N106 PolarHBondContact O-ND2 2.93Å
103	T	97.9	Very high	97.4	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-25.8	179.8	70.6	0	0	0	0	112.7	D24 V27 D97 K100 R101	D24-T103 HydrophobicContact CB-CG2 4Å; D24-T103 WeakPolarHBondContact OD2-CA 3.48Å; V27-T103 HydrophobicContact CG1-CG2 3.77Å; D97-T103 HydrophobicContact CB-CG2 4.38Å; D97-T103 PolarHBondContact N-OG1 3.02Å; D97-T103 PolarHBondContact O-OG1 2.7Å; K100-T103 HydrophobicContact CB-CG2 3.77Å; K100-T103 HydrophobicContact CD-CG2 4.25Å; K100-T103 PolarHBondContact O-N 3.23Å; K100-T103 PolarHBondContact O-OG1 2.94Å; R101-T103 VanDerWaalsContact C-N 3.29Å; R101-T103 PolarHBondContact O-N 2.92Å
104	F	98.7	Very high	97.2	Very high	21 Å²	21	42.7 Å²	42.7	9%	0.092	20%	0.203	C	C	.	.	H	α-helix	trans	-78.6	-40.9	172.2	-175.2	-93.9	0	0	0	111.7	Y96 R101 E102 N106 L107 I139 A144 W147	Y96-F104 HydrophobicContact CD1-CD2 4.24Å; Y96-F104 HydrophobicContact CD2-CB 4.01Å; Y96-F104 AromaticContact CD2-CD2 3.84Å; Y96-F104 HydrophobicContact CD2-CD2 3.84Å; Y96-F104 HydrophobicContact CD2-CG 4.42Å; Y96-F104 HydrophobicContact CE1-CD2 4.18Å; Y96-F104 HydrophobicContact CE1-CE2 4.49Å; Y96-F104 AromaticContact CE2-CD2 3.78Å; Y96-F104 HydrophobicContact CE2-CD2 3.78Å; Y96-F104 HydrophobicContact CG-CB 4.47Å; Y96-F104 HydrophobicContact CG-CD2 4.08Å; Y96-F104 AromaticContact CZ-CD2 3.98Å; R101-F104 WeakPolarHBondContact O-CB 3.23Å; R101-F104 PolarHBondContact O-N 3.41Å; R101-F104 VanDerWaalsContact O-N 3.09Å; E102-F104 PolarHBondContact O-N 3.48Å; F104-N106 PolarHBondContact O-N 3.12Å; F104-L107 HydrophobicContact CB-CD1 4.4Å; F104-L107 HydrophobicContact CD2-CD1 3.35Å; F104-L107 HydrophobicContact CE2-CD1 3.63Å; F104-L107 HydrophobicContact CG-CD1 3.92Å; F104-L107 HydrophobicContact CZ-CD1 4.41Å; F104-L107 VanDerWaalsContact O-CB 3.24Å; F104-L107 WeakPolarHBondContact O-CB 3.3Å; F104-L107 WeakPolarHBondContact O-CD1 3.38Å; F104-L107 WeakPolarHBondContact O-CG 3.36Å; F104-L107 PolarHBondContact O-N 2.96Å; F104-L107 VanDerWaalsContact O-N 3.16Å; F104-I139 HydrophobicContact CB-CD1 4.16Å; F104-I139 HydrophobicContact CB-CG1 3.73Å; F104-I139 HydrophobicContact CD1-CG1 4.47Å; F104-I139 HydrophobicContact CD2-CG1 4.25Å; F104-I139 HydrophobicContact CD2-CG2 3.93Å; F104-I139 HydrophobicContact CE2-CG2 4.06Å; F104-I139 HydrophobicContact CG-CG1 3.9Å; F104-I139 HydrophobicContact CG-CG2 4.2Å; F104-I139 HydrophobicContact CZ-CG2 4.41Å; F104-A144 HydrophobicContact CE2-CB 3.72Å; F104-A144 HydrophobicContact CZ-CB 4.4Å; F104-W147 HydrophobicContact CE2-CB 4.43Å; F104-W147 HydrophobicContact CZ-CB 3.75Å; F104-W147 AromaticContact CZ-CG 3.88Å; F104-W147 HydrophobicContact CZ-CG 3.88Å
105	N	98.2	Very high	97	Very high	97 Å²	97	48.7 Å²	48.7	52%	0.519	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-32.1	177	-65.1	-9.5	0	0	0	111.9	R101 E102 L107	R101-N105 PolarHBondContact O-N 2.86Å; R101-N105 PolarHBondContact O-OD1 2.81Å; E102-N105 PolarHBondContact O-N 3.3Å; E102-N105 VanDerWaalsContact O-N 3.09Å; N105-L107 VanDerWaalsContact C-N 3.26Å; N105-L107 PolarHBondContact O-N 2.92Å
106	N	97.2	Very high	96.7	Very high	39 Å²	39	51.5 Å²	51.5	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.8	178.8	-69.1	-22.6	0	0	0	114	D24 E102 F104 E108 H109 W110	D24-N106 PolarHBondContact OD2-ND2 3.06Å; E102-N106 PolarHBondContact O-N 2.81Å; E102-N106 PolarHBondContact O-ND2 2.93Å; F104-N106 PolarHBondContact O-N 3.12Å; N106-E108 VanDerWaalsContact C-N 3.27Å; N106-E108 PolarHBondContact O-N 2.83Å; N106-H109 WeakPolarHBondContact O-CB 3.19Å; N106-H109 PolarHBondContact O-N 3.39Å; N106-H109 VanDerWaalsContact O-N 3.16Å; N106-W110 VanDerWaalsContact O-CD1 3.23Å; N106-W110 PolarHBondContact O-N 3.42Å
107	L	98.1	Very high	96.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-37.9	-178.9	-72.1	171.9	0	0	0	113	L94 Y96 F104 N105 H109 W110 L111 L126 W147	L94-L107 HydrophobicContact CD1-CD2 3.72Å; L94-L107 HydrophobicContact CD2-CB 4.48Å; L94-L107 HydrophobicContact CD2-CD2 3.83Å; L94-L107 HydrophobicContact CG-CD2 3.52Å; Y96-L107 HydrophobicContact CD1-CD1 4.17Å; Y96-L107 HydrophobicContact CD1-CD2 4.5Å; Y96-L107 HydrophobicContact CG-CD1 4.4Å; F104-L107 HydrophobicContact CB-CD1 4.4Å; F104-L107 HydrophobicContact CD2-CD1 3.35Å; F104-L107 HydrophobicContact CE2-CD1 3.63Å; F104-L107 HydrophobicContact CG-CD1 3.92Å; F104-L107 HydrophobicContact CZ-CD1 4.41Å; F104-L107 VanDerWaalsContact O-CB 3.24Å; F104-L107 WeakPolarHBondContact O-CB 3.3Å; F104-L107 WeakPolarHBondContact O-CD1 3.38Å; F104-L107 WeakPolarHBondContact O-CG 3.36Å; F104-L107 PolarHBondContact O-N 2.96Å; F104-L107 VanDerWaalsContact O-N 3.16Å; N105-L107 VanDerWaalsContact C-N 3.26Å; N105-L107 PolarHBondContact O-N 2.92Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.21Å; L107-W110 PolarHBondContact O-N 3.1Å; L107-L111 WeakPolarHBondContact O-CB 3.27Å; L107-L111 PolarHBondContact O-N 3.41Å; L107-L126 HydrophobicContact CD1-CD1 3.61Å; L107-L126 HydrophobicContact CD1-CD2 4.5Å; L107-L126 HydrophobicContact CD2-CD1 3.63Å; L107-L126 HydrophobicContact CG-CD1 4.29Å; L107-W147 HydrophobicContact CB-CH2 3.68Å; L107-W147 HydrophobicContact CB-CZ2 3.66Å; L107-W147 HydrophobicContact CB-CZ3 4.35Å; L107-W147 HydrophobicContact CD1-CE3 4.38Å; L107-W147 HydrophobicContact CD1-CH2 4.43Å; L107-W147 HydrophobicContact CD1-CZ3 4.3Å
108	E	97.3	Very high	96.1	Very high	91 Å²	91	57 Å²	57	43%	0.425	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-43.4	178.9	-164	67.8	-147.1	0	0	111.2	N106 L111 L112 H151	N106-E108 VanDerWaalsContact C-N 3.27Å; N106-E108 PolarHBondContact O-N 2.83Å; E108-L111 PolarHBondContact O-N 3.01Å; E108-L112 WeakPolarHBondContact O-CB 3.02Å; E108-L112 PolarHBondContact O-N 2.9Å; E108-H151 IonicContact OE1-NE2 2.71Å; E108-H151 IonicContact OE2-CE1 3.54Å; E108-H151 IonicContact OE2-NE2 3.61Å; E108-H151 PolarHBondContact OE2-NE2 2.89Å
109	H	94.4	Very high	95.7	Very high	107 Å²	107	61.6 Å²	61.6	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-45.9	179.6	-63.6	-57.9	0	0	0	111.6	N106 L107 L112 E113	N106-H109 WeakPolarHBondContact O-CB 3.19Å; N106-H109 PolarHBondContact O-N 3.39Å; N106-H109 VanDerWaalsContact O-N 3.16Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.21Å; H109-L112 PolarHBondContact O-N 2.55Å; H109-E113 WeakPolarHBondContact O-CB 3.42Å; H109-E113 PolarHBondContact O-N 3.47Å
110	W	94.9	Very high	95.3	Very high	3 Å²	3	66.1 Å²	66.1	1%	0.011	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-40.4	177.4	-73.2	110.3	0	0	0	112.5	I22 G23 D24 L94 N106 L107 L114	I22-W110 HydrophobicContact CB-CE3 4.31Å; I22-W110 HydrophobicContact CD1-CB 4.36Å; G23-W110 VanDerWaalsContact C-CE2 3.44Å; G23-W110 WeakPolarHBondContact O-CZ2 3.5Å; D24-W110 PolarHBondContact OD1-NE1 2.85Å; L94-W110 HydrophobicContact CD1-CB 3.54Å; L94-W110 HydrophobicContact CD1-CG 4.34Å; N106-W110 VanDerWaalsContact O-CD1 3.23Å; N106-W110 PolarHBondContact O-N 3.42Å; L107-W110 PolarHBondContact O-N 3.1Å; W110-L114 WeakPolarHBondContact O-CB 3.45Å; W110-L114 PolarHBondContact O-N 2.86Å
111	L	96.5	Very high	95	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-43.8	178.5	-178.6	61.5	0	0	0	111.6	L94 L107 E108 L114 R115 I124 W147 H151 L153	L94-L111 HydrophobicContact CD2-CB 4.19Å; L107-L111 WeakPolarHBondContact O-CB 3.27Å; L107-L111 PolarHBondContact O-N 3.41Å; E108-L111 PolarHBondContact O-N 3.01Å; L111-L114 PolarHBondContact O-N 2.96Å; L111-R115 HydrophobicContact CD1-CG 4.35Å; L111-R115 WeakPolarHBondContact O-CB 3.28Å; L111-R115 WeakPolarHBondContact O-CG 3.26Å; L111-R115 PolarHBondContact O-N 2.75Å; L111-I124 HydrophobicContact CD1-CD1 3.75Å; L111-W147 HydrophobicContact CB-CH2 4.46Å; L111-W147 HydrophobicContact CD2-CH2 3.83Å; L111-W147 HydrophobicContact CD2-CZ2 4.39Å; L111-H151 HydrophobicContact CD2-CB 3.91Å; L111-L153 HydrophobicContact CD1-CD1 4.36Å; L111-L153 HydrophobicContact CD1-CD2 4.18Å; L111-L153 HydrophobicContact CD2-CD1 4.31Å
112	L	94.9	Very high	94.9	Very high	125 Å²	125	64.6 Å²	64.6	65%	0.654	34%	0.338	S	S	*	.	H	α-helix	trans	-62.8	-44.9	176.8	-177.9	65.2	0	0	0	111.3	E108 H109 R115 G116	E108-L112 WeakPolarHBondContact O-CB 3.02Å; E108-L112 PolarHBondContact O-N 2.9Å; H109-L112 PolarHBondContact O-N 2.55Å; L112-R115 PolarHBondContact O-N 3.07Å; L112-G116 PolarHBondContact O-N 2.89Å
