A0A077Z075_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z075, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 100 aa.

						>A0A077Z075_TRITR|A0A077Z075
MDGYEHHETKVYVGGLPDRASRSEIEAVFSRFGQLRNVWVARRPSGFAFVEFEDGRDAEDAVRSLDGTKLCGVKVRVEISHGRRRDRGRFEDGYRSDRRR
					

Structure Viewer

Loading PAE data...

(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	35.5	Very low	59.1	Low	238 Å²	238	107.2 Å²	107.2	100%	1.172	53%	0.534	S	S	*	.				0	114	0	-158.7	170.1	-159.3	0	0	105.7	G3	M1-G3 PolarHBondContact O-N 2.77Å; M1-G3 VanDerWaalsContact O-N 3.14Å
2	D	39.9	Very low	61.7	Low	140 Å²	140	104.2 Å²	104.2	75%	0.749	51%	0.513	S	S	*	.			trans	-51.1	115.4	-168.1	-54.2	-95.1	0	0	0	109.7	Y4	D2-Y4 PolarHBondContact O-N 3.14Å
3	G	44.1	Very low	63.8	Low	64 Å²	64	96.4 Å²	96.4	66%	0.66	48%	0.475	S	S	*	.			trans	-67	82.5	167.7	0	0	0	0	0	106.6	M1 E5	M1-G3 PolarHBondContact O-N 2.77Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-E5 VanDerWaalsContact C-N 3.29Å; G3-E5 PolarHBondContact O-N 2.66Å
4	Y	48	Very low	65.6	Low	184 Å²	184	89.6 Å²	89.6	72%	0.722	44%	0.442	S	S	*	.			trans	-47.4	109.1	161.4	-88.3	-91.2	0	0	0	104.4	D2 H6 R85	D2-Y4 PolarHBondContact O-N 3.14Å; Y4-H6 PolarHBondContact O-N 2.75Å; Y4-H6 PolarHBondContact O-ND1 2.75Å; Y4-R85 PolarHBondContact O-NH2 3.48Å
5	E	49.3	Very low	66.8	Low	142 Å²	142	86.7 Å²	86.7	66%	0.664	45%	0.445	S	S	*	.			trans	-53.9	94.2	167.7	-61.4	-158	91.4	0	0	104.3	G3 H7 R85	G3-E5 VanDerWaalsContact C-N 3.29Å; G3-E5 PolarHBondContact O-N 2.66Å; E5-H7 WeakPolarHBondContact CB-NE2 3.46Å; E5-H7 PolarHBondContact O-CD2 2.71Å; E5-H7 PolarHBondContact O-N 2.8Å; E5-H7 IonicContact OE2-NE2 3.43Å; E5-R85 VanDerWaalsContact CA-NH2 3.33Å
6	H	51.5	Low	67.8	Low	116 Å²	116	82.3 Å²	82.3	54%	0.537	42%	0.422	S	S	.	.			trans	-75.1	73.7	174.6	-71.9	74.7	0	0	0	102.8	Y4 E8 R85	Y4-H6 PolarHBondContact O-N 2.75Å; Y4-H6 PolarHBondContact O-ND1 2.75Å; H6-E8 PolarHBondContact O-N 3.25Å; H6-R85 VanDerWaalsContact N-NH2 3.14Å
7	H	58	Low	68.4	Low	88 Å²	88	79.2 Å²	79.2	41%	0.407	41%	0.409	S	S	.	.			trans	-54.5	124.7	160.7	-68.3	-77.4	0	0	0	104.9	E5 T9	E5-H7 WeakPolarHBondContact CB-NE2 3.46Å; E5-H7 PolarHBondContact O-CD2 2.71Å; E5-H7 PolarHBondContact O-N 2.8Å; E5-H7 IonicContact OE2-NE2 3.43Å; H7-T9 WeakPolarHBondContact O-CG2 3.34Å; H7-T9 PolarHBondContact O-N 2.83Å
8	E	67.5	Low	68.8	Low	97 Å²	97	83.2 Å²	83.2	45%	0.453	43%	0.431	S	S	.	.			trans	-71.7	98.7	-170	-70	159.8	82.7	0	0	108.3	H6 K10 I79 H81	H6-E8 PolarHBondContact O-N 3.25Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-I79 HydrophobicContact CB-CG2 4.08Å; E8-H81 WeakPolarHBondContact OE1-CA 3.25Å; E8-H81 IonicContact OE1-CE1 3.76Å; E8-H81 IonicContact OE1-CG 3.46Å; E8-H81 IonicContact OE1-ND1 2.69Å; E8-H81 PolarHBondContact OE1-ND1 2.83Å; E8-H81 IonicContact OE2-ND1 3.93Å
9	T	80.8	Confident	69.1	Low	20 Å²	20	89.6 Å²	89.6	12%	0.123	45%	0.449	C	S	.	.			trans	-89.5	-3.2	-173.6	75	0	0	0	0	113.3	H7 E51 F52	H7-T9 WeakPolarHBondContact O-CG2 3.34Å; H7-T9 PolarHBondContact O-N 2.83Å; T9-E51 CarbonylContact O-C 3.39Å; T9-E51 WeakPolarHBondContact O-CA 3.48Å; T9-E51 WeakPolarHBondContact OG1-CG 3.34Å; T9-F52 WeakPolarHBondContact CB-O 3.23Å; T9-F52 WeakPolarHBondContact CG2-O 3.42Å; T9-F52 PolarHBondContact O-N 3.48Å; T9-F52 PolarHBondContact OG1-O 2.94Å
10	K	85.7	Confident	69.5	Low	90 Å²	90	86 Å²	86	39%	0.391	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.9	-179.2	-64.3	176.3	-172.2	-74.1	0	110.4	E8 V50 E51 S80	E8-K10 VanDerWaalsContact C-N 3.33Å; K10-V50 CarbonylContact C-O 3.49Å; K10-V50 WeakPolarHBondContact CA-O 3.39Å; K10-E51 WeakPolarHBondContact CE-OE2 3.34Å; K10-E51 HydrophobicContact CG-CG 4.15Å; K10-E51 IonicContact NZ-OE2 2.61Å; K10-E51 PolarHBondContact NZ-OE2 3.39Å; K10-S80 WeakPolarHBondContact O-CA 3.49Å; K10-S80 WeakPolarHBondContact O-CB 3.46Å; K10-S80 PolarHBondContact O-N 3.28Å
11	V	89.6	Confident	70	Confident	0 Å²	0	85.1 Å²	85.1	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128	-180	174	0	0	0	0	108.5	V13 F29 F49 V50 F52 A58 V62 V77 E78 I79	V11-V13 HydrophobicContact CG1-CG2 4.19Å; V11-F29 HydrophobicContact CB-CE1 4.48Å; V11-F29 HydrophobicContact CG1-CE1 3.67Å; V11-F29 HydrophobicContact CG1-CZ 4.04Å; V11-F49 CarbonylContact O-C 3.54Å; V11-F49 WeakPolarHBondContact O-CA 3.22Å; V11-V50 HydrophobicContact CB-CB 4.21Å; V11-V50 PolarHBondContact N-O 2.89Å; V11-V50 PolarHBondContact O-N 3.04Å; V11-F52 HydrophobicContact CG2-CD2 3.8Å; V11-F52 HydrophobicContact CG2-CE2 3.86Å; V11-A58 HydrophobicContact CG2-CB 3.76Å; V11-V62 HydrophobicContact CB-CG2 4.04Å; V11-V62 HydrophobicContact CG1-CG2 3.44Å; V11-V62 VanDerWaalsContact CG1-CG2 3.44Å; V11-V62 HydrophobicContact CG2-CG2 3.53Å; V11-V77 HydrophobicContact CG1-CG1 3.37Å; V11-E78 CarbonylContact C-O 3.47Å; V11-E78 WeakPolarHBondContact CA-O 3.21Å; V11-I79 HydrophobicContact CG2-CD1 4.11Å
12	Y	90.3	Very high	72.3	Confident	71 Å²	71	81.5 Å²	81.5	28%	0.278	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.9	169.8	171.7	-100.3	0	0	0	110	F47 F49 V77 E78	Y12-F47 HydrophobicContact CE2-CB 3.8Å; Y12-F47 HydrophobicContact CE2-CD2 4.1Å; Y12-F47 HydrophobicContact CE2-CG 4.3Å; Y12-F49 HydrophobicContact CD2-CD1 4.27Å; Y12-F49 HydrophobicContact CD2-CD2 4.45Å; Y12-F49 AromaticContact CD2-CE1 3.71Å; Y12-F49 HydrophobicContact CD2-CE1 3.71Å; Y12-F49 AromaticContact CD2-CE2 3.96Å; Y12-F49 HydrophobicContact CD2-CE2 3.96Å; Y12-F49 AromaticContact CD2-CZ 3.57Å; Y12-F49 HydrophobicContact CD2-CZ 3.57Å; Y12-F49 HydrophobicContact CE2-CE2 4.32Å; Y12-F49 HydrophobicContact CE2-CZ 4.15Å; Y12-F49 HydrophobicContact CG-CE1 4.41Å; Y12-V77 CarbonylContact O-C 3.6Å; Y12-V77 VanDerWaalsContact O-CA 3.31Å; Y12-V77 WeakPolarHBondContact O-CA 3.43Å; Y12-E78 HydrophobicContact CD1-CB 4.4Å; Y12-E78 PolarHBondContact N-O 3.03Å; Y12-E78 PolarHBondContact O-N 2.88Å
13	V	89.2	Confident	74.5	Confident	3 Å²	3	78.7 Å²	78.7	2%	0.018	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	110.6	178.9	-168.4	0	0	0	0	107.7	V11 L16 I25 F29 F47 A48 V50 R76 V77	V11-V13 HydrophobicContact CG1-CG2 4.19Å; V13-L16 HydrophobicContact CB-CD1 4.4Å; V13-L16 HydrophobicContact CG1-CD1 4.01Å; V13-L16 HydrophobicContact CG1-CD2 3.81Å; V13-L16 HydrophobicContact CG1-CG 4.04Å; V13-I25 HydrophobicContact CG2-CG2 4.38Å; V13-F29 HydrophobicContact CG1-CE2 4.24Å; V13-F29 HydrophobicContact CG1-CZ 4.41Å; V13-F29 HydrophobicContact CG2-CE1 4.37Å; V13-F29 HydrophobicContact CG2-CE2 3.51Å; V13-F29 HydrophobicContact CG2-CZ 3.37Å; V13-F47 CarbonylContact O-C 3.48Å; V13-F47 WeakPolarHBondContact O-CA 3.47Å; V13-A48 HydrophobicContact CB-CB 4.26Å; V13-A48 PolarHBondContact N-O 3.47Å; V13-A48 PolarHBondContact O-N 2.73Å; V13-V50 HydrophobicContact CG2-CG2 4.06Å; V13-R76 CarbonylContact C-O 3.53Å; V13-R76 WeakPolarHBondContact CA-O 3.47Å; V13-V77 HydrophobicContact CG1-CG2 4.28Å
14	G	88.5	Confident	76.4	Confident	2 Å²	2	80.2 Å²	80.2	2%	0.021	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	168.9	180	0	0	0	0	0	112.8	L16 G46 V75 R76	G14-L16 VanDerWaalsContact C-N 3.29Å; G14-G46 CarbonylContact C-O 3.5Å; G14-V75 CarbonylContact O-C 3.56Å; G14-V75 WeakPolarHBondContact O-CA 3.4Å; G14-R76 PolarHBondContact N-O 3.12Å; G14-R76 PolarHBondContact O-N 3.25Å
15	G	84.4	Confident	78.2	Confident	46 Å²	46	71.5 Å²	71.5	47%	0.474	36%	0.356	S	S	.	.	S	Bend	trans	74.7	22.2	-179.7	0	0	0	0	0	113.4	G46	G15-G46 PolarHBondContact N-O 3.31Å
16	L	82.4	Confident	80.1	Confident	15 Å²	15	69.2 Å²	69.2	8%	0.079	35%	0.345	C	S	.	.			trans	-73.6	137.1	179.3	-68.3	171.6	0	0	0	110.5	V13 G14 A20 I25 G46 A48 L70 V75	V13-L16 HydrophobicContact CB-CD1 4.4Å; V13-L16 HydrophobicContact CG1-CD1 4.01Å; V13-L16 HydrophobicContact CG1-CD2 3.81Å; V13-L16 HydrophobicContact CG1-CG 4.04Å; G14-L16 VanDerWaalsContact C-N 3.29Å; L16-A20 HydrophobicContact CB-CB 3.76Å; L16-A20 HydrophobicContact CD2-CB 3.73Å; L16-A20 HydrophobicContact CG-CB 4.2Å; L16-I25 HydrophobicContact CD1-CD1 3.46Å; L16-I25 VanDerWaalsContact CD1-CD1 3.46Å; L16-I25 HydrophobicContact CD1-CG1 4.34Å; L16-I25 HydrophobicContact CD2-CD1 4.47Å; L16-G46 PolarHBondContact N-O 2.83Å; L16-G46 VanDerWaalsContact N-O 3.11Å; L16-G46 WeakPolarHBondContact O-CA 3.35Å; L16-A48 HydrophobicContact CD1-CB 3.84Å; L16-L70 HydrophobicContact CD2-CD2 3.97Å; L16-V75 HydrophobicContact CD2-CG1 3.81Å
17	P	77.7	Confident	81.8	Confident	31 Å²	31	66.6 Å²	66.6	20%	0.201	34%	0.343	C	S	.	.			trans	-71.1	165.4	172.9	31.5	-32.6	0	0	0	110.4	R19 A20 C71 V73	P17-R19 PolarHBondContact O-N 2.75Å; P17-A20 HydrophobicContact CG-CB 3.98Å; P17-A20 WeakPolarHBondContact O-CB 2.97Å; P17-A20 PolarHBondContact O-N 3.45Å; P17-C71 HydrophobicContact CG-CB 4.19Å; P17-V73 HydrophobicContact CB-CG2 3.88Å; P17-V73 HydrophobicContact CG-CG2 3.69Å
18	D	75.5	Confident	83.2	Confident	151 Å²	151	64 Å²	64	81%	0.807	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.6	174.2	-176.5	-108.2	0	0	0	113.1
19	R	75.3	Confident	84.1	Confident	205 Å²	205	59.7 Å²	59.7	77%	0.774	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.1	176.2	-60.8	-169.2	-168	-172.4	4.9	114.4	P17 S21	P17-R19 PolarHBondContact O-N 2.75Å; R19-S21 PolarHBondContact O-N 2.61Å; R19-S21 VanDerWaalsContact O-N 3.16Å
20	A	76.4	Confident	84.4	Confident	17 Å²	17	62 Å²	62	14%	0.14	33%	0.33	C	S	.	.			trans	-75.1	112.5	-176.8	0	0	0	0	0	110.3	L16 P17	L16-A20 HydrophobicContact CB-CB 3.76Å; L16-A20 HydrophobicContact CD2-CB 3.73Å; L16-A20 HydrophobicContact CG-CB 4.2Å; P17-A20 HydrophobicContact CG-CB 3.98Å; P17-A20 WeakPolarHBondContact O-CB 2.97Å; P17-A20 PolarHBondContact O-N 3.45Å