113	E	92.8	Very high	94.9	Very high	34 Å²	34	58.8 Å²	58.8	16%	0.159	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-48.4	177.4	-162.3	-169.1	105.5	0	0	111	R79 Y86 H109 R115 G116 H117	R79-E113 WeakPolarHBondContact CD-OE2 3.44Å; R79-E113 IonicContact NE-OE2 3.65Å; Y86-E113 HydrophobicContact CE2-CB 4.44Å; Y86-E113 HydrophobicContact CE2-CG 3.92Å; Y86-E113 WeakPolarHBondContact CE2-OE1 3.45Å; Y86-E113 PolarHBondContact OH-OE1 3.47Å; H109-E113 WeakPolarHBondContact O-CB 3.42Å; H109-E113 PolarHBondContact O-N 3.47Å; E113-R115 PolarHBondContact O-N 3Å; E113-G116 PolarHBondContact O-N 2.77Å; E113-H117 PolarHBondContact O-CD2 3.16Å
114	L	94.1	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.4	-51.4	177.4	179.3	69.4	0	0	0	111.5	V20 I22 Y86 A92 W110 L111 G116 H117 A118 I122 I124	V20-L114 HydrophobicContact CG2-CD1 4.06Å; I22-L114 HydrophobicContact CD1-CB 3.85Å; I22-L114 HydrophobicContact CD1-CD1 4.33Å; I22-L114 HydrophobicContact CD1-CD2 3.78Å; I22-L114 HydrophobicContact CD1-CG 4.2Å; Y86-L114 HydrophobicContact CD1-CD1 3.78Å; Y86-L114 HydrophobicContact CD2-CD1 4.38Å; Y86-L114 HydrophobicContact CE1-CD1 4.18Å; Y86-L114 HydrophobicContact CG-CD1 3.9Å; A92-L114 HydrophobicContact CB-CD1 4.26Å; A92-L114 HydrophobicContact CB-CD2 3.46Å; A92-L114 VanDerWaalsContact CB-CD2 3.46Å; W110-L114 WeakPolarHBondContact O-CB 3.45Å; W110-L114 PolarHBondContact O-N 2.86Å; L111-L114 PolarHBondContact O-N 2.96Å; L114-G116 PolarHBondContact O-N 2.86Å; L114-H117 PolarHBondContact O-N 3.29Å; L114-H117 VanDerWaalsContact O-N 3.13Å; L114-A118 HydrophobicContact CD1-CB 4Å; L114-A118 HydrophobicContact CG-CB 4.28Å; L114-A118 VanDerWaalsContact O-CB 3.23Å; L114-A118 WeakPolarHBondContact O-CB 3.28Å; L114-A118 PolarHBondContact O-N 2.97Å; L114-I122 HydrophobicContact CD1-CD1 3.95Å; L114-I122 HydrophobicContact CD2-CD1 4.19Å; L114-I122 HydrophobicContact CG-CD1 4.28Å; L114-I124 HydrophobicContact CD2-CD1 3.72Å; L114-I124 HydrophobicContact CD2-CG1 3.93Å
115	R	94.8	Very high	95	Very high	126 Å²	126	57.8 Å²	57.8	48%	0.475	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-23.5	-179	-75.5	179.5	168.9	167.7	-1.3	113.3	L111 L112 E113 H117 H151	L111-R115 HydrophobicContact CD1-CG 4.35Å; L111-R115 WeakPolarHBondContact O-CB 3.28Å; L111-R115 WeakPolarHBondContact O-CG 3.26Å; L111-R115 PolarHBondContact O-N 2.75Å; L112-R115 PolarHBondContact O-N 3.07Å; E113-R115 PolarHBondContact O-N 3Å; R115-H117 VanDerWaalsContact C-N 3.3Å; R115-H117 PolarHBondContact O-N 3.29Å; R115-H151 PolarHBondContact NH2-O 3.14Å
116	G	93	Very high	95	Very high	59 Å²	59	53.2 Å²	53.2	61%	0.608	28%	0.283	S	S	*	.	H	α-helix	trans	-74.6	-14.9	175.6	0	0	0	0	0	114.7	L112 E113 L114	L112-G116 PolarHBondContact O-N 2.89Å; E113-G116 PolarHBondContact O-N 2.77Å; L114-G116 PolarHBondContact O-N 2.86Å
117	H	91.7	Very high	95.1	Very high	102 Å²	102	51.4 Å²	51.4	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-135.3	-19.7	-169.6	-66.8	-65.2	0	0	0	115	Y86 E113 L114 R115	Y86-H117 HydrophobicContact CD2-CB 3.79Å; Y86-H117 HydrophobicContact CG-CB 4.37Å; E113-H117 PolarHBondContact O-CD2 3.16Å; L114-H117 PolarHBondContact O-N 3.29Å; L114-H117 VanDerWaalsContact O-N 3.13Å; R115-H117 VanDerWaalsContact C-N 3.3Å; R115-H117 PolarHBondContact O-N 3.29Å
118	A	93	Very high	95.1	Very high	15 Å²	15	51.4 Å²	51.4	12%	0.124	27%	0.273	C	S	.	.	S	Bend	trans	-84.8	172.7	176.7	0	0	0	0	0	112.2	L114 I122	L114-A118 HydrophobicContact CD1-CB 4Å; L114-A118 HydrophobicContact CG-CB 4.28Å; L114-A118 VanDerWaalsContact O-CB 3.23Å; L114-A118 WeakPolarHBondContact O-CB 3.28Å; L114-A118 PolarHBondContact O-N 2.97Å; A118-I122 HydrophobicContact CB-CB 4.33Å; A118-I122 HydrophobicContact CB-CD1 3.69Å; A118-I122 HydrophobicContact CB-CG2 4.13Å
119	E	89.2	Confident	95.2	Very high	96 Å²	96	47.1 Å²	47.1	45%	0.449	25%	0.253	S	S	.	.			trans	-64	144	171.9	-58.9	-58.2	149.4	0	0	110.6	D121 I122	E119-D121 PolarHBondContact O-N 3.28Å; E119-D121 VanDerWaalsContact O-N 3.15Å; E119-I122 WeakPolarHBondContact O-CB 3.4Å; E119-I122 VanDerWaalsContact O-CG2 3.26Å; E119-I122 WeakPolarHBondContact O-CG2 3.49Å; E119-I122 PolarHBondContact O-N 2.82Å; E119-I122 VanDerWaalsContact O-N 3.12Å
120	P	90.6	Very high	95.4	Very high	119 Å²	119	44.3 Å²	44.3	77%	0.773	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.4	-177.9	-26.8	35	0	0	0	114.2	I122	P120-I122 VanDerWaalsContact C-N 3.33Å; P120-I122 PolarHBondContact O-N 3.1Å
121	D	92.1	Very high	95.5	Very high	152 Å²	152	44.7 Å²	44.7	81%	0.813	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	17.6	-176.3	-58.6	-37.8	0	0	0	113.2	E119 V123	E119-D121 PolarHBondContact O-N 3.28Å; E119-D121 VanDerWaalsContact O-N 3.15Å; D121-V123 PolarHBondContact O-N 3.38Å
122	I	96.6	Very high	95.6	Very high	19 Å²	19	46 Å²	46	10%	0.097	25%	0.249	C	C	.	.			trans	-56.6	128.6	177.9	-174	167.4	0	0	0	111.3	A89 A92 L114 A118 E119 P120 I124	A89-I122 HydrophobicContact CB-CD1 4.06Å; A92-I122 HydrophobicContact CB-CD1 4Å; L114-I122 HydrophobicContact CD1-CD1 3.95Å; L114-I122 HydrophobicContact CD2-CD1 4.19Å; L114-I122 HydrophobicContact CG-CD1 4.28Å; A118-I122 HydrophobicContact CB-CB 4.33Å; A118-I122 HydrophobicContact CB-CD1 3.69Å; A118-I122 HydrophobicContact CB-CG2 4.13Å; E119-I122 WeakPolarHBondContact O-CB 3.4Å; E119-I122 VanDerWaalsContact O-CG2 3.26Å; E119-I122 WeakPolarHBondContact O-CG2 3.49Å; E119-I122 PolarHBondContact O-N 2.82Å; E119-I122 VanDerWaalsContact O-N 3.12Å; P120-I122 VanDerWaalsContact C-N 3.33Å; P120-I122 PolarHBondContact O-N 3.1Å; I122-I124 HydrophobicContact CG1-CG1 4.3Å; I122-I124 HydrophobicContact CG2-CD1 3.95Å; I122-I124 HydrophobicContact CG2-CG1 3.98Å
123	V	97.7	Very high	95.8	Very high	18 Å²	18	42.4 Å²	42.4	11%	0.109	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.8	174.7	179.8	0	0	0	0	109.2	V90 G91 A92 D121 F154 I173 T176 I177	V90-V123 PolarHBondContact O-N 2.99Å; G91-V123 CarbonylContact C-O 3.58Å; G91-V123 WeakPolarHBondContact CA-O 3.32Å; A92-V123 PolarHBondContact N-O 3.4Å; D121-V123 PolarHBondContact O-N 3.38Å; V123-F154 HydrophobicContact CG1-CD2 4.18Å; V123-F154 HydrophobicContact CG1-CE2 3.96Å; V123-I173 HydrophobicContact CG1-CG1 4.03Å; V123-T176 HydrophobicContact CG1-CG2 3.67Å; V123-T176 HydrophobicContact CG2-CG2 4.16Å; V123-I177 HydrophobicContact CB-CG1 3.85Å; V123-I177 HydrophobicContact CG1-CG1 4.47Å; V123-I177 HydrophobicContact CG2-CG1 3.82Å
124	I	98.4	Very high	95.9	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.051	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.3	-176	-52.8	169	0	0	0	110.3	A92 L94 L111 L114 I122 L153 F154	A92-I124 HydrophobicContact CB-CG1 4.45Å; A92-I124 WeakPolarHBondContact O-CA 3.27Å; L94-I124 HydrophobicContact CB-CG2 4.32Å; L111-I124 HydrophobicContact CD1-CD1 3.75Å; L114-I124 HydrophobicContact CD2-CD1 3.72Å; L114-I124 HydrophobicContact CD2-CG1 3.93Å; I122-I124 HydrophobicContact CG1-CG1 4.3Å; I122-I124 HydrophobicContact CG2-CD1 3.95Å; I122-I124 HydrophobicContact CG2-CG1 3.98Å; I124-L153 HydrophobicContact CB-CD2 3.73Å; I124-L153 HydrophobicContact CD1-CD2 4.14Å; I124-L153 HydrophobicContact CG2-CD1 4.16Å; I124-L153 HydrophobicContact CG2-CD2 3.83Å; I124-L153 HydrophobicContact CG2-CG 4.42Å; I124-F154 PolarHBondContact O-N 3.09Å; I124-F154 VanDerWaalsContact O-N 3.14Å
125	M	98.7	Very high	96.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.9	172.1	-179.9	-179.9	-66.4	0	0	110.5	A92 L93 L94 V127 F154 M156 A169 I173	A92-M125 PolarHBondContact O-N 2.66Å; L93-M125 WeakPolarHBondContact CA-O 3.42Å; L93-M125 HydrophobicContact CD2-CB 3.8Å; L93-M125 HydrophobicContact CD2-CG 4.25Å; L93-M125 HydrophobicContact CD2-SD 4.04Å; L94-M125 PolarHBondContact N-O 2.99Å; M125-V127 HydrophobicContact CG-CG2 4.04Å; M125-V127 HydrophobicContact SD-CG2 4.23Å; M125-F154 CarbonylContact C-O 3.4Å; M125-F154 WeakPolarHBondContact CA-O 3.43Å; M125-F154 HydrophobicContact CB-CB 4.05Å; M125-F154 HydrophobicContact CE-CB 3.85Å; M125-F154 HydrophobicContact CE-CG 4.48Å; M125-F154 HydrophobicContact CG-CB 3.92Å; M125-M156 HydrophobicContact CE-CE 3.47Å; M125-M156 VanDerWaalsContact CE-CE 3.47Å; M125-M156 HydrophobicContact SD-CB 4.44Å; M125-M156 HydrophobicContact SD-CE 3.75Å; M125-M156 HydrophobicContact SD-CG 4.49Å; M125-A169 HydrophobicContact SD-CB 4.05Å; M125-I173 HydrophobicContact CB-CD1 4.33Å; M125-I173 HydrophobicContact CE-CB 4.25Å
126	L	98.9	Very high	96.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.6	165.8	-179.7	69.3	0	0	0	109.6	L94 Y96 L107 A144 W147 A148 L153 F154 F155 M156	L94-L126 HydrophobicContact CD2-CD1 4.3Å; L94-L126 HydrophobicContact CG-CD1 4.19Å; L94-L126 CarbonylContact O-C 3.46Å; L94-L126 WeakPolarHBondContact O-CA 3.46Å; Y96-L126 HydrophobicContact CD1-CD1 3.73Å; Y96-L126 HydrophobicContact CD1-CG 4.23Å; Y96-L126 HydrophobicContact CE1-CD1 4Å; Y96-L126 HydrophobicContact CE1-CD2 4.11Å; Y96-L126 HydrophobicContact CE1-CG 3.99Å; L107-L126 HydrophobicContact CD1-CD1 3.61Å; L107-L126 HydrophobicContact CD1-CD2 4.5Å; L107-L126 HydrophobicContact CD2-CD1 3.63Å; L107-L126 HydrophobicContact CG-CD1 4.29Å; L126-A144 HydrophobicContact CD2-CB 4.27Å; L126-A144 WeakPolarHBondContact CD2-O 3.32Å; L126-W147 HydrophobicContact CD1-CZ3 4.19Å; L126-W147 HydrophobicContact CD2-CE3 3.84Å; L126-W147 HydrophobicContact CD2-CZ3 4.28Å; L126-A148 HydrophobicContact CB-CB 4.11Å; L126-A148 HydrophobicContact CD2-CB 4Å; L126-L153 HydrophobicContact CB-CD1 4.5Å; L126-F154 PolarHBondContact N-O 3.22Å; L126-F155 HydrophobicContact CB-CD2 4.1Å; L126-F155 HydrophobicContact CD2-CD2 3.73Å; L126-F155 HydrophobicContact CD2-CE2 4.09Å; L126-F155 HydrophobicContact CG-CD2 3.91Å; L126-F155 HydrophobicContact CG-CE2 4.36Å; L126-F155 WeakPolarHBondContact O-CA 3.5Å; L126-M156 PolarHBondContact O-N 3.07Å; L126-M156 VanDerWaalsContact O-N 3.09Å
127	V	98.9	Very high	96.5	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	112.5	179.3	-179.6	0	0	0	0	110.4	L32 L93 L94 V95 Y96 M125 N129 M156 T158	L32-V127 HydrophobicContact CD1-CG1 4.34Å; L93-V127 HydrophobicContact CB-CG2 4.21Å; L93-V127 HydrophobicContact CD1-CG2 4.44Å; L93-V127 HydrophobicContact CD2-CG2 3.99Å; L93-V127 HydrophobicContact CG-CG2 4.45Å; L94-V127 PolarHBondContact O-N 2.88Å; V95-V127 WeakPolarHBondContact CA-O 3.47Å; V95-V127 HydrophobicContact CG2-CB 4.32Å; Y96-V127 WeakPolarHBondContact CD1-O 3.32Å; Y96-V127 PolarHBondContact N-O 3.3Å; M125-V127 HydrophobicContact CG-CG2 4.04Å; M125-V127 HydrophobicContact SD-CG2 4.23Å; V127-N129 PolarHBondContact O-N 3.32Å; V127-M156 WeakPolarHBondContact CA-O 3.15Å; V127-T158 HydrophobicContact CG1-CG2 3.7Å; V127-T158 WeakPolarHBondContact CG1-OG1 3.17Å
128	G	98.8	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	100.1	168.7	0	0	0	0	0	110.7	Y96 M156 E157 T158	Y96-G128 VanDerWaalsContact CZ-CA 3.44Å; G128-M156 PolarHBondContact N-O 3.16Å; G128-E157 CarbonylContact O-C 3.51Å; G128-E157 WeakPolarHBondContact O-CA 3.46Å; G128-T158 PolarHBondContact O-N 2.91Å
129	N	98.8	Very high	97	Very high	2 Å²	2	53 Å²	53	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	162.4	-177.8	-170.7	33.5	0	0	0	112.4	V27 L32 V95 Y96 I98 V127 T158 A160	V27-N129 PolarHBondContact O-ND2 3.39Å; L32-N129 HydrophobicContact CD1-CB 4.33Å; V95-N129 HydrophobicContact CG1-CB 3.87Å; Y96-N129 PolarHBondContact O-N 3.02Å; I98-N129 WeakPolarHBondContact CG1-O 3.37Å; I98-N129 WeakPolarHBondContact CG2-O 3.07Å; I98-N129 PolarHBondContact N-O 3.14Å; V127-N129 PolarHBondContact O-N 3.32Å; N129-T158 CarbonylContact C-O 3.53Å; N129-T158 WeakPolarHBondContact CA-O 3.44Å; N129-T158 PolarHBondContact OD1-O 3.13Å; N129-T158 PolarHBondContact OD1-OG1 2.86Å; N129-A160 PolarHBondContact OD1-N 3.34Å
130	K	98.3	Very high	97.4	Very high	47 Å²	47	53.4 Å²	53.4	20%	0.204	27%	0.268	C	S	.	.			trans	70.9	36.5	-177.8	-46.5	-173.6	-168.2	170.1	0	113.8	G26 V27 D97 I98 D132 L133 T158	G26-K130 PolarHBondContact O-NZ 2.75Å; V27-K130 WeakPolarHBondContact O-CE 3.41Å; D97-K130 WeakPolarHBondContact OD2-CD 3.39Å; D97-K130 WeakPolarHBondContact OD2-CE 3.43Å; D97-K130 IonicContact OD2-NZ 3.9Å; D97-K130 PolarHBondContact OD2-NZ 2.74Å; I98-K130 WeakPolarHBondContact CD1-O 3.08Å; I98-K130 WeakPolarHBondContact CG1-O 3.46Å; K130-D132 VanDerWaalsContact C-OD1 3.25Å; K130-D132 VanDerWaalsContact CA-OD1 3.26Å; K130-D132 WeakPolarHBondContact CA-OD1 3.38Å; K130-D132 PolarHBondContact O-N 3.04Å; K130-D132 VanDerWaalsContact O-N 3.13Å; K130-L133 HydrophobicContact CB-CD1 4.11Å; K130-L133 HydrophobicContact CB-CG 4.35Å; K130-L133 HydrophobicContact CD-CD1 4.18Å; K130-L133 WeakPolarHBondContact O-CB 3.38Å; K130-L133 PolarHBondContact O-N 3.22Å; K130-T158 PolarHBondContact N-O 2.91Å
131	C	98.5	Very high	97.8	Very high	12 Å²	12	50 Å²	50	8%	0.081	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.5	179.1	73	0	0	0	0	114.3	I98 L133 R134 E157 T158	I98-C131 HydrophobicContact CD1-CB 4.46Å; C131-L133 VanDerWaalsContact C-N 3.27Å; C131-R134 WeakPolarHBondContact O-CG 3.33Å; C131-E157 HydrophobicContact CB-CB 4.14Å; C131-T158 PolarHBondContact N-O 2.91Å; C131-T158 PolarHBondContact SG-O 2.9Å
132	D	98.3	Very high	98.1	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.15	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.2	166.7	54.5	-74.6	0	0	0	112.5	K130 R134 S159 L161 E162	K130-D132 VanDerWaalsContact C-OD1 3.25Å; K130-D132 VanDerWaalsContact CA-OD1 3.26Å; K130-D132 WeakPolarHBondContact CA-OD1 3.38Å; K130-D132 PolarHBondContact O-N 3.04Å; K130-D132 VanDerWaalsContact O-N 3.13Å; D132-R134 PolarHBondContact O-N 3.24Å; D132-S159 WeakPolarHBondContact CB-OG 3.46Å; D132-S159 VanDerWaalsContact OD1-CB 3.22Å; D132-S159 WeakPolarHBondContact OD1-CB 3.32Å; D132-S159 PolarHBondContact OD1-OG 3.18Å; D132-L161 WeakPolarHBondContact OD2-CD2 3.2Å; D132-E162 VanDerWaalsContact CB-CD 3.4Å; D132-E162 HydrophobicContact CB-CG 3.76Å
133	L	97.7	Very high	98.2	Very high	50 Å²	50	51 Å²	51	26%	0.262	25%	0.247	S	C	.	.			trans	-82.8	45	-180	-58	-178.9	0	0	0	112.8	T99 K130 C131 H135 L136 R137	T99-L133 HydrophobicContact CG2-CB 3.56Å; T99-L133 HydrophobicContact CG2-CD1 3.83Å; T99-L133 HydrophobicContact CG2-CG 4.34Å; K130-L133 HydrophobicContact CB-CD1 4.11Å; K130-L133 HydrophobicContact CB-CG 4.35Å; K130-L133 HydrophobicContact CD-CD1 4.18Å; K130-L133 WeakPolarHBondContact O-CB 3.38Å; K130-L133 PolarHBondContact O-N 3.22Å; C131-L133 VanDerWaalsContact C-N 3.27Å; L133-H135 PolarHBondContact O-N 3.2Å; L133-H135 VanDerWaalsContact O-N 3.11Å; L133-L136 HydrophobicContact CB-CB 4.4Å; L133-L136 HydrophobicContact CD1-CD1 4.49Å; L133-L136 PolarHBondContact O-N 2.93Å; L133-R137 PolarHBondContact O-N 2.95Å
134	R	96.2	Very high	98.2	Very high	190 Å²	190	50.2 Å²	50.2	72%	0.717	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-52.3	-38.4	-174	-59.4	-176.3	-175.6	-164	2.1	113.9	C131 D132 L136 R137	C131-R134 WeakPolarHBondContact O-CG 3.33Å; D132-R134 PolarHBondContact O-N 3.24Å; R134-L136 PolarHBondContact O-N 2.99Å; R134-R137 VanDerWaalsContact O-CB 3.28Å; R134-R137 WeakPolarHBondContact O-CB 3.16Å; R134-R137 PolarHBondContact O-N 3.47Å
135	H	97.6	Very high	98.2	Very high	155 Å²	155	53.9 Å²	53.9	72%	0.718	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-71.5	-17.1	-179.3	63.8	-77.6	0	0	0	113.7	L133	L133-H135 PolarHBondContact O-N 3.2Å; L133-H135 VanDerWaalsContact O-N 3.11Å
136	L	98.2	Very high	98.2	Very high	89 Å²	89	58.3 Å²	58.3	47%	0.466	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-105	5.5	176.1	-57.5	177.9	0	0	0	112.4	T99 L133 R134 T138	T99-L136 WeakPolarHBondContact CA-O 3.39Å; T99-L136 WeakPolarHBondContact CB-O 3.46Å; T99-L136 HydrophobicContact CG2-CB 3.7Å; L133-L136 HydrophobicContact CB-CB 4.4Å; L133-L136 HydrophobicContact CD1-CD1 4.49Å; L133-L136 PolarHBondContact O-N 2.93Å; R134-L136 PolarHBondContact O-N 2.99Å; L136-T138 PolarHBondContact O-N 3.39Å
137	R	98.6	Very high	98.2	Very high	61 Å²	61	59.1 Å²	59.1	23%	0.23	28%	0.284	C	S	.	.			trans	-57.9	125.2	-178.4	176.8	178.7	-71.4	-87.9	7.2	110.1	I98 L133 R134 I139 T141 E157	I98-R137 HydrophobicContact CD1-CB 4.16Å; I98-R137 HydrophobicContact CD1-CG 4.29Å; L133-R137 PolarHBondContact O-N 2.95Å; R134-R137 VanDerWaalsContact O-CB 3.28Å; R134-R137 WeakPolarHBondContact O-CB 3.16Å; R134-R137 PolarHBondContact O-N 3.47Å; R137-I139 VanDerWaalsContact CD-O 3.23Å; R137-I139 WeakPolarHBondContact CD-O 3.35Å; R137-I139 WeakPolarHBondContact CG-O 3.47Å; R137-I139 PolarHBondContact NH1-O 2.89Å; R137-T141 PolarHBondContact NH1-OG1 3.38Å; R137-E157 IonicContact CZ-OE1 3.96Å; R137-E157 VanDerWaalsContact CZ-OE1 3.32Å; R137-E157 IonicContact CZ-OE2 2.93Å; R137-E157 IonicContact NH1-OE1 2.72Å; R137-E157 PolarHBondContact NH1-OE1 3.39Å; R137-E157 IonicContact NH1-OE2 3.86Å; R137-E157 VanDerWaalsContact NH2-CD 3.26Å; R137-E157 IonicContact NH2-OE1 3.08Å; R137-E157 PolarHBondContact NH2-OE1 3.43Å; R137-E157 VanDerWaalsContact NH2-OE1 3.08Å; R137-E157 IonicContact NH2-OE2 2.7Å; R137-E157 PolarHBondContact NH2-OE2 3.05Å