21	S	81.3	Confident	84.5	Confident	67 Å²	67	68.3 Å²	68.3	47%	0.469	35%	0.352	S	S	.	.			trans	-108.6	165.2	179.9	-67.2	0	0	0	0	110.6	R19 S23 E24 I25	R19-S21 PolarHBondContact O-N 2.61Å; R19-S21 VanDerWaalsContact O-N 3.16Å; S21-S23 PolarHBondContact O-N 3.02Å; S21-E24 WeakPolarHBondContact O-CB 3.12Å; S21-E24 PolarHBondContact O-N 2.9Å; S21-I25 PolarHBondContact O-N 2.91Å
22	R	83.6	Confident	84.4	Confident	162 Å²	162	71.6 Å²	71.6	61%	0.611	37%	0.366	S	S	*	.	H	α-helix	trans	-48.4	-36.6	173.8	76.7	-179.9	178.4	-171.5	-0.5	113.2	E24 I25 E26 V38 V40	R22-E24 VanDerWaalsContact C-N 3.34Å; R22-E24 PolarHBondContact O-N 3.26Å; R22-I25 PolarHBondContact O-N 2.73Å; R22-E26 WeakPolarHBondContact O-CB 3.42Å; R22-E26 PolarHBondContact O-N 2.79Å; R22-V38 HydrophobicContact CB-CG1 4.42Å; R22-V40 HydrophobicContact CB-CB 4.13Å; R22-V40 HydrophobicContact CB-CG2 3.29Å
23	S	84.9	Confident	84.2	Confident	81 Å²	81	69 Å²	69	57%	0.566	36%	0.361	S	S	*	.	H	α-helix	trans	-65.9	-37.1	-177.9	-165.8	0	0	0	0	112.2	S21 A27	S21-S23 PolarHBondContact O-N 3.02Å; S23-A27 WeakPolarHBondContact O-CB 3.5Å; S23-A27 PolarHBondContact O-N 2.7Å
24	E	84.2	Confident	84.1	Confident	96 Å²	96	74.8 Å²	74.8	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-70.6	-45.1	177.8	-174.9	69.4	80.3	0	0	110	S21 R22 A27 V28 L70	S21-E24 WeakPolarHBondContact O-CB 3.12Å; S21-E24 PolarHBondContact O-N 2.9Å; R22-E24 VanDerWaalsContact C-N 3.34Å; R22-E24 PolarHBondContact O-N 3.26Å; E24-A27 PolarHBondContact O-N 2.71Å; E24-V28 WeakPolarHBondContact O-CB 3.4Å; E24-V28 VanDerWaalsContact O-CG2 3.23Å; E24-V28 WeakPolarHBondContact O-CG2 3.33Å; E24-V28 PolarHBondContact O-N 2.96Å; E24-L70 HydrophobicContact CG-CD2 4.23Å
25	I	86.4	Confident	84.1	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.01	40%	0.397	C	S	.	.	H	α-helix	trans	-62.2	-53.6	178.5	-58.5	173.2	0	0	0	109.2	V13 L16 S21 R22 A27 V28 F29 V38 V40 A48 V50	V13-I25 HydrophobicContact CG2-CG2 4.38Å; L16-I25 HydrophobicContact CD1-CD1 3.46Å; L16-I25 VanDerWaalsContact CD1-CD1 3.46Å; L16-I25 HydrophobicContact CD1-CG1 4.34Å; L16-I25 HydrophobicContact CD2-CD1 4.47Å; S21-I25 PolarHBondContact O-N 2.91Å; R22-I25 PolarHBondContact O-N 2.73Å; I25-A27 VanDerWaalsContact C-N 3.31Å; I25-A27 PolarHBondContact O-N 2.76Å; I25-V28 PolarHBondContact O-N 3.47Å; I25-F29 HydrophobicContact CB-CD2 4.41Å; I25-F29 HydrophobicContact CG2-CD2 3.45Å; I25-F29 VanDerWaalsContact CG2-CD2 3.45Å; I25-F29 HydrophobicContact CG2-CE2 3.65Å; I25-F29 WeakPolarHBondContact O-CB 3.49Å; I25-F29 WeakPolarHBondContact O-CD2 3.41Å; I25-F29 PolarHBondContact O-N 3.17Å; I25-V38 HydrophobicContact CG2-CG1 4.49Å; I25-V40 HydrophobicContact CD1-CG2 3.97Å; I25-A48 HydrophobicContact CD1-CB 3.27Å; I25-V50 HydrophobicContact CG2-CG2 3.31Å
26	E	88.2	Confident	84.2	Confident	94 Å²	94	83 Å²	83	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-54.5	-45.2	176	-172.2	176.8	86.5	0	0	111.7	R22 V28 S30 L35 V38	R22-E26 WeakPolarHBondContact O-CB 3.42Å; R22-E26 PolarHBondContact O-N 2.79Å; E26-V28 PolarHBondContact O-N 2.98Å; E26-S30 WeakPolarHBondContact O-CA 3.5Å; E26-S30 WeakPolarHBondContact O-CB 3.29Å; E26-S30 PolarHBondContact O-N 3.06Å; E26-L35 HydrophobicContact CB-CD1 4.23Å; E26-L35 HydrophobicContact CG-CD1 3.69Å; E26-L35 WeakPolarHBondContact O-CD1 3.15Å; E26-V38 HydrophobicContact CB-CG2 4.24Å; E26-V38 HydrophobicContact CG-CG2 4.19Å
27	A	87.4	Confident	84.4	Confident	60 Å²	60	86.9 Å²	86.9	50%	0.496	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-43.4	177.7	0	0	0	0	0	113	S23 E24 I25	S23-A27 WeakPolarHBondContact O-CB 3.5Å; S23-A27 PolarHBondContact O-N 2.7Å; E24-A27 PolarHBondContact O-N 2.71Å; I25-A27 VanDerWaalsContact C-N 3.31Å; I25-A27 PolarHBondContact O-N 2.76Å
28	V	86.9	Confident	84.9	Confident	35 Å²	35	86.6 Å²	86.6	21%	0.212	43%	0.425	C	S	.	.	H	α-helix	trans	-69.3	-46.9	-179.8	172.5	0	0	0	0	111.1	E24 I25 E26 R31 F32 L65 L70	E24-V28 WeakPolarHBondContact O-CB 3.4Å; E24-V28 VanDerWaalsContact O-CG2 3.23Å; E24-V28 WeakPolarHBondContact O-CG2 3.33Å; E24-V28 PolarHBondContact O-N 2.96Å; I25-V28 PolarHBondContact O-N 3.47Å; E26-V28 PolarHBondContact O-N 2.98Å; V28-R31 WeakPolarHBondContact O-CB 3.37Å; V28-R31 PolarHBondContact O-N 2.68Å; V28-F32 VanDerWaalsContact O-CD2 3.29Å; V28-F32 WeakPolarHBondContact O-CD2 3.35Å; V28-F32 WeakPolarHBondContact O-CE2 3.35Å; V28-L65 HydrophobicContact CG1-CD1 3.69Å; V28-L65 HydrophobicContact CG1-CD2 3.44Å; V28-L65 VanDerWaalsContact CG1-CD2 3.44Å; V28-L65 HydrophobicContact CG1-CG 4.22Å; V28-L70 HydrophobicContact CG2-CD1 4.31Å