138	T	98	Very high	98.2	Very high	63 Å²	63	59.1 Å²	59.1	39%	0.387	28%	0.284	S	S	.	.			trans	-112	-15.8	173.4	57.5	0	0	0	0	113.1	I98 T99 K100 R101 L136	I98-T138 PolarHBondContact O-N 3.19Å; T99-T138 WeakPolarHBondContact O-CG2 3.42Å; T99-T138 PolarHBondContact O-OG1 3.27Å; K100-T138 PolarHBondContact N-OG1 2.94Å; R101-T138 PolarHBondContact N-OG1 3.16Å; R101-T138 PolarHBondContact NE-O 2.79Å; R101-T138 PolarHBondContact NH2-O 3.26Å; L136-T138 PolarHBondContact O-N 3.39Å
139	I	97.9	Very high	98.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-111.9	125.9	173.6	-57.7	77.8	0	0	0	109.8	Y96 I98 R101 F104 R137 D143 A144	Y96-I139 HydrophobicContact CD2-CD1 4.48Å; Y96-I139 HydrophobicContact CE2-CB 4.08Å; Y96-I139 HydrophobicContact CE2-CD1 4.36Å; Y96-I139 HydrophobicContact CE2-CG1 4.16Å; Y96-I139 HydrophobicContact CE2-CG2 4.15Å; I98-I139 WeakPolarHBondContact O-CD1 3.24Å; I98-I139 PolarHBondContact O-N 3.38Å; R101-I139 HydrophobicContact CB-CD1 4.41Å; F104-I139 HydrophobicContact CB-CD1 4.16Å; F104-I139 HydrophobicContact CB-CG1 3.73Å; F104-I139 HydrophobicContact CD1-CG1 4.47Å; F104-I139 HydrophobicContact CD2-CG1 4.25Å; F104-I139 HydrophobicContact CD2-CG2 3.93Å; F104-I139 HydrophobicContact CE2-CG2 4.06Å; F104-I139 HydrophobicContact CG-CG1 3.9Å; F104-I139 HydrophobicContact CG-CG2 4.2Å; F104-I139 HydrophobicContact CZ-CG2 4.41Å; R137-I139 VanDerWaalsContact CD-O 3.23Å; R137-I139 WeakPolarHBondContact CD-O 3.35Å; R137-I139 WeakPolarHBondContact CG-O 3.47Å; R137-I139 PolarHBondContact NH1-O 2.89Å; I139-D143 HydrophobicContact CG2-CB 4.45Å; I139-A144 HydrophobicContact CG2-CB 4.2Å
140	L	97.6	Very high	98.1	Very high	105 Å²	105	72.4 Å²	72.4	55%	0.55	34%	0.339	S	S	.	.			trans	-71.5	141.8	174.5	-61.1	178.8	0	0	0	110.5	E142 D143 A144	L140-E142 PolarHBondContact O-N 3.36Å; L140-D143 HydrophobicContact CB-CB 4.4Å; L140-D143 WeakPolarHBondContact O-CB 3.36Å; L140-D143 PolarHBondContact O-N 3.13Å; L140-D143 VanDerWaalsContact O-N 3.12Å; L140-A144 PolarHBondContact O-N 3.24Å
141	T	98.3	Very high	98.1	Very high	49 Å²	49	72 Å²	72	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-56.1	-39.6	178.1	-54.4	0	0	0	0	111.7	R137 A144 K145 F155 E157	R137-T141 PolarHBondContact NH1-OG1 3.38Å; T141-A144 PolarHBondContact O-N 3.3Å; T141-K145 WeakPolarHBondContact O-CB 3.41Å; T141-K145 PolarHBondContact O-N 2.92Å; T141-F155 HydrophobicContact CG2-CE1 3.72Å; T141-F155 HydrophobicContact CG2-CZ 4.08Å; T141-E157 WeakPolarHBondContact CB-OE1 3.49Å; T141-E157 HydrophobicContact CG2-CG 4.37Å; T141-E157 PolarHBondContact OG1-OE1 3.47Å
142	E	98.2	Very high	98.1	Very high	126 Å²	126	74.7 Å²	74.7	59%	0.589	37%	0.367	S	S	*	.	H	α-helix	trans	-66.8	-37.3	178	-61.1	-55.8	154.8	0	0	113	L140 A144 K145 L146	L140-E142 PolarHBondContact O-N 3.36Å; E142-A144 VanDerWaalsContact C-N 3.32Å; E142-A144 PolarHBondContact O-N 3.44Å; E142-K145 PolarHBondContact O-N 2.84Å; E142-L146 WeakPolarHBondContact O-CB 3.34Å; E142-L146 PolarHBondContact O-N 3.41Å
143	D	98.1	Very high	98.1	Very high	66 Å²	66	74 Å²	74	35%	0.353	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.1	-66.2	-18.1	0	0	0	110.9	I139 L140 W147	I139-D143 HydrophobicContact CG2-CB 4.45Å; L140-D143 HydrophobicContact CB-CB 4.4Å; L140-D143 WeakPolarHBondContact O-CB 3.36Å; L140-D143 PolarHBondContact O-N 3.13Å; L140-D143 VanDerWaalsContact O-N 3.12Å; D143-W147 WeakPolarHBondContact O-CB 3.49Å; D143-W147 PolarHBondContact O-N 3.41Å
144	A	98.6	Very high	98.1	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-70	-40.4	179.5	0	0	0	0	0	112.1	Y96 F104 L126 I139 L140 T141 E142 W147 A148 F155	Y96-A144 HydrophobicContact CE1-CB 4.25Å; Y96-A144 WeakPolarHBondContact OH-CB 3.3Å; F104-A144 HydrophobicContact CE2-CB 3.72Å; F104-A144 HydrophobicContact CZ-CB 4.4Å; L126-A144 HydrophobicContact CD2-CB 4.27Å; L126-A144 WeakPolarHBondContact CD2-O 3.32Å; I139-A144 HydrophobicContact CG2-CB 4.2Å; L140-A144 PolarHBondContact O-N 3.24Å; T141-A144 PolarHBondContact O-N 3.3Å; E142-A144 VanDerWaalsContact C-N 3.32Å; E142-A144 PolarHBondContact O-N 3.44Å; A144-W147 PolarHBondContact O-N 3.39Å; A144-A148 PolarHBondContact O-N 2.81Å; A144-F155 HydrophobicContact CB-CD2 4.44Å; A144-F155 HydrophobicContact CB-CE2 3.62Å; A144-F155 HydrophobicContact CB-CZ 3.76Å
145	K	98.6	Very high	98.2	Very high	88 Å²	88	69.3 Å²	69.3	38%	0.383	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-48.5	174.8	-174.1	-179.8	174	-170.9	0	111.5	T141 E142 W147 A148 E149 F155	T141-K145 WeakPolarHBondContact O-CB 3.41Å; T141-K145 PolarHBondContact O-N 2.92Å; E142-K145 PolarHBondContact O-N 2.84Å; K145-W147 VanDerWaalsContact C-N 3.27Å; K145-W147 PolarHBondContact O-N 3.01Å; K145-A148 WeakPolarHBondContact O-CB 3.21Å; K145-A148 PolarHBondContact O-N 3.09Å; K145-A148 VanDerWaalsContact O-N 3.13Å; K145-E149 VanDerWaalsContact CE-OE1 3.28Å; K145-E149 WeakPolarHBondContact CE-OE1 3.46Å; K145-E149 WeakPolarHBondContact O-CG 3.22Å; K145-E149 PolarHBondContact O-N 2.79Å; K145-F155 HydrophobicContact CB-CD1 3.72Å; K145-F155 HydrophobicContact CB-CE1 3.97Å; K145-F155 HydrophobicContact CB-CG 4.39Å; K145-F155 HydrophobicContact CG-CD1 4.03Å
146	L	98.5	Very high	98.2	Very high	92 Å²	92	64.1 Å²	64.1	48%	0.482	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-37	176.1	-175.8	65.5	0	0	0	111.5	E142 R150	E142-L146 WeakPolarHBondContact O-CB 3.34Å; E142-L146 PolarHBondContact O-N 3.41Å; L146-R150 VanDerWaalsContact O-CG 3.3Å; L146-R150 WeakPolarHBondContact O-CG 3.46Å; L146-R150 PolarHBondContact O-N 2.99Å
147	W	98.6	Very high	98.3	Very high	18 Å²	18	61.9 Å²	61.9	7%	0.068	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-43.9	173.6	-172.2	102.1	0	0	0	111.9	L94 F104 L107 L111 L126 D143 A144 K145 R150 H151 L153	L94-W147 HydrophobicContact CD2-CH2 3.97Å; L94-W147 HydrophobicContact CD2-CZ3 4.13Å; F104-W147 HydrophobicContact CE2-CB 4.43Å; F104-W147 HydrophobicContact CZ-CB 3.75Å; F104-W147 AromaticContact CZ-CG 3.88Å; F104-W147 HydrophobicContact CZ-CG 3.88Å; L107-W147 HydrophobicContact CB-CH2 3.68Å; L107-W147 HydrophobicContact CB-CZ2 3.66Å; L107-W147 HydrophobicContact CB-CZ3 4.35Å; L107-W147 HydrophobicContact CD1-CE3 4.38Å; L107-W147 HydrophobicContact CD1-CH2 4.43Å; L107-W147 HydrophobicContact CD1-CZ3 4.3Å; L111-W147 HydrophobicContact CB-CH2 4.46Å; L111-W147 HydrophobicContact CD2-CH2 3.83Å; L111-W147 HydrophobicContact CD2-CZ2 4.39Å; L126-W147 HydrophobicContact CD1-CZ3 4.19Å; L126-W147 HydrophobicContact CD2-CE3 3.84Å; L126-W147 HydrophobicContact CD2-CZ3 4.28Å; D143-W147 WeakPolarHBondContact O-CB 3.49Å; D143-W147 PolarHBondContact O-N 3.41Å; A144-W147 PolarHBondContact O-N 3.39Å; K145-W147 VanDerWaalsContact C-N 3.27Å; K145-W147 PolarHBondContact O-N 3.01Å; W147-R150 PolarHBondContact O-N 3.35Å; W147-H151 AromaticContact CD1-CE1 3.98Å; W147-H151 AromaticContact CD2-CE1 3.84Å; W147-H151 AromaticContact CD2-ND1 3.48Å; W147-H151 AromaticContact CE2-CE1 3.32Å; W147-H151 AromaticContact CE2-ND1 3.4Å; W147-H151 AromaticContact CE3-ND1 3.8Å; W147-H151 AromaticContact CH2-ND1 3.99Å; W147-H151 AromaticContact CZ2-CE1 3.57Å; W147-H151 AromaticContact CZ2-ND1 3.65Å; W147-H151 AromaticContact NE1-CE1 3.39Å; W147-H151 PolarHBondContact NE1-CE1 3.41Å; W147-H151 AromaticContact NE1-ND1 3.85Å; W147-H151 PolarHBondContact O-N 3.4Å; W147-H151 PolarHBondContact O-ND1 3.39Å; W147-L153 HydrophobicContact CE3-CD1 4.4Å; W147-L153 HydrophobicContact CH2-CD1 4.2Å; W147-L153 HydrophobicContact CZ3-CD1 3.54Å
148	A	98.7	Very high	98.3	Very high	1 Å²	1	59 Å²	59	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-45.7	176.9	0	0	0	0	0	111.8	L126 A144 K145 R150 H151 G152 L153 F155	L126-A148 HydrophobicContact CB-CB 4.11Å; L126-A148 HydrophobicContact CD2-CB 4Å; A144-A148 PolarHBondContact O-N 2.81Å; K145-A148 WeakPolarHBondContact O-CB 3.21Å; K145-A148 PolarHBondContact O-N 3.09Å; K145-A148 VanDerWaalsContact O-N 3.13Å; A148-R150 PolarHBondContact O-N 2.78Å; A148-H151 CarbonylContact O-C 3.5Å; A148-H151 PolarHBondContact O-N 2.97Å; A148-G152 PolarHBondContact O-N 3.09Å; A148-L153 HydrophobicContact CB-CB 4.22Å; A148-L153 PolarHBondContact O-N 3.25Å; A148-F155 HydrophobicContact CB-CB 3.78Å; A148-F155 HydrophobicContact CB-CG 4.48Å
149	E	98.2	Very high	98.3	Very high	113 Å²	113	56 Å²	56	53%	0.528	28%	0.281	S	S	.	.	H	α-helix	trans	-58.4	-45.7	177.5	-73.4	173.6	-175.2	0	0	111.8	K145 H151 G152	K145-E149 VanDerWaalsContact CE-OE1 3.28Å; K145-E149 WeakPolarHBondContact CE-OE1 3.46Å; K145-E149 WeakPolarHBondContact O-CG 3.22Å; K145-E149 PolarHBondContact O-N 2.79Å; E149-H151 PolarHBondContact O-N 3.32Å; E149-G152 PolarHBondContact O-N 2.98Å; E149-G152 VanDerWaalsContact O-N 3.1Å
150	R	98.2	Very high	98.3	Very high	168 Å²	168	56.1 Å²	56.1	63%	0.634	28%	0.282	S	S	*	.	H	α-helix	trans	-60	-29.4	176.3	-74.2	-176.6	-56.1	-175.9	4.4	113.5	L146 W147 A148	L146-R150 VanDerWaalsContact O-CG 3.3Å; L146-R150 WeakPolarHBondContact O-CG 3.46Å; L146-R150 PolarHBondContact O-N 2.99Å; W147-R150 PolarHBondContact O-N 3.35Å; A148-R150 PolarHBondContact O-N 2.78Å
151	H	98	Very high	98.3	Very high	38 Å²	38	54.9 Å²	54.9	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-97	0.3	179.7	-68.5	93.7	0	0	0	113.6	E108 L111 R115 W147 A148 E149 L153	E108-H151 IonicContact OE1-NE2 2.71Å; E108-H151 IonicContact OE2-CE1 3.54Å; E108-H151 IonicContact OE2-NE2 3.61Å; E108-H151 PolarHBondContact OE2-NE2 2.89Å; L111-H151 HydrophobicContact CD2-CB 3.91Å; R115-H151 PolarHBondContact NH2-O 3.14Å; W147-H151 AromaticContact CD1-CE1 3.98Å; W147-H151 AromaticContact CD2-CE1 3.84Å; W147-H151 AromaticContact CD2-ND1 3.48Å; W147-H151 AromaticContact CE2-CE1 3.32Å; W147-H151 AromaticContact CE2-ND1 3.4Å; W147-H151 AromaticContact CE3-ND1 3.8Å; W147-H151 AromaticContact CH2-ND1 3.99Å; W147-H151 AromaticContact CZ2-CE1 3.57Å; W147-H151 AromaticContact CZ2-ND1 3.65Å; W147-H151 AromaticContact NE1-CE1 3.39Å; W147-H151 PolarHBondContact NE1-CE1 3.41Å; W147-H151 AromaticContact NE1-ND1 3.85Å; W147-H151 PolarHBondContact O-N 3.4Å; W147-H151 PolarHBondContact O-ND1 3.39Å; A148-H151 CarbonylContact O-C 3.5Å; A148-H151 PolarHBondContact O-N 2.97Å; E149-H151 PolarHBondContact O-N 3.32Å; H151-L153 HydrophobicContact CB-CD1 4.01Å; H151-L153 HydrophobicContact CB-CD2 4.23Å; H151-L153 HydrophobicContact CB-CG 3.77Å; H151-L153 WeakPolarHBondContact O-CD2 3.32Å
152	G	97	Very high	98.3	Very high	68 Å²	68	57.8 Å²	57.8	70%	0.701	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	34.4	-177.6	0	0	0	0	0	113.6	A148 E149	A148-G152 PolarHBondContact O-N 3.09Å; E149-G152 PolarHBondContact O-N 2.98Å; E149-G152 VanDerWaalsContact O-N 3.1Å
153	L	98.3	Very high	98.3	Very high	15 Å²	15	54 Å²	54	8%	0.079	27%	0.273	C	S	.	.			trans	-108.1	150.8	-179.1	-38.3	178.3	0	0	0	110.7	L94 L111 I124 L126 W147 A148 H151	L94-L153 HydrophobicContact CD2-CD1 4.32Å; L111-L153 HydrophobicContact CD1-CD1 4.36Å; L111-L153 HydrophobicContact CD1-CD2 4.18Å; L111-L153 HydrophobicContact CD2-CD1 4.31Å; I124-L153 HydrophobicContact CB-CD2 3.73Å; I124-L153 HydrophobicContact CD1-CD2 4.14Å; I124-L153 HydrophobicContact CG2-CD1 4.16Å; I124-L153 HydrophobicContact CG2-CD2 3.83Å; I124-L153 HydrophobicContact CG2-CG 4.42Å; L126-L153 HydrophobicContact CB-CD1 4.5Å; W147-L153 HydrophobicContact CE3-CD1 4.4Å; W147-L153 HydrophobicContact CH2-CD1 4.2Å; W147-L153 HydrophobicContact CZ3-CD1 3.54Å; A148-L153 HydrophobicContact CB-CB 4.22Å; A148-L153 PolarHBondContact O-N 3.25Å; H151-L153 HydrophobicContact CB-CD1 4.01Å; H151-L153 HydrophobicContact CB-CD2 4.23Å; H151-L153 HydrophobicContact CB-CG 3.77Å; H151-L153 WeakPolarHBondContact O-CD2 3.32Å
154	F	98	Very high	98.3	Very high	95 Å²	95	53.9 Å²	53.9	42%	0.417	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	158.7	164.2	-62.2	-84.9	0	0	0	110.2	V123 I124 M125 L126 T176	V123-F154 HydrophobicContact CG1-CD2 4.18Å; V123-F154 HydrophobicContact CG1-CE2 3.96Å; I124-F154 PolarHBondContact O-N 3.09Å; I124-F154 VanDerWaalsContact O-N 3.14Å; M125-F154 CarbonylContact C-O 3.4Å; M125-F154 WeakPolarHBondContact CA-O 3.43Å; M125-F154 HydrophobicContact CB-CB 4.05Å; M125-F154 HydrophobicContact CE-CB 3.85Å; M125-F154 HydrophobicContact CE-CG 4.48Å; M125-F154 HydrophobicContact CG-CB 3.92Å; L126-F154 PolarHBondContact N-O 3.22Å; F154-T176 HydrophobicContact CE2-CG2 3.66Å; F154-T176 HydrophobicContact CZ-CG2 3.66Å
155	F	98.6	Very high	98.3	Very high	45 Å²	45	54.6 Å²	54.6	20%	0.197	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.8	178.1	174.4	-109.9	0	0	0	112.2	Y96 L126 T141 A144 K145 A148 E157	Y96-F155 HydrophobicContact CE1-CE2 4.36Å; L126-F155 HydrophobicContact CB-CD2 4.1Å; L126-F155 HydrophobicContact CD2-CD2 3.73Å; L126-F155 HydrophobicContact CD2-CE2 4.09Å; L126-F155 HydrophobicContact CG-CD2 3.91Å; L126-F155 HydrophobicContact CG-CE2 4.36Å; L126-F155 WeakPolarHBondContact O-CA 3.5Å; T141-F155 HydrophobicContact CG2-CE1 3.72Å; T141-F155 HydrophobicContact CG2-CZ 4.08Å; A144-F155 HydrophobicContact CB-CD2 4.44Å; A144-F155 HydrophobicContact CB-CE2 3.62Å; A144-F155 HydrophobicContact CB-CZ 3.76Å; K145-F155 HydrophobicContact CB-CD1 3.72Å; K145-F155 HydrophobicContact CB-CE1 3.97Å; K145-F155 HydrophobicContact CB-CG 4.39Å; K145-F155 HydrophobicContact CG-CD1 4.03Å; A148-F155 HydrophobicContact CB-CB 3.78Å; A148-F155 HydrophobicContact CB-CG 4.48Å; F155-E157 HydrophobicContact CE1-CG 4.28Å; F155-E157 HydrophobicContact CE2-CG 4.4Å; F155-E157 HydrophobicContact CZ-CG 3.68Å
156	M	98.6	Very high	98.3	Very high	46 Å²	46	50.5 Å²	50.5	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.7	167.4	-77.9	-166.8	-118	0	0	111.4	M125 L126 V127 G128 N168 A169	M125-M156 HydrophobicContact CE-CE 3.47Å; M125-M156 VanDerWaalsContact CE-CE 3.47Å; M125-M156 HydrophobicContact SD-CB 4.44Å; M125-M156 HydrophobicContact SD-CE 3.75Å; M125-M156 HydrophobicContact SD-CG 4.49Å; L126-M156 PolarHBondContact O-N 3.07Å; L126-M156 VanDerWaalsContact O-N 3.09Å; V127-M156 WeakPolarHBondContact CA-O 3.15Å; G128-M156 PolarHBondContact N-O 3.16Å; M156-N168 HydrophobicContact SD-CB 4.09Å; M156-A169 HydrophobicContact SD-CB 4.4Å
157	E	98.7	Very high	98.3	Very high	42 Å²	42	52.3 Å²	52.3	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.9	165.6	-67.4	-168.2	163.9	0	0	110.9	G128 C131 R137 T141 F155	G128-E157 CarbonylContact O-C 3.51Å; G128-E157 WeakPolarHBondContact O-CA 3.46Å; C131-E157 HydrophobicContact CB-CB 4.14Å; R137-E157 IonicContact CZ-OE1 3.96Å; R137-E157 VanDerWaalsContact CZ-OE1 3.32Å; R137-E157 IonicContact CZ-OE2 2.93Å; R137-E157 IonicContact NH1-OE1 2.72Å; R137-E157 PolarHBondContact NH1-OE1 3.39Å; R137-E157 IonicContact NH1-OE2 3.86Å; R137-E157 VanDerWaalsContact NH2-CD 3.26Å; R137-E157 IonicContact NH2-OE1 3.08Å; R137-E157 PolarHBondContact NH2-OE1 3.43Å; R137-E157 VanDerWaalsContact NH2-OE1 3.08Å; R137-E157 IonicContact NH2-OE2 2.7Å; R137-E157 PolarHBondContact NH2-OE2 3.05Å; T141-E157 WeakPolarHBondContact CB-OE1 3.49Å; T141-E157 HydrophobicContact CG2-CG 4.37Å; T141-E157 PolarHBondContact OG1-OE1 3.47Å; F155-E157 HydrophobicContact CE1-CG 4.28Å; F155-E157 HydrophobicContact CE2-CG 4.4Å; F155-E157 HydrophobicContact CZ-CG 3.68Å
158	T	98.8	Very high	98.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.3	-177.7	58.1	0	0	0	0	111.8	V127 G128 N129 K130 C131 T164 A169	V127-T158 HydrophobicContact CG1-CG2 3.7Å; V127-T158 WeakPolarHBondContact CG1-OG1 3.17Å; G128-T158 PolarHBondContact O-N 2.91Å; N129-T158 CarbonylContact C-O 3.53Å; N129-T158 WeakPolarHBondContact CA-O 3.44Å; N129-T158 PolarHBondContact OD1-O 3.13Å; N129-T158 PolarHBondContact OD1-OG1 2.86Å; K130-T158 PolarHBondContact N-O 2.91Å; C131-T158 PolarHBondContact N-O 2.91Å; C131-T158 PolarHBondContact SG-O 2.9Å; T158-T164 CarbonylContact C-O 3.48Å; T158-T164 WeakPolarHBondContact CA-O 3.42Å; T158-A169 HydrophobicContact CG2-CB 4.02Å
159	S	98.6	Very high	98.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-129.4	110.7	161.7	175.3	0	0	0	0	108.3	D132 L161 E162 S163 T164 V166	D132-S159 WeakPolarHBondContact CB-OG 3.46Å; D132-S159 VanDerWaalsContact OD1-CB 3.22Å; D132-S159 WeakPolarHBondContact OD1-CB 3.32Å; D132-S159 PolarHBondContact OD1-OG 3.18Å; S159-L161 PolarHBondContact O-N 2.87Å; S159-L161 PolarHBondContact OG-N 3.42Å; S159-E162 PolarHBondContact OG-N 3.4Å; S159-S163 CarbonylContact O-C 3.56Å; S159-S163 WeakPolarHBondContact O-CA 3.35Å; S159-S163 PolarHBondContact O-N 3.33Å; S159-T164 PolarHBondContact N-O 3.06Å; S159-T164 PolarHBondContact O-N 2.79Å; S159-V166 WeakPolarHBondContact O-CG2 3.49Å
160	A	98.4	Very high	98.3	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.1	169.7	0	0	0	0	0	112.3	N31 L32 R35 F41 N129	N31-A160 HydrophobicContact CB-CB 3.81Å; L32-A160 HydrophobicContact CD2-CB 4Å; L32-A160 HydrophobicContact CG-CB 4.28Å; R35-A160 PolarHBondContact NE-O 2.77Å; R35-A160 PolarHBondContact NH2-O 2.94Å; F41-A160 HydrophobicContact CD2-CB 3.97Å; F41-A160 WeakPolarHBondContact CD2-O 3.14Å; F41-A160 HydrophobicContact CE2-CB 4.14Å; N129-A160 PolarHBondContact OD1-N 3.34Å