29	F	87.9	Confident	85.5	Confident	5 Å²	5	85.9 Å²	85.9	2%	0.022	41%	0.411	C	S	.	.	H	α-helix	trans	-74.2	-34.1	-178.1	-77.3	-86.3	0	0	0	112.2	V11 V13 I25 R31 F32 L35 V50 F52 A61 L65 V77	V11-F29 HydrophobicContact CB-CE1 4.48Å; V11-F29 HydrophobicContact CG1-CE1 3.67Å; V11-F29 HydrophobicContact CG1-CZ 4.04Å; V13-F29 HydrophobicContact CG1-CE2 4.24Å; V13-F29 HydrophobicContact CG1-CZ 4.41Å; V13-F29 HydrophobicContact CG2-CE1 4.37Å; V13-F29 HydrophobicContact CG2-CE2 3.51Å; V13-F29 HydrophobicContact CG2-CZ 3.37Å; I25-F29 HydrophobicContact CB-CD2 4.41Å; I25-F29 HydrophobicContact CG2-CD2 3.45Å; I25-F29 VanDerWaalsContact CG2-CD2 3.45Å; I25-F29 HydrophobicContact CG2-CE2 3.65Å; I25-F29 WeakPolarHBondContact O-CB 3.49Å; I25-F29 WeakPolarHBondContact O-CD2 3.41Å; I25-F29 PolarHBondContact O-N 3.17Å; F29-R31 PolarHBondContact O-N 2.74Å; F29-R31 VanDerWaalsContact O-N 3.1Å; F29-F32 PolarHBondContact O-N 2.78Å; F29-L35 HydrophobicContact CB-CD1 4.22Å; F29-L35 HydrophobicContact CB-CD2 3.64Å; F29-V50 HydrophobicContact CB-CG1 4Å; F29-V50 HydrophobicContact CD1-CG1 4.21Å; F29-V50 HydrophobicContact CD1-CG2 4.49Å; F29-V50 HydrophobicContact CD2-CG2 3.86Å; F29-V50 HydrophobicContact CE2-CG2 4.13Å; F29-V50 HydrophobicContact CG-CB 4.44Å; F29-V50 HydrophobicContact CG-CG1 4.04Å; F29-V50 HydrophobicContact CG-CG2 4.07Å; F29-F52 HydrophobicContact CB-CE2 4.27Å; F29-F52 HydrophobicContact CB-CZ 3.8Å; F29-F52 AromaticContact CD1-CE2 3.52Å; F29-F52 HydrophobicContact CD1-CE2 3.52Å; F29-F52 AromaticContact CD1-CZ 3.56Å; F29-F52 HydrophobicContact CD1-CZ 3.56Å; F29-F52 HydrophobicContact CE1-CE2 4.3Å; F29-F52 HydrophobicContact CG-CE2 4.29Å; F29-F52 HydrophobicContact CG-CZ 4.16Å; F29-A61 HydrophobicContact CD1-CB 4.04Å; F29-A61 HydrophobicContact CE1-CB 4.32Å; F29-L65 HydrophobicContact CD1-CD1 3.7Å; F29-L65 HydrophobicContact CD2-CD1 4.15Å; F29-L65 HydrophobicContact CE1-CD1 3.43Å; F29-L65 VanDerWaalsContact CE1-CD1 3.43Å; F29-L65 HydrophobicContact CE2-CD1 3.88Å; F29-L65 HydrophobicContact CG-CD1 4.08Å; F29-L65 HydrophobicContact CZ-CD1 3.52Å; F29-V77 HydrophobicContact CE1-CG1 3.81Å; F29-V77 HydrophobicContact CZ-CG1 3.6Å; F29-V77 HydrophobicContact CZ-CG2 4.18Å
30	S	87.2	Confident	86	Confident	68 Å²	68	77.9 Å²	77.9	48%	0.476	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	176.1	-177.5	0	0	0	0	112.8	E26 F32 G33	E26-S30 WeakPolarHBondContact O-CA 3.5Å; E26-S30 WeakPolarHBondContact O-CB 3.29Å; E26-S30 PolarHBondContact O-N 3.06Å; S30-F32 VanDerWaalsContact C-N 3.31Å; S30-G33 WeakPolarHBondContact CA-O 3.32Å
31	R	87.8	Confident	86.1	Confident	224 Å²	224	77.4 Å²	77.4	85%	0.845	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.5	174.5	-168.1	179.4	-173.1	-174.5	3.2	112.8	V28 F29	V28-R31 WeakPolarHBondContact O-CB 3.37Å; V28-R31 PolarHBondContact O-N 2.68Å; F29-R31 PolarHBondContact O-N 2.74Å; F29-R31 VanDerWaalsContact O-N 3.1Å
32	F	87.2	Confident	85.6	Confident	69 Å²	69	84.5 Å²	84.5	30%	0.303	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-37.3	-178.2	-64.7	-88.4	0	0	0	111.8	V28 F29 S30 F52 A61 S64 L65	V28-F32 VanDerWaalsContact O-CD2 3.29Å; V28-F32 WeakPolarHBondContact O-CD2 3.35Å; V28-F32 WeakPolarHBondContact O-CE2 3.35Å; F29-F32 PolarHBondContact O-N 2.78Å; S30-F32 VanDerWaalsContact C-N 3.31Å; F32-F52 HydrophobicContact CB-CE1 4.37Å; F32-A61 HydrophobicContact CB-CB 3.75Å; F32-A61 HydrophobicContact CD1-CB 4.07Å; F32-A61 HydrophobicContact CD2-CB 3.84Å; F32-A61 HydrophobicContact CE2-CB 4.5Å; F32-A61 HydrophobicContact CG-CB 3.6Å; F32-S64 VanDerWaalsContact CE1-CB 3.44Å; F32-S64 WeakPolarHBondContact CE1-OG 3.38Å; F32-L65 HydrophobicContact CD2-CD1 4.2Å; F32-L65 HydrophobicContact CE2-CD1 3.57Å; F32-L65 HydrophobicContact CE2-CD2 3.86Å; F32-L65 HydrophobicContact CE2-CG 3.68Å; F32-L65 HydrophobicContact CZ-CD1 4.18Å; F32-L65 HydrophobicContact CZ-CD2 3.93Å; F32-L65 HydrophobicContact CZ-CG 3.78Å
33	G	85.9	Confident	84.9	Confident	17 Å²	17	87.9 Å²	87.9	18%	0.175	41%	0.41	C	S	.	.	S	Bend	trans	-175	-172.8	-177.9	0	0	0	0	0	112.3	S30	S30-G33 WeakPolarHBondContact CA-O 3.32Å
34	Q	87	Confident	83.5	Confident	123 Å²	123	88.6 Å²	88.6	58%	0.575	41%	0.413	S	S	*	.			trans	-77.1	129.4	-179.4	-67.6	172.5	97	0	0	110.7	E53	Q34-E53 HydrophobicContact CB-CB 4.03Å; Q34-E53 PolarHBondContact NE2-OE1 2.74Å; Q34-E53 PolarHBondContact O-N 2.69Å
35	L	88	Confident	82.7	Confident	40 Å²	40	88.2 Å²	88.2	21%	0.209	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.3	177.7	-52.6	172.9	0	0	0	109.1	E26 F29 V38 V50 E51 F52	E26-L35 HydrophobicContact CB-CD1 4.23Å; E26-L35 HydrophobicContact CG-CD1 3.69Å; E26-L35 WeakPolarHBondContact O-CD1 3.15Å; F29-L35 HydrophobicContact CB-CD1 4.22Å; F29-L35 HydrophobicContact CB-CD2 3.64Å; L35-V38 HydrophobicContact CB-CG2 4.32Å; L35-V38 HydrophobicContact CD1-CG2 3.99Å; L35-V50 HydrophobicContact CD2-CG1 3.5Å; L35-E51 CarbonylContact C-O 3.52Å; L35-F52 HydrophobicContact CD2-CD1 3.94Å; L35-F52 HydrophobicContact CD2-CD2 4.3Å; L35-F52 HydrophobicContact CD2-CE1 3.57Å; L35-F52 HydrophobicContact CD2-CE2 3.97Å; L35-F52 HydrophobicContact CD2-CG 4.29Å; L35-F52 HydrophobicContact CD2-CZ 3.59Å