161	L	97.9	Very high	98.3	Very high	79 Å²	79	47.5 Å²	47.5	41%	0.414	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-56.7	178.3	175	62.8	0	0	0	110.8	R35 F41 D132 S159 S163	R35-L161 PolarHBondContact NH2-O 2.83Å; F41-L161 HydrophobicContact CD1-CD1 3.75Å; F41-L161 HydrophobicContact CD2-CB 4.41Å; F41-L161 HydrophobicContact CE1-CB 4.35Å; F41-L161 HydrophobicContact CE1-CD1 3.46Å; F41-L161 VanDerWaalsContact CE1-CD1 3.46Å; F41-L161 HydrophobicContact CE1-CG 4.47Å; F41-L161 HydrophobicContact CE2-CB 3.97Å; F41-L161 HydrophobicContact CG-CD1 4.42Å; F41-L161 HydrophobicContact CZ-CB 3.94Å; F41-L161 HydrophobicContact CZ-CD1 3.91Å; F41-L161 HydrophobicContact CZ-CG 4.47Å; D132-L161 WeakPolarHBondContact OD2-CD2 3.2Å; S159-L161 PolarHBondContact O-N 2.87Å; S159-L161 PolarHBondContact OG-N 3.42Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 2.9Å
162	E	98.1	Very high	98.3	Very high	110 Å²	110	47.3 Å²	47.3	51%	0.514	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.9	-178.1	-63.9	-177.9	160.9	0	0	113.4	D132 S159 T164	D132-E162 VanDerWaalsContact CB-CD 3.4Å; D132-E162 HydrophobicContact CB-CG 3.76Å; S159-E162 PolarHBondContact OG-N 3.4Å; E162-T164 PolarHBondContact O-N 3.31Å
163	S	97.9	Very high	98.4	Very high	46 Å²	46	44 Å²	44	32%	0.322	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	15.3	-170.2	-162.7	0	0	0	0	114.6	S159 L161 G165	S159-S163 CarbonylContact O-C 3.56Å; S159-S163 WeakPolarHBondContact O-CA 3.35Å; S159-S163 PolarHBondContact O-N 3.33Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 2.9Å; S163-G165 PolarHBondContact O-N 3.02Å
164	T	98.6	Very high	98.4	Very high	63 Å²	63	43.4 Å²	43.4	39%	0.387	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-69.1	124.7	179.7	-59.1	0	0	0	0	110.6	T158 S159 E162 V166	T158-T164 CarbonylContact C-O 3.48Å; T158-T164 WeakPolarHBondContact CA-O 3.42Å; S159-T164 PolarHBondContact N-O 3.06Å; S159-T164 PolarHBondContact O-N 2.79Å; E162-T164 PolarHBondContact O-N 3.31Å; T164-V166 PolarHBondContact O-N 3.39Å
165	G	98.3	Very high	98.4	Very high	16 Å²	16	42.9 Å²	42.9	17%	0.165	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-5.2	172.4	0	0	0	0	0	116.1	S163 N168 A169	S163-G165 PolarHBondContact O-N 3.02Å; G165-N168 PolarHBondContact O-N 2.99Å; G165-A169 WeakPolarHBondContact O-CB 3.36Å; G165-A169 PolarHBondContact O-N 3.31Å
166	V	98.7	Very high	98.3	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-54.6	-175.3	-179.3	0	0	0	0	111	L32 R35 F36 S159 T164 N168 A169 F170	L32-V166 HydrophobicContact CD2-CG1 4.26Å; L32-V166 HydrophobicContact CD2-CG2 3.78Å; R35-V166 HydrophobicContact CB-CG1 4.23Å; R35-V166 HydrophobicContact CG-CB 4.19Å; R35-V166 HydrophobicContact CG-CG1 3.95Å; R35-V166 HydrophobicContact CG-CG2 4.03Å; F36-V166 HydrophobicContact CB-CG1 3.99Å; S159-V166 WeakPolarHBondContact O-CG2 3.49Å; T164-V166 PolarHBondContact O-N 3.39Å; V166-N168 VanDerWaalsContact C-N 3.29Å; V166-N168 PolarHBondContact O-N 2.83Å; V166-A169 PolarHBondContact O-N 2.83Å; V166-F170 HydrophobicContact CG1-CD2 4.1Å; V166-F170 HydrophobicContact CG1-CE2 4.13Å; V166-F170 WeakPolarHBondContact O-CD2 3.38Å; V166-F170 PolarHBondContact O-N 3.26Å
167	E	98	Very high	98.2	Very high	131 Å²	131	40 Å²	40	61%	0.612	21%	0.206	S	C	*	.	H	α-helix	trans	-59.3	-41.9	177.1	-69.1	-169.5	165	0	0	111.6	A169 F170 Y171	E167-A169 PolarHBondContact O-N 2.91Å; E167-F170 PolarHBondContact O-N 3.3Å; E167-Y171 WeakPolarHBondContact O-CB 3.33Å; E167-Y171 PolarHBondContact O-N 2.71Å
168	N	98.5	Very high	98.2	Very high	108 Å²	108	38.3 Å²	38.3	58%	0.578	20%	0.198	S	C	*	.	H	α-helix	trans	-61.5	-43	179.6	-66.3	-12.4	0	0	0	112.2	M156 G165 V166 S172	M156-N168 HydrophobicContact SD-CB 4.09Å; G165-N168 PolarHBondContact O-N 2.99Å; V166-N168 VanDerWaalsContact C-N 3.29Å; V166-N168 PolarHBondContact O-N 2.83Å; N168-S172 WeakPolarHBondContact O-CB 3.05Å; N168-S172 PolarHBondContact O-N 2.86Å
169	A	98.7	Very high	98	Very high	2 Å²	2	42 Å²	42	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-49.6	178.9	0	0	0	0	0	111.4	M125 M156 T158 G165 V166 E167 I173	M125-A169 HydrophobicContact SD-CB 4.05Å; M156-A169 HydrophobicContact SD-CB 4.4Å; T158-A169 HydrophobicContact CG2-CB 4.02Å; G165-A169 WeakPolarHBondContact O-CB 3.36Å; G165-A169 PolarHBondContact O-N 3.31Å; V166-A169 PolarHBondContact O-N 2.83Å; E167-A169 PolarHBondContact O-N 2.91Å; A169-I173 WeakPolarHBondContact O-CG2 3.5Å; A169-I173 PolarHBondContact O-N 3.05Å; A169-I173 VanDerWaalsContact O-N 3.1Å
170	F	98.6	Very high	97.7	Very high	3 Å²	3	44 Å²	44	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-42.6	178.7	-79.6	-77.7	0	0	0	112.5	L21 L32 F36 I69 L93 V166 E167 I173 L174	L21-F170 HydrophobicContact CD1-CZ 4.39Å; L21-F170 HydrophobicContact CD2-CE1 3.98Å; L21-F170 HydrophobicContact CD2-CZ 3.95Å; L32-F170 HydrophobicContact CB-CE2 4.37Å; F36-F170 HydrophobicContact CB-CD2 3.57Å; F36-F170 HydrophobicContact CB-CE2 3.6Å; F36-F170 HydrophobicContact CB-CG 4.23Å; F36-F170 HydrophobicContact CB-CZ 4.28Å; F36-F170 HydrophobicContact CD1-CB 4.11Å; F36-F170 AromaticContact CD1-CD1 3.84Å; F36-F170 HydrophobicContact CD1-CD1 3.84Å; F36-F170 AromaticContact CD1-CD2 3.92Å; F36-F170 HydrophobicContact CD1-CD2 3.92Å; F36-F170 HydrophobicContact CD1-CE1 4.22Å; F36-F170 HydrophobicContact CD1-CE2 4.29Å; F36-F170 AromaticContact CD1-CG 3.68Å; F36-F170 HydrophobicContact CD1-CG 3.68Å; F36-F170 HydrophobicContact CD1-CZ 4.42Å; F36-F170 HydrophobicContact CD2-CB 3.69Å; F36-F170 AromaticContact CD2-CD2 3.77Å; F36-F170 HydrophobicContact CD2-CD2 3.77Å; F36-F170 AromaticContact CD2-CG 3.85Å; F36-F170 HydrophobicContact CD2-CG 3.85Å; F36-F170 HydrophobicContact CE1-CB 3.94Å; F36-F170 HydrophobicContact CE1-CD1 4.03Å; F36-F170 AromaticContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE2-CB 3.5Å; F36-F170 HydrophobicContact CE2-CD2 4.46Å; F36-F170 HydrophobicContact CE2-CG 4.1Å; F36-F170 HydrophobicContact CG-CB 3.99Å; F36-F170 HydrophobicContact CG-CD1 4.24Å; F36-F170 AromaticContact CG-CD2 3.45Å; F36-F170 HydrophobicContact CG-CD2 3.45Å; F36-F170 VanDerWaalsContact CG-CD2 3.45Å; F36-F170 AromaticContact CG-CE2 3.93Å; F36-F170 HydrophobicContact CG-CE2 3.93Å; F36-F170 AromaticContact CG-CG 3.63Å; F36-F170 HydrophobicContact CG-CG 3.63Å; F36-F170 HydrophobicContact CG-CZ 4.5Å; F36-F170 HydrophobicContact CZ-CB 3.63Å; F36-F170 HydrophobicContact CZ-CG 4.15Å; I69-F170 HydrophobicContact CD1-CD1 3.83Å; I69-F170 HydrophobicContact CD1-CE1 3.65Å; I69-F170 HydrophobicContact CG1-CE1 4.33Å; I69-F170 HydrophobicContact CG2-CE1 4Å; L93-F170 HydrophobicContact CD1-CD1 4.02Å; L93-F170 HydrophobicContact CD1-CD2 4.38Å; L93-F170 HydrophobicContact CD1-CE1 3.64Å; L93-F170 HydrophobicContact CD1-CE2 4.04Å; L93-F170 HydrophobicContact CD1-CG 4.38Å; L93-F170 HydrophobicContact CD1-CZ 3.66Å; V166-F170 HydrophobicContact CG1-CD2 4.1Å; V166-F170 HydrophobicContact CG1-CE2 4.13Å; V166-F170 WeakPolarHBondContact O-CD2 3.38Å; V166-F170 PolarHBondContact O-N 3.26Å; E167-F170 PolarHBondContact O-N 3.3Å; F170-I173 VanDerWaalsContact O-CG2 3.27Å; F170-I173 WeakPolarHBondContact O-CG2 3.28Å; F170-L174 WeakPolarHBondContact O-CB 3.22Å; F170-L174 WeakPolarHBondContact O-CD1 3.1Å; F170-L174 WeakPolarHBondContact O-CG 3.26Å; F170-L174 PolarHBondContact O-N 2.85Å; F170-L174 VanDerWaalsContact O-N 3.12Å
171	Y	98.2	Very high	97.4	Very high	86 Å²	86	45.9 Å²	45.9	34%	0.337	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-43.5	177.7	-172.2	-89.8	0	0	0	111.4	I60 E167 L174 R175	I60-Y171 HydrophobicContact CD1-CD2 4.25Å; I60-Y171 HydrophobicContact CD1-CE2 3.99Å; I60-Y171 HydrophobicContact CG1-CD2 4.32Å; I60-Y171 HydrophobicContact CG1-CE2 3.64Å; E167-Y171 WeakPolarHBondContact O-CB 3.33Å; E167-Y171 PolarHBondContact O-N 2.71Å; Y171-L174 PolarHBondContact O-N 3.41Å; Y171-R175 HydrophobicContact CE1-CB 4.44Å; Y171-R175 VanDerWaalsContact O-CB 3.26Å; Y171-R175 WeakPolarHBondContact O-CB 3.43Å; Y171-R175 PolarHBondContact O-N 2.62Å
172	S	98.3	Very high	96.9	Very high	33 Å²	33	49.7 Å²	49.7	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-44.8	-179.8	178.5	0	0	0	0	112.1	N168 R175 T176	N168-S172 WeakPolarHBondContact O-CB 3.05Å; N168-S172 PolarHBondContact O-N 2.86Å; S172-R175 PolarHBondContact O-N 3.3Å; S172-T176 PolarHBondContact O-N 3.4Å; S172-T176 PolarHBondContact O-OG1 2.99Å