36	R	87.4	Confident	82.3	Confident	181 Å²	181	89.1 Å²	89.1	68%	0.683	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	-40	174	-175.7	172.9	-176.2	175.4	2.8	112	E51 F52	R36-E51 WeakPolarHBondContact CA-O 2.95Å; R36-E51 HydrophobicContact CB-CB 4.41Å; R36-E51 HydrophobicContact CB-CG 4.15Å; R36-E51 WeakPolarHBondContact CD-OE1 3.13Å; R36-E51 PolarHBondContact N-O 3.03Å; R36-E51 IonicContact NE-OE1 3.76Å; R36-F52 WeakPolarHBondContact CB-O 3.44Å
37	N	86.4	Confident	82.2	Confident	96 Å²	96	86.8 Å²	86.8	51%	0.513	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	147.6	-179	-163.3	14.9	0	0	0	111.5	E51	N37-E51 HydrophobicContact CB-CB 3.84Å; N37-E51 PolarHBondContact N-O 2.78Å; N37-E51 WeakPolarHBondContact O-CA 3.47Å; N37-E51 PolarHBondContact O-N 3.43Å
38	V	88.9	Confident	82.3	Confident	25 Å²	25	84 Å²	84	15%	0.152	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119.6	176.1	-177.3	0	0	0	0	109.3	R22 I25 E26 L35 V40 V50	R22-V38 HydrophobicContact CB-CG1 4.42Å; I25-V38 HydrophobicContact CG2-CG1 4.49Å; E26-V38 HydrophobicContact CB-CG2 4.24Å; E26-V38 HydrophobicContact CG-CG2 4.19Å; L35-V38 HydrophobicContact CB-CG2 4.32Å; L35-V38 HydrophobicContact CD1-CG2 3.99Å; V38-V40 HydrophobicContact CG1-CG2 4.44Å; V38-V50 HydrophobicContact CG1-CG2 4.4Å; V38-V50 HydrophobicContact CG2-CG1 4.49Å
39	W	87.4	Confident	82.4	Confident	136 Å²	136	85.3 Å²	85.3	52%	0.515	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.4	179.6	-175.2	86.3	0	0	0	110.5	A41 F47 A48 F49	W39-A41 HydrophobicContact CE3-CB 4.47Å; W39-A41 HydrophobicContact CH2-CB 3.66Å; W39-A41 HydrophobicContact CZ3-CB 3.61Å; W39-F47 HydrophobicContact CH2-CE2 4.09Å; W39-F47 HydrophobicContact CZ3-CD2 4.28Å; W39-F47 AromaticContact CZ3-CE2 3.76Å; W39-F47 HydrophobicContact CZ3-CE2 3.76Å; W39-A48 CarbonylContact O-C 3.52Å; W39-A48 WeakPolarHBondContact O-CA 3.4Å; W39-F49 HydrophobicContact CB-CB 4.41Å; W39-F49 HydrophobicContact CE3-CB 4.2Å; W39-F49 AromaticContact CE3-CD2 3.4Å; W39-F49 HydrophobicContact CE3-CD2 3.4Å; W39-F49 VanDerWaalsContact CE3-CD2 3.4Å; W39-F49 HydrophobicContact CE3-CE2 4.15Å; W39-F49 HydrophobicContact CE3-CG 4.19Å; W39-F49 AromaticContact CZ3-CD2 3.45Å; W39-F49 HydrophobicContact CZ3-CD2 3.45Å; W39-F49 VanDerWaalsContact CZ3-CD2 3.45Å; W39-F49 AromaticContact CZ3-CE2 3.72Å; W39-F49 HydrophobicContact CZ3-CE2 3.72Å; W39-F49 PolarHBondContact N-O 3.1Å; W39-F49 PolarHBondContact O-N 2.8Å; W39-F49 VanDerWaalsContact O-O 3.04Å
40	V	84.9	Confident	82.5	Confident	38 Å²	38	85.2 Å²	85.2	23%	0.23	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.5	178.1	177.4	0	0	0	0	110.1	R22 I25 V38 R42 A48	R22-V40 HydrophobicContact CB-CB 4.13Å; R22-V40 HydrophobicContact CB-CG2 3.29Å; I25-V40 HydrophobicContact CD1-CG2 3.97Å; V38-V40 HydrophobicContact CG1-CG2 4.44Å; V40-R42 PolarHBondContact O-N 2.96Å; V40-A48 HydrophobicContact CB-CB 4.39Å; V40-A48 HydrophobicContact CG1-CB 4.47Å; V40-A48 HydrophobicContact CG2-CB 3.85Å
41	A	79.7	Confident	82.5	Confident	6 Å²	6	83.5 Å²	83.5	5%	0.05	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.9	176.7	0	0	0	0	0	110.3	W39 F47	W39-A41 HydrophobicContact CE3-CB 4.47Å; W39-A41 HydrophobicContact CH2-CB 3.66Å; W39-A41 HydrophobicContact CZ3-CB 3.61Å; A41-F47 HydrophobicContact CB-CD1 3.74Å; A41-F47 HydrophobicContact CB-CD2 3.46Å; A41-F47 VanDerWaalsContact CB-CD2 3.46Å; A41-F47 HydrophobicContact CB-CE1 3.39Å; A41-F47 HydrophobicContact CB-CE2 3.13Å; A41-F47 HydrophobicContact CB-CG 3.78Å; A41-F47 HydrophobicContact CB-CZ 3.09Å; A41-F47 WeakPolarHBondContact CB-O 3.22Å; A41-F47 PolarHBondContact N-O 3.33Å; A41-F47 VanDerWaalsContact N-O 3.08Å
42	R	69.9	Low	82.6	Confident	216 Å²	216	72.8 Å²	72.8	82%	0.815	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	-10.8	176.3	-66.1	-179	175.8	-175.9	-2.9	113	V40	V40-R42 PolarHBondContact O-N 2.96Å
43	R	69.5	Low	82.5	Confident	233 Å²	233	75 Å²	75	88%	0.879	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.1	114.5	-177.8	-150.8	105.8	81.1	174.3	6.3	111.8
44	P	55.8	Low	82.4	Confident	97 Å²	97	75.9 Å²	75.9	63%	0.63	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	cis	-63.6	145.4	-12.5	23.4	-28.6	0	0	0	112	F47	P44-F47 HydrophobicContact CG-CE1 3.83Å; P44-F47 VanDerWaalsContact O-CD1 3.3Å; P44-F47 WeakPolarHBondContact O-CD1 3.09Å; P44-F47 WeakPolarHBondContact O-CE1 3.4Å
45	S	67.6	Low	82.3	Confident	87 Å²	87	70.3 Å²	70.3	61%	0.608	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	136.8	174.1	46.5	0	0	0	0	110
46	G	77.4	Confident	82.1	Confident	22 Å²	22	75.9 Å²	75.9	23%	0.227	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.2	6.1	175.7	0	0	0	0	0	115.5	G14 G15 L16	G14-G46 CarbonylContact C-O 3.5Å; G15-G46 PolarHBondContact N-O 3.31Å; L16-G46 PolarHBondContact N-O 2.83Å; L16-G46 VanDerWaalsContact N-O 3.11Å; L16-G46 WeakPolarHBondContact O-CA 3.35Å