173	I	98.3	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-42.3	177.8	-168	166.2	0	0	0	111.3	A92 L93 V123 M125 A169 F170 R175 T176 I177	A92-I173 VanDerWaalsContact O-CD1 3.27Å; A92-I173 WeakPolarHBondContact O-CD1 3.42Å; L93-I173 HydrophobicContact CD2-CB 4.31Å; L93-I173 HydrophobicContact CD2-CD1 3.71Å; L93-I173 HydrophobicContact CD2-CG2 4.1Å; L93-I173 HydrophobicContact CG-CD1 4.48Å; V123-I173 HydrophobicContact CG1-CG1 4.03Å; M125-I173 HydrophobicContact CB-CD1 4.33Å; M125-I173 HydrophobicContact CE-CB 4.25Å; A169-I173 WeakPolarHBondContact O-CG2 3.5Å; A169-I173 PolarHBondContact O-N 3.05Å; A169-I173 VanDerWaalsContact O-N 3.1Å; F170-I173 VanDerWaalsContact O-CG2 3.27Å; F170-I173 WeakPolarHBondContact O-CG2 3.28Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 2.86Å; I173-T176 PolarHBondContact O-N 2.96Å; I173-I177 HydrophobicContact CG1-CD1 4.04Å; I173-I177 WeakPolarHBondContact O-CD1 3.36Å; I173-I177 VanDerWaalsContact O-CG1 3.23Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 2.75Å
174	L	98.4	Very high	95.4	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-39.9	177.6	-69	171.6	0	0	0	111.9	F17 V19 V58 I60 I65 A67 F170 Y171 I177 F178	F17-L174 HydrophobicContact CB-CD2 4.15Å; F17-L174 HydrophobicContact CD2-CD2 3.97Å; V19-L174 HydrophobicContact CG2-CD2 4.03Å; V58-L174 HydrophobicContact CG2-CD1 3.78Å; I60-L174 HydrophobicContact CD1-CB 3.82Å; I65-L174 HydrophobicContact CG2-CD2 4.36Å; A67-L174 HydrophobicContact CB-CD1 3.82Å; A67-L174 HydrophobicContact CB-CD2 3.77Å; A67-L174 HydrophobicContact CB-CG 4.46Å; F170-L174 WeakPolarHBondContact O-CB 3.22Å; F170-L174 WeakPolarHBondContact O-CD1 3.1Å; F170-L174 WeakPolarHBondContact O-CG 3.26Å; F170-L174 PolarHBondContact O-N 2.85Å; F170-L174 VanDerWaalsContact O-N 3.12Å; Y171-L174 PolarHBondContact O-N 3.41Å; L174-I177 PolarHBondContact O-N 3.28Å; L174-F178 WeakPolarHBondContact O-CB 3.45Å; L174-F178 PolarHBondContact O-N 3.47Å
175	R	97.9	Very high	93.7	Very high	85 Å²	85	54.3 Å²	54.3	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-47.1	174.9	-174.2	-178.3	-172.7	116.1	29.2	111.4	I60 D61 Y171 S172 I173 I177 F178 E179	I60-R175 HydrophobicContact CD1-CB 4.04Å; I60-R175 HydrophobicContact CG2-CB 4.29Å; I60-R175 HydrophobicContact CG2-CG 4.04Å; D61-R175 IonicContact OD1-CZ 3.76Å; D61-R175 IonicContact OD1-NH2 2.79Å; D61-R175 PolarHBondContact OD1-NH2 3.02Å; D61-R175 IonicContact OD2-NH2 3.32Å; D61-R175 PolarHBondContact OD2-NH2 2.97Å; Y171-R175 HydrophobicContact CE1-CB 4.44Å; Y171-R175 VanDerWaalsContact O-CB 3.26Å; Y171-R175 WeakPolarHBondContact O-CB 3.43Å; Y171-R175 PolarHBondContact O-N 2.62Å; S172-R175 PolarHBondContact O-N 3.3Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 2.86Å; R175-I177 PolarHBondContact O-N 3.45Å; R175-F178 WeakPolarHBondContact O-CB 3.35Å; R175-F178 PolarHBondContact O-N 3.23Å; R175-E179 WeakPolarHBondContact CG-OE1 3.41Å; R175-E179 IonicContact CZ-OE1 3.87Å; R175-E179 IonicContact NE-OE1 3.76Å; R175-E179 PolarHBondContact NE-OE1 2.98Å; R175-E179 IonicContact NH2-OE1 3.98Å; R175-E179 WeakPolarHBondContact O-CG 3.49Å; R175-E179 PolarHBondContact O-N 3.13Å
176	T	97.3	Very high	91.8	Very high	27 Å²	27	58.5 Å²	58.5	17%	0.166	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-41.7	179.2	-59.2	0	0	0	0	111.9	V123 F154 S172 I173 F178 E179 A180	V123-T176 HydrophobicContact CG1-CG2 3.67Å; V123-T176 HydrophobicContact CG2-CG2 4.16Å; F154-T176 HydrophobicContact CE2-CG2 3.66Å; F154-T176 HydrophobicContact CZ-CG2 3.66Å; S172-T176 PolarHBondContact O-N 3.4Å; S172-T176 PolarHBondContact O-OG1 2.99Å; I173-T176 PolarHBondContact O-N 2.96Å; T176-F178 VanDerWaalsContact C-N 3.34Å; T176-E179 PolarHBondContact O-N 2.92Å; T176-A180 PolarHBondContact O-N 3.4Å
177	I	97.3	Very high	89.4	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-47.8	173.3	-64.4	157	0	0	0	109.9	F17 V19 V90 V123 I173 L174 R175 E179 A180 V181	F17-I177 HydrophobicContact CD1-CG2 4Å; F17-I177 HydrophobicContact CD2-CB 4.09Å; F17-I177 HydrophobicContact CD2-CG2 3.69Å; F17-I177 HydrophobicContact CE1-CG2 3.94Å; F17-I177 HydrophobicContact CE2-CB 3.99Å; F17-I177 HydrophobicContact CE2-CG2 3.61Å; F17-I177 HydrophobicContact CG-CG2 3.91Å; F17-I177 HydrophobicContact CZ-CG2 3.77Å; V19-I177 HydrophobicContact CG2-CD1 4.14Å; V90-I177 HydrophobicContact CB-CG2 4.15Å; V90-I177 HydrophobicContact CG2-CD1 4.2Å; V90-I177 HydrophobicContact CG2-CG2 3.83Å; V123-I177 HydrophobicContact CB-CG1 3.85Å; V123-I177 HydrophobicContact CG1-CG1 4.47Å; V123-I177 HydrophobicContact CG2-CG1 3.82Å; I173-I177 HydrophobicContact CG1-CD1 4.04Å; I173-I177 WeakPolarHBondContact O-CD1 3.36Å; I173-I177 VanDerWaalsContact O-CG1 3.23Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 2.75Å; L174-I177 PolarHBondContact O-N 3.28Å; R175-I177 PolarHBondContact O-N 3.45Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 2.96Å; I177-A180 PolarHBondContact O-N 3.37Å; I177-V181 HydrophobicContact CG2-CG2 4.29Å; I177-V181 WeakPolarHBondContact O-CG2 3.34Å; I177-V181 PolarHBondContact O-N 2.89Å
178	F	96.8	Very high	86.6	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-58.2	-44.1	179.1	174.3	-112.8	0	0	0	112.2	Y15 F17 I60 D61 R63 I65 L174 R175 T176 A180 V181 R182	Y15-F178 HydrophobicContact CD2-CD2 4.09Å; Y15-F178 AromaticContact CD2-CE2 3.96Å; Y15-F178 HydrophobicContact CD2-CE2 3.96Å; Y15-F178 HydrophobicContact CE1-CE2 4.42Å; Y15-F178 AromaticContact CE2-CD2 3.96Å; Y15-F178 HydrophobicContact CE2-CD2 3.96Å; Y15-F178 AromaticContact CE2-CE2 3.41Å; Y15-F178 HydrophobicContact CE2-CE2 3.41Å; Y15-F178 VanDerWaalsContact CE2-CE2 3.41Å; Y15-F178 HydrophobicContact CG-CD2 4.48Å; Y15-F178 AromaticContact CZ-CE2 3.67Å; F17-F178 HydrophobicContact CE2-CB 3.92Å; F17-F178 HydrophobicContact CZ-CB 4.17Å; F17-F178 HydrophobicContact CZ-CD2 4.5Å; I60-F178 HydrophobicContact CG2-CD1 3.92Å; I60-F178 HydrophobicContact CG2-CE1 4.45Å; D61-F178 HydrophobicContact CB-CE1 3.92Å; R63-F178 HydrophobicContact CB-CE2 4.2Å; R63-F178 HydrophobicContact CB-CZ 4.25Å; R63-F178 HydrophobicContact CG-CE2 3.99Å; R63-F178 HydrophobicContact CG-CZ 3.79Å; I65-F178 HydrophobicContact CD1-CB 3.87Å; I65-F178 HydrophobicContact CD1-CD2 4.2Å; I65-F178 HydrophobicContact CD1-CG 4.05Å; L174-F178 WeakPolarHBondContact O-CB 3.45Å; L174-F178 PolarHBondContact O-N 3.47Å; R175-F178 WeakPolarHBondContact O-CB 3.35Å; R175-F178 PolarHBondContact O-N 3.23Å; T176-F178 VanDerWaalsContact C-N 3.34Å; F178-A180 PolarHBondContact O-N 2.97Å; F178-V181 PolarHBondContact O-N 2.97Å; F178-R182 VanDerWaalsContact O-CB 3.23Å; F178-R182 WeakPolarHBondContact O-CB 3.08Å; F178-R182 PolarHBondContact O-N 2.7Å
179	E	95.7	Very high	83.7	Confident	77 Å²	77	66.2 Å²	66.2	36%	0.36	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-41.9	177.2	-73.5	170.1	-175.8	0	0	112	R175 T176 I177 R182 S183	R175-E179 WeakPolarHBondContact CG-OE1 3.41Å; R175-E179 IonicContact CZ-OE1 3.87Å; R175-E179 IonicContact NE-OE1 3.76Å; R175-E179 PolarHBondContact NE-OE1 2.98Å; R175-E179 IonicContact NH2-OE1 3.98Å; R175-E179 WeakPolarHBondContact O-CG 3.49Å; R175-E179 PolarHBondContact O-N 3.13Å; T176-E179 PolarHBondContact O-N 2.92Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 2.96Å; E179-R182 PolarHBondContact O-N 3.08Å; E179-S183 PolarHBondContact O-N 2.71Å; E179-S183 PolarHBondContact O-OG 2.56Å
180	A	92.8	Very high	80.9	Confident	44 Å²	44	74.8 Å²	74.8	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-65.7	-43.2	176.7	0	0	0	0	0	112.8	T176 I177 F178 R182 S183 H184	T176-A180 PolarHBondContact O-N 3.4Å; I177-A180 PolarHBondContact O-N 3.37Å; F178-A180 PolarHBondContact O-N 2.97Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-S183 PolarHBondContact O-N 2.72Å; A180-S183 PolarHBondContact O-OG 3.44Å; A180-S183 VanDerWaalsContact O-OG 3.05Å; A180-H184 PolarHBondContact O-N 2.84Å; A180-H184 VanDerWaalsContact O-N 3.13Å
181	V	90.9	Very high	78.1	Confident	41 Å²	41	80.2 Å²	80.2	25%	0.248	43%	0.433	C	S	.	.	H	α-helix	trans	-67.5	-35.9	176.2	175.7	0	0	0	0	111.2	Y15 F17 I177 F178 H184 P185	Y15-V181 HydrophobicContact CD1-CG1 4.41Å; Y15-V181 HydrophobicContact CE1-CG1 4.09Å; F17-V181 HydrophobicContact CE1-CG2 4.3Å; F17-V181 HydrophobicContact CZ-CG2 4.49Å; I177-V181 HydrophobicContact CG2-CG2 4.29Å; I177-V181 WeakPolarHBondContact O-CG2 3.34Å; I177-V181 PolarHBondContact O-N 2.89Å; F178-V181 PolarHBondContact O-N 2.97Å; V181-H184 CarbonylContact O-C 3.13Å; V181-H184 PolarHBondContact O-N 3.13Å; V181-P185 WeakPolarHBondContact O-CA 3.23Å