47	F	85.9	Confident	82.2	Confident	45 Å²	45	69.9 Å²	69.9	20%	0.197	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.5	172.4	70.1	-79.8	0	0	0	113.5	Y12 V13 W39 A41 P44 F49	Y12-F47 HydrophobicContact CE2-CB 3.8Å; Y12-F47 HydrophobicContact CE2-CD2 4.1Å; Y12-F47 HydrophobicContact CE2-CG 4.3Å; V13-F47 CarbonylContact O-C 3.48Å; V13-F47 WeakPolarHBondContact O-CA 3.47Å; W39-F47 HydrophobicContact CH2-CE2 4.09Å; W39-F47 HydrophobicContact CZ3-CD2 4.28Å; W39-F47 AromaticContact CZ3-CE2 3.76Å; W39-F47 HydrophobicContact CZ3-CE2 3.76Å; A41-F47 HydrophobicContact CB-CD1 3.74Å; A41-F47 HydrophobicContact CB-CD2 3.46Å; A41-F47 VanDerWaalsContact CB-CD2 3.46Å; A41-F47 HydrophobicContact CB-CE1 3.39Å; A41-F47 HydrophobicContact CB-CE2 3.13Å; A41-F47 HydrophobicContact CB-CG 3.78Å; A41-F47 HydrophobicContact CB-CZ 3.09Å; A41-F47 WeakPolarHBondContact CB-O 3.22Å; A41-F47 PolarHBondContact N-O 3.33Å; A41-F47 VanDerWaalsContact N-O 3.08Å; P44-F47 HydrophobicContact CG-CE1 3.83Å; P44-F47 VanDerWaalsContact O-CD1 3.3Å; P44-F47 WeakPolarHBondContact O-CD1 3.09Å; P44-F47 WeakPolarHBondContact O-CE1 3.4Å; F47-F49 HydrophobicContact CD2-CD2 4.24Å; F47-F49 AromaticContact CD2-CE2 3.71Å; F47-F49 HydrophobicContact CD2-CE2 3.71Å; F47-F49 AromaticContact CE2-CE2 3.85Å; F47-F49 HydrophobicContact CE2-CE2 3.85Å
48	A	88.6	Confident	82.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	165.3	178.9	0	0	0	0	0	110.4	V13 L16 I25 W39 V40	V13-A48 HydrophobicContact CB-CB 4.26Å; V13-A48 PolarHBondContact N-O 3.47Å; V13-A48 PolarHBondContact O-N 2.73Å; L16-A48 HydrophobicContact CD1-CB 3.84Å; I25-A48 HydrophobicContact CD1-CB 3.27Å; W39-A48 CarbonylContact O-C 3.52Å; W39-A48 WeakPolarHBondContact O-CA 3.4Å; V40-A48 HydrophobicContact CB-CB 4.39Å; V40-A48 HydrophobicContact CG1-CB 4.47Å; V40-A48 HydrophobicContact CG2-CB 3.85Å
49	F	89.7	Confident	82.1	Confident	64 Å²	64	68.1 Å²	68.1	28%	0.281	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.2	175.9	-70.3	-98.1	0	0	0	109	V11 Y12 W39 F47	V11-F49 CarbonylContact O-C 3.54Å; V11-F49 WeakPolarHBondContact O-CA 3.22Å; Y12-F49 HydrophobicContact CD2-CD1 4.27Å; Y12-F49 HydrophobicContact CD2-CD2 4.45Å; Y12-F49 AromaticContact CD2-CE1 3.71Å; Y12-F49 HydrophobicContact CD2-CE1 3.71Å; Y12-F49 AromaticContact CD2-CE2 3.96Å; Y12-F49 HydrophobicContact CD2-CE2 3.96Å; Y12-F49 AromaticContact CD2-CZ 3.57Å; Y12-F49 HydrophobicContact CD2-CZ 3.57Å; Y12-F49 HydrophobicContact CE2-CE2 4.32Å; Y12-F49 HydrophobicContact CE2-CZ 4.15Å; Y12-F49 HydrophobicContact CG-CE1 4.41Å; W39-F49 HydrophobicContact CB-CB 4.41Å; W39-F49 HydrophobicContact CE3-CB 4.2Å; W39-F49 AromaticContact CE3-CD2 3.4Å; W39-F49 HydrophobicContact CE3-CD2 3.4Å; W39-F49 VanDerWaalsContact CE3-CD2 3.4Å; W39-F49 HydrophobicContact CE3-CE2 4.15Å; W39-F49 HydrophobicContact CE3-CG 4.19Å; W39-F49 AromaticContact CZ3-CD2 3.45Å; W39-F49 HydrophobicContact CZ3-CD2 3.45Å; W39-F49 VanDerWaalsContact CZ3-CD2 3.45Å; W39-F49 AromaticContact CZ3-CE2 3.72Å; W39-F49 HydrophobicContact CZ3-CE2 3.72Å; W39-F49 PolarHBondContact N-O 3.1Å; W39-F49 PolarHBondContact O-N 2.8Å; W39-F49 VanDerWaalsContact O-O 3.04Å; F47-F49 HydrophobicContact CD2-CD2 4.24Å; F47-F49 AromaticContact CD2-CE2 3.71Å; F47-F49 HydrophobicContact CD2-CE2 3.71Å; F47-F49 AromaticContact CE2-CE2 3.85Å; F47-F49 HydrophobicContact CE2-CE2 3.85Å
50	V	89.8	Confident	82.2	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.4	-179.9	177.2	0	0	0	0	107.4	K10 V11 V13 I25 F29 L35 V38 F52	K10-V50 CarbonylContact C-O 3.49Å; K10-V50 WeakPolarHBondContact CA-O 3.39Å; V11-V50 HydrophobicContact CB-CB 4.21Å; V11-V50 PolarHBondContact N-O 2.89Å; V11-V50 PolarHBondContact O-N 3.04Å; V13-V50 HydrophobicContact CG2-CG2 4.06Å; I25-V50 HydrophobicContact CG2-CG2 3.31Å; F29-V50 HydrophobicContact CB-CG1 4Å; F29-V50 HydrophobicContact CD1-CG1 4.21Å; F29-V50 HydrophobicContact CD1-CG2 4.49Å; F29-V50 HydrophobicContact CD2-CG2 3.86Å; F29-V50 HydrophobicContact CE2-CG2 4.13Å; F29-V50 HydrophobicContact CG-CB 4.44Å; F29-V50 HydrophobicContact CG-CG1 4.04Å; F29-V50 HydrophobicContact CG-CG2 4.07Å; L35-V50 HydrophobicContact CD2-CG1 3.5Å; V38-V50 HydrophobicContact CG1-CG2 4.4Å; V38-V50 HydrophobicContact CG2-CG1 4.49Å; V50-F52 HydrophobicContact CG1-CD2 3.95Å; V50-F52 HydrophobicContact CG1-CE2 3.64Å; V50-F52 HydrophobicContact CG1-CZ 4.38Å