182	R	88.3	Confident	75.5	Confident	160 Å²	160	82.3 Å²	82.3	60%	0.604	45%	0.447	S	S	*	.	H	α-helix	trans	-70.2	-34.8	179.1	-170.9	176.5	68.6	92.1	-0.4	112.5	F178 E179 A180	F178-R182 VanDerWaalsContact O-CB 3.23Å; F178-R182 WeakPolarHBondContact O-CB 3.08Å; F178-R182 PolarHBondContact O-N 2.7Å; E179-R182 PolarHBondContact O-N 3.08Å; A180-R182 VanDerWaalsContact C-N 3.33Å
183	S	84.9	Confident	72.3	Confident	74 Å²	74	89.1 Å²	89.1	52%	0.517	47%	0.473	S	S	.	.	H	α-helix	trans	-76.3	-26.3	175.3	63	0	0	0	0	112.9	E179 A180	E179-S183 PolarHBondContact O-N 2.71Å; E179-S183 PolarHBondContact O-OG 2.56Å; A180-S183 PolarHBondContact O-N 2.72Å; A180-S183 PolarHBondContact O-OG 3.44Å; A180-S183 VanDerWaalsContact O-OG 3.05Å
184	H	79	Confident	69.4	Low	148 Å²	148	95.1 Å²	95.1	69%	0.685	50%	0.503	S	S	*	.	S	Bend	trans	-128.6	72.4	178.6	-57.8	-67	0	0	0	111	A180 V181	A180-H184 PolarHBondContact O-N 2.84Å; A180-H184 VanDerWaalsContact O-N 3.13Å; V181-H184 CarbonylContact O-C 3.13Å; V181-H184 PolarHBondContact O-N 3.13Å
185	P	64.2	Low	66.4	Low	94 Å²	94	99.4 Å²	99.4	61%	0.61	53%	0.533	S	S	*	.			trans	-60.9	132.6	178.4	23.9	-31.9	0	0	0	109.8	V181 V187	V181-P185 WeakPolarHBondContact O-CA 3.23Å; P185-V187 PolarHBondContact O-N 3.26Å
186	P	57.9	Low	63.9	Low	104 Å²	104	99.6 Å²	99.6	68%	0.675	55%	0.545	S	S	*	.			trans	-59.3	135.4	176.9	22.5	-31.1	0	0	0	110	S188	P186-S188 PolarHBondContact O-N 3.23Å
187	V	48.7	Very low	60.9	Low	141 Å²	141	107.3 Å²	107.3	86%	0.855	57%	0.572	S	S	*	*	S	Bend	trans	-68.5	96.4	178.4	-169.3	0	0	0	0	108.5	P185	P185-V187 PolarHBondContact O-N 3.26Å
188	S	39.2	Very low	58	Low	95 Å²	95	111.4 Å²	111.4	66%	0.664	60%	0.599	S	S	*	*	S	Bend	trans	61.2	122.9	174.4	64.9	0	0	0	0	117.6	P186 M190	P186-S188 PolarHBondContact O-N 3.23Å; S188-M190 PolarHBondContact O-N 2.86Å
189	N	37.3	Very low	55.1	Low	166 Å²	166	118.6 Å²	118.6	89%	0.888	64%	0.638	S	S	*	*			trans	2.5	77.4	162.1	-69.8	-6	0	0	0	116.9
190	M	40.1	Very low	52.3	Low	182 Å²	182	123.5 Å²	123.5	90%	0.897	66%	0.661	S	S	*	*			trans	-89.7	104.7	150	-76.6	-167.6	-176.7	0	0	107	S188 M192	S188-M190 PolarHBondContact O-N 2.86Å; M190-M192 PolarHBondContact O-N 3.27Å
191	D	39.8	Very low	49.6	Very low	116 Å²	116	126.6 Å²	126.6	62%	0.62	68%	0.677	S	S	*	*			trans	-41.3	101.2	163.6	-75.7	-79.7	0	0	0	109.7	K193	D191-K193 HydrophobicContact CB-CB 4.38Å; D191-K193 HydrophobicContact CB-CD 4.27Å; D191-K193 HydrophobicContact CB-CG 4.15Å; D191-K193 PolarHBondContact O-N 2.93Å; D191-K193 VanDerWaalsContact OD1-CE 3.3Å; D191-K193 WeakPolarHBondContact OD1-CE 3.48Å; D191-K193 IonicContact OD1-NZ 3.25Å; D191-K193 PolarHBondContact OD1-NZ 3.27Å
192	M	43.1	Very low	46.8	Very low	130 Å²	130	131.9 Å²	131.9	64%	0.64	70%	0.702	S	S	*	*			trans	-70.6	60.6	158	-100.4	-175	145.1	0	0	108.3	M190 M194	M190-M192 PolarHBondContact O-N 3.27Å; M192-M194 PolarHBondContact O-N 3.29Å
193	K	31.4	Very low	44	Very low	176 Å²	176	130.6 Å²	130.6	77%	0.765	71%	0.712	S	S	*	*			trans	-93.8	77.7	165.2	-73.6	177.9	-175.7	159.8	0	107.3	D191	D191-K193 HydrophobicContact CB-CB 4.38Å; D191-K193 HydrophobicContact CB-CD 4.27Å; D191-K193 HydrophobicContact CB-CG 4.15Å; D191-K193 PolarHBondContact O-N 2.93Å; D191-K193 VanDerWaalsContact OD1-CE 3.3Å; D191-K193 WeakPolarHBondContact OD1-CE 3.48Å; D191-K193 IonicContact OD1-NZ 3.25Å; D191-K193 PolarHBondContact OD1-NZ 3.27Å
194	M	37.2	Very low	41.6	Very low	127 Å²	127	131.6 Å²	131.6	63%	0.626	72%	0.719	S	S	*	*			trans	-84.9	123.9	165.5	-118.6	168.1	72.5	0	0	108.8	M192	M192-M194 PolarHBondContact O-N 3.29Å
195	S	34.5	Very low	39.7	Very low	91 Å²	91	129.6 Å²	129.6	64%	0.636	72%	0.719	S	S	*	*			trans	-57.7	134.7	173.8	173.2	0	0	0	0	110.6	Y197	S195-Y197 PolarHBondContact O-N 3.36Å
196	P	44.8	Very low	38.1	Very low	89 Å²	89	132.3 Å²	132.3	58%	0.578	73%	0.729	S	S	*	*	S	Bend	trans	-73	8.8	-175.1	25.1	-30.9	0	0	0	115.9
197	Y	35.1	Very low	37.1	Very low	188 Å²	188	133.7 Å²	133.7	74%	0.737	74%	0.735	S	S	*	*			trans	-135.6	96.4	-177.5	-56.1	-74.4	0	0	0	112.8	S195 N199	S195-Y197 PolarHBondContact O-N 3.36Å; Y197-N199 PolarHBondContact O-N 3.12Å
198	P	37.6	Very low	36.4	Very low	90 Å²	90	133.6 Å²	133.6	58%	0.584	73%	0.73	S	S	*	*	S	Bend	trans	-73.9	110	150.1	27.6	-19.5	0	0	0	106.8
199	N	35.1	Very low	36.1	Very low	158 Å²	158	132.7 Å²	132.7	85%	0.845	74%	0.736	S	S	*	*			trans	9.7	117.7	171.1	-71.8	-26.6	0	0	0	117.2	Y197	Y197-N199 PolarHBondContact O-N 3.12Å
200	Q	36.2	Very low	35.9	Very low	179 Å²	179	130 Å²	130	84%	0.836	73%	0.731	S	S	*	*			trans	-44.1	136.6	170	-72.6	177.9	-33	0	0	111.7	I202	Q200-I202 PolarHBondContact O-N 3.22Å
201	P	36.1	Very low	35.5	Very low	109 Å²	109	131.1 Å²	131.1	71%	0.708	73%	0.73	S	S	*	*			trans	-63.7	133.2	176.7	25.3	-31.5	0	0	0	109.8	V203	P201-V203 PolarHBondContact O-N 3.41Å
202	I	31.9	Very low	35.2	Very low	152 Å²	152	131.6 Å²	131.6	78%	0.779	74%	0.743	S	S	*	*			trans	-56.3	105	169.6	-62.1	169.7	0	0	0	107.2	Q200 S204	Q200-I202 PolarHBondContact O-N 3.22Å; I202-S204 WeakPolarHBondContact CG2-OG 3.28Å; I202-S204 PolarHBondContact O-N 2.65Å
203	V	29.9	Very low	34.8	Very low	133 Å²	133	128.8 Å²	128.8	81%	0.806	75%	0.747	S	S	*	*			trans	-64.8	103.1	160	178.3	0	0	0	0	105.8	P201	P201-V203 PolarHBondContact O-N 3.41Å
204	S	34.8	Very low	34.8	Very low	95 Å²	95	131.9 Å²	131.9	66%	0.664	75%	0.754	S	S	*	*			trans	-102	128.3	158.1	-65.4	0	0	0	0	107.8	I202	I202-S204 WeakPolarHBondContact CG2-OG 3.28Å; I202-S204 PolarHBondContact O-N 2.65Å
205	P	39.2	Very low	34.6	Very low	106 Å²	106	137.1 Å²	137.1	69%	0.688	77%	0.766	S	S	*	*			trans	-77.3	152.5	-160.6	6.8	7.9	0	0	0	111.6	T207	P205-T207 PolarHBondContact O-N 2.94Å
206	N	31.2	Very low	34.3	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	77%	0.774	S	S	*	*			trans	-43.7	101.8	154.6	-68.6	-23.8	0	0	0	109.2	D208	N206-D208 VanDerWaalsContact C-N 3.28Å; N206-D208 PolarHBondContact O-N 2.9Å
207	T	37.1	Very low	33.6	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	79%	0.787	S	S	*	*			trans	-79.3	94.9	153.2	52	0	0	0	0	105.5	P205 G209	P205-T207 PolarHBondContact O-N 2.94Å; T207-G209 PolarHBondContact O-N 3.32Å
208	D	33.7	Very low	34.1	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	82%	0.819	S	S	*	*			trans	-44	111	157.5	-80	-39.8	0	0	0	108.2	N206 S210	N206-D208 VanDerWaalsContact C-N 3.28Å; N206-D208 PolarHBondContact O-N 2.9Å; D208-S210 PolarHBondContact O-N 3.39Å
209	G	32.8	Very low	33.9	Very low	77 Å²	77	143.3 Å²	143.3	79%	0.794	83%	0.83	S	S	*	*			trans	-68	69.8	166.3	0	0	0	0	0	109.2	T207 K211	T207-G209 PolarHBondContact O-N 3.32Å; G209-K211 VanDerWaalsContact C-N 3.34Å; G209-K211 PolarHBondContact O-N 3.11Å
210	S	33.3	Very low	33.9	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	83%	0.829	S	S	*	*			trans	-65.4	98.7	163.7	49.6	0	0	0	0	107.6	D208 S212	D208-S210 PolarHBondContact O-N 3.39Å; S210-S212 PolarHBondContact O-N 3.28Å
211	K	30.3	Very low	33.7	Very low	204 Å²	204	140.4 Å²	140.4	89%	0.887	83%	0.829	S	S	*	*			trans	-57	129.1	156.9	-71.8	176.5	176.3	175.1	0	108.1	G209	G209-K211 VanDerWaalsContact C-N 3.34Å; G209-K211 PolarHBondContact O-N 3.11Å
212	S	33.9	Very low	33.6	Very low	127 Å²	127	142.3 Å²	142.3	89%	0.888	84%	0.836	S	S	*	*			trans	133.8	124.5	144.9	-173.7	0	0	0	0	111.7	S210	S210-S212 PolarHBondContact O-N 3.28Å
213	G	34.8	Very low	33.7	Very low	70 Å²	70	141.7 Å²	141.7	72%	0.722	84%	0.84	S	S	*	*			trans	137.7	58.9	162.3	0	0	0	0	0	116.1
214	R	31.4	Very low	33.9	Very low	242 Å²	242	142.3 Å²	142.3	91%	0.913	84%	0.842	S	S	*	*			trans	-60.7	148.5	155.1	-83.3	175.9	170.2	168.8	-4	110.1
215	R	32.8	Very low	33.9	Very low	236 Å²	236	145.6 Å²	145.6	89%	0.891	86%	0.855	S	S	*	*			trans	122.7	136.6	158.3	-74.3	-179.2	171.8	-175.1	-2.4	111.5
216	C	28.8	Very low	33.5	Very low	117 Å²	117	148.7 Å²	148.7	79%	0.791	87%	0.868	S	S	*	*			cis	-159	158	1.7	-100.1	0	0	0	0	108.3
217	C	30.2	Very low	33.7	Very low	126 Å²	126	148.5 Å²	148.5	85%	0.851	87%	0.873	S	S	*	*			trans	-72	138	167.6	-50.1	0	0	0	0	111.8
218	S	45.1	Very low	33.4	Very low	201 Å²	201	149.9 Å²	149.9	100%	1.406	88%	0.878	S	S	*	*			trans	-166.9	0	135.8	-74.3	0	0	0	0	107.8

Retrieved 218 of 218 residues in 340.5 ms (Link to these results)

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