51	E	88	Confident	82.4	Confident	32 Å²	32	64.9 Å²	64.9	15%	0.15	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.3	174.8	-167.5	170.9	86.5	0	0	107.8	T9 K10 L35 R36 N37	T9-E51 CarbonylContact O-C 3.39Å; T9-E51 WeakPolarHBondContact O-CA 3.48Å; T9-E51 WeakPolarHBondContact OG1-CG 3.34Å; K10-E51 WeakPolarHBondContact CE-OE2 3.34Å; K10-E51 HydrophobicContact CG-CG 4.15Å; K10-E51 IonicContact NZ-OE2 2.61Å; K10-E51 PolarHBondContact NZ-OE2 3.39Å; L35-E51 CarbonylContact C-O 3.52Å; R36-E51 WeakPolarHBondContact CA-O 2.95Å; R36-E51 HydrophobicContact CB-CB 4.41Å; R36-E51 HydrophobicContact CB-CG 4.15Å; R36-E51 WeakPolarHBondContact CD-OE1 3.13Å; R36-E51 PolarHBondContact N-O 3.03Å; R36-E51 IonicContact NE-OE1 3.76Å; N37-E51 HydrophobicContact CB-CB 3.84Å; N37-E51 PolarHBondContact N-O 2.78Å; N37-E51 WeakPolarHBondContact O-CA 3.47Å; N37-E51 PolarHBondContact O-N 3.43Å
52	F	88.7	Confident	82.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	165.8	174.4	-81.4	-93.7	0	0	0	111.5	T9 V11 F29 F32 L35 R36 V50 D54 D57 A58 A61	T9-F52 WeakPolarHBondContact CB-O 3.23Å; T9-F52 WeakPolarHBondContact CG2-O 3.42Å; T9-F52 PolarHBondContact O-N 3.48Å; T9-F52 PolarHBondContact OG1-O 2.94Å; V11-F52 HydrophobicContact CG2-CD2 3.8Å; V11-F52 HydrophobicContact CG2-CE2 3.86Å; F29-F52 HydrophobicContact CB-CE2 4.27Å; F29-F52 HydrophobicContact CB-CZ 3.8Å; F29-F52 AromaticContact CD1-CE2 3.52Å; F29-F52 HydrophobicContact CD1-CE2 3.52Å; F29-F52 AromaticContact CD1-CZ 3.56Å; F29-F52 HydrophobicContact CD1-CZ 3.56Å; F29-F52 HydrophobicContact CE1-CE2 4.3Å; F29-F52 HydrophobicContact CG-CE2 4.29Å; F29-F52 HydrophobicContact CG-CZ 4.16Å; F32-F52 HydrophobicContact CB-CE1 4.37Å; L35-F52 HydrophobicContact CD2-CD1 3.94Å; L35-F52 HydrophobicContact CD2-CD2 4.3Å; L35-F52 HydrophobicContact CD2-CE1 3.57Å; L35-F52 HydrophobicContact CD2-CE2 3.97Å; L35-F52 HydrophobicContact CD2-CG 4.29Å; L35-F52 HydrophobicContact CD2-CZ 3.59Å; R36-F52 WeakPolarHBondContact CB-O 3.44Å; V50-F52 HydrophobicContact CG1-CD2 3.95Å; V50-F52 HydrophobicContact CG1-CE2 3.64Å; V50-F52 HydrophobicContact CG1-CZ 4.38Å; F52-D54 WeakPolarHBondContact CB-O 3.2Å; F52-D57 HydrophobicContact CD1-CB 3.96Å; F52-D57 HydrophobicContact CE1-CB 4.39Å; F52-A58 HydrophobicContact CB-CB 3.94Å; F52-A58 HydrophobicContact CD2-CB 3.73Å; F52-A58 HydrophobicContact CE2-CB 4.49Å; F52-A58 HydrophobicContact CG-CB 3.93Å; F52-A61 HydrophobicContact CE1-CB 4.33Å; F52-A61 HydrophobicContact CE2-CB 4.09Å; F52-A61 HydrophobicContact CZ-CB 3.6Å
53	E	86.4	Confident	83.8	Confident	115 Å²	115	63.6 Å²	63.6	54%	0.537	30%	0.304	S	S	.	.	S	Bend	trans	-75.8	-39.4	168.5	-172.3	160.5	90.8	0	0	111.9	Q34	Q34-E53 HydrophobicContact CB-CB 4.03Å; Q34-E53 PolarHBondContact NE2-OE1 2.74Å; Q34-E53 PolarHBondContact O-N 2.69Å
54	D	84.5	Confident	84.7	Confident	36 Å²	36	55.8 Å²	55.8	19%	0.193	29%	0.285	C	S	.	.			trans	-120	140.3	179	-162.1	-64.7	0	0	0	110.8	F52 R56 D57 A58	F52-D54 WeakPolarHBondContact CB-O 3.2Å; D54-R56 VanDerWaalsContact C-N 3.32Å; D54-R56 WeakPolarHBondContact OD1-CA 3.35Å; D54-R56 WeakPolarHBondContact OD1-CB 3.29Å; D54-R56 VanDerWaalsContact OD1-CG 3.29Å; D54-R56 WeakPolarHBondContact OD1-CG 3.48Å; D54-R56 IonicContact OD1-CZ 3.88Å; D54-R56 PolarHBondContact OD1-N 3.46Å; D54-R56 IonicContact OD1-NE 2.98Å; D54-R56 PolarHBondContact OD1-NE 2.88Å; D54-R56 IonicContact OD1-NH2 4Å; D54-R56 IonicContact OD2-CZ 3.28Å; D54-R56 IonicContact OD2-NE 2.73Å; D54-R56 PolarHBondContact OD2-NE 3.39Å; D54-R56 IonicContact OD2-NH2 3.9Å; D54-R56 PolarHBondContact OD2-NH2 2.68Å; D54-D57 HydrophobicContact CB-CB 4.4Å; D54-A58 PolarHBondContact O-N 3.16Å
55	G	83.1	Confident	86.2	Confident	5 Å²	5	52.1 Å²	52.1	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-77.5	-19.2	179.2	0	0	0	0	0	113.2	A58 E59	G55-A58 WeakPolarHBondContact O-CB 3.23Å; G55-A58 PolarHBondContact O-N 3.32Å; G55-E59 PolarHBondContact O-N 2.72Å
56	R	85	Confident	87.2	Confident	158 Å²	158	52 Å²	52	60%	0.596	25%	0.252	S	S	*	.	H	α-helix	trans	-66	-47.9	170.9	-61.2	172.7	-69.6	170.8	-0.1	109.9	D54 A58 E59 D60	D54-R56 VanDerWaalsContact C-N 3.32Å; D54-R56 WeakPolarHBondContact OD1-CA 3.35Å; D54-R56 WeakPolarHBondContact OD1-CB 3.29Å; D54-R56 VanDerWaalsContact OD1-CG 3.29Å; D54-R56 WeakPolarHBondContact OD1-CG 3.48Å; D54-R56 IonicContact OD1-CZ 3.88Å; D54-R56 PolarHBondContact OD1-N 3.46Å; D54-R56 IonicContact OD1-NE 2.98Å; D54-R56 PolarHBondContact OD1-NE 2.88Å; D54-R56 IonicContact OD1-NH2 4Å; D54-R56 IonicContact OD2-CZ 3.28Å; D54-R56 IonicContact OD2-NE 2.73Å; D54-R56 PolarHBondContact OD2-NE 3.39Å; D54-R56 IonicContact OD2-NH2 3.9Å; D54-R56 PolarHBondContact OD2-NH2 2.68Å; R56-A58 VanDerWaalsContact C-N 3.28Å; R56-A58 PolarHBondContact O-N 2.78Å; R56-E59 PolarHBondContact O-N 2.76Å; R56-E59 VanDerWaalsContact O-N 3.16Å; R56-D60 PolarHBondContact O-N 3.35Å
57	D	88.7	Confident	87.6	Confident	55 Å²	55	52.7 Å²	52.7	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-38.9	175.9	-61.9	-24	0	0	0	111.3	F52 D54 A61	F52-D57 HydrophobicContact CD1-CB 3.96Å; F52-D57 HydrophobicContact CE1-CB 4.39Å; D54-D57 HydrophobicContact CB-CB 4.4Å; D57-A61 WeakPolarHBondContact O-CB 3.48Å; D57-A61 PolarHBondContact O-N 2.79Å
58	A	87.8	Confident	87.6	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-47.2	173.8	0	0	0	0	0	112	V11 F52 D54 G55 R56 A61 V62 I79	V11-A58 HydrophobicContact CG2-CB 3.76Å; F52-A58 HydrophobicContact CB-CB 3.94Å; F52-A58 HydrophobicContact CD2-CB 3.73Å; F52-A58 HydrophobicContact CE2-CB 4.49Å; F52-A58 HydrophobicContact CG-CB 3.93Å; D54-A58 PolarHBondContact O-N 3.16Å; G55-A58 WeakPolarHBondContact O-CB 3.23Å; G55-A58 PolarHBondContact O-N 3.32Å; R56-A58 VanDerWaalsContact C-N 3.28Å; R56-A58 PolarHBondContact O-N 2.78Å; A58-A61 PolarHBondContact O-N 2.73Å; A58-V62 WeakPolarHBondContact O-CB 3.19Å; A58-V62 WeakPolarHBondContact O-CG2 3.26Å; A58-V62 PolarHBondContact O-N 3.17Å; A58-I79 HydrophobicContact CB-CD1 3.77Å
59	E	86.7	Confident	87.2	Confident	84 Å²	84	61 Å²	61	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-64.5	-44.8	179	-104.6	-165.7	84.8	0	0	112.1	G55 R56 V62 R63 I79	G55-E59 PolarHBondContact O-N 2.72Å; R56-E59 PolarHBondContact O-N 2.76Å; R56-E59 VanDerWaalsContact O-N 3.16Å; E59-V62 PolarHBondContact O-N 3.41Å; E59-R63 WeakPolarHBondContact O-CB 3.44Å; E59-R63 WeakPolarHBondContact O-CG 3.23Å; E59-R63 PolarHBondContact O-N 3.24Å; E59-R63 IonicContact OE1-CZ 3.32Å; E59-R63 VanDerWaalsContact OE1-CZ 3.32Å; E59-R63 IonicContact OE1-NE 3.32Å; E59-R63 PolarHBondContact OE1-NE 3.42Å; E59-R63 IonicContact OE1-NH2 2.68Å; E59-R63 PolarHBondContact OE1-NH2 3.08Å; E59-I79 HydrophobicContact CB-CD1 4.47Å; E59-I79 HydrophobicContact CG-CD1 4Å; E59-I79 HydrophobicContact CG-CG1 3.87Å
60	D	89.6	Confident	86.4	Confident	106 Å²	106	59.8 Å²	59.8	57%	0.567	30%	0.297	S	S	*	.	H	α-helix	trans	-61.2	-46.1	176	-90.6	-82.8	0	0	0	111.2	R56 V62 R63 S64	R56-D60 PolarHBondContact O-N 3.35Å; D60-V62 PolarHBondContact O-N 2.97Å; D60-R63 PolarHBondContact O-N 2.91Å; D60-S64 VanDerWaalsContact O-CB 3.23Å; D60-S64 WeakPolarHBondContact O-CB 3.21Å; D60-S64 PolarHBondContact O-N 3.17Å
61	A	89.3	Confident	85.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-44.1	176.1	0	0	0	0	0	111.8	F29 F32 F52 D57 A58 S64 L65	F29-A61 HydrophobicContact CD1-CB 4.04Å; F29-A61 HydrophobicContact CE1-CB 4.32Å; F32-A61 HydrophobicContact CB-CB 3.75Å; F32-A61 HydrophobicContact CD1-CB 4.07Å; F32-A61 HydrophobicContact CD2-CB 3.84Å; F32-A61 HydrophobicContact CE2-CB 4.5Å; F32-A61 HydrophobicContact CG-CB 3.6Å; F52-A61 HydrophobicContact CE1-CB 4.33Å; F52-A61 HydrophobicContact CE2-CB 4.09Å; F52-A61 HydrophobicContact CZ-CB 3.6Å; D57-A61 WeakPolarHBondContact O-CB 3.48Å; D57-A61 PolarHBondContact O-N 2.79Å; A58-A61 PolarHBondContact O-N 2.73Å; A61-S64 PolarHBondContact O-N 2.83Å; A61-L65 VanDerWaalsContact O-CB 3.23Å; A61-L65 WeakPolarHBondContact O-CB 3.39Å; A61-L65 VanDerWaalsContact O-CG 3.26Å; A61-L65 WeakPolarHBondContact O-CG 3.23Å; A61-L65 PolarHBondContact O-N 2.94Å
62	V	89.6	Confident	85.2	Confident	13 Å²	13	65.6 Å²	65.6	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-52.2	176.9	166.8	0	0	0	0	110.7	V11 A58 E59 D60 S64 L65 D66 V77 I79	V11-V62 HydrophobicContact CB-CG2 4.04Å; V11-V62 HydrophobicContact CG1-CG2 3.44Å; V11-V62 VanDerWaalsContact CG1-CG2 3.44Å; V11-V62 HydrophobicContact CG2-CG2 3.53Å; A58-V62 WeakPolarHBondContact O-CB 3.19Å; A58-V62 WeakPolarHBondContact O-CG2 3.26Å; A58-V62 PolarHBondContact O-N 3.17Å; E59-V62 PolarHBondContact O-N 3.41Å; D60-V62 PolarHBondContact O-N 2.97Å; V62-S64 PolarHBondContact O-N 3.16Å; V62-L65 PolarHBondContact O-N 3.47Å; V62-D66 WeakPolarHBondContact O-CA 3.39Å; V62-D66 WeakPolarHBondContact O-CB 3.08Å; V62-D66 PolarHBondContact O-N 2.98Å; V62-V77 HydrophobicContact CB-CG1 4.17Å; V62-V77 HydrophobicContact CG1-CG1 4.37Å; V62-V77 WeakPolarHBondContact CG1-O 3.42Å; V62-V77 HydrophobicContact CG2-CG1 3.77Å; V62-I79 HydrophobicContact CB-CD1 4.34Å; V62-I79 HydrophobicContact CB-CG1 4.2Å; V62-I79 HydrophobicContact CG1-CG1 4.26Å; V62-I79 HydrophobicContact CG2-CD1 3.67Å; V62-I79 HydrophobicContact CG2-CG1 3.85Å
63	R	87.7	Confident	84.9	Confident	181 Å²	181	68.3 Å²	68.3	68%	0.683	37%	0.367	S	S	*	.	H	α-helix	trans	-62.6	-32	-178.9	-70	168.3	-179.6	-147.9	3.8	112.2	E59 D60	E59-R63 WeakPolarHBondContact O-CB 3.44Å; E59-R63 WeakPolarHBondContact O-CG 3.23Å; E59-R63 PolarHBondContact O-N 3.24Å; E59-R63 IonicContact OE1-CZ 3.32Å; E59-R63 VanDerWaalsContact OE1-CZ 3.32Å; E59-R63 IonicContact OE1-NE 3.32Å; E59-R63 PolarHBondContact OE1-NE 3.42Å; E59-R63 IonicContact OE1-NH2 2.68Å; E59-R63 PolarHBondContact OE1-NH2 3.08Å; D60-R63 PolarHBondContact O-N 2.91Å
64	S	89.1	Confident	84.9	Confident	69 Å²	69	70.1 Å²	70.1	48%	0.483	37%	0.373	S	S	.	.	H	α-helix	trans	-80	-35.1	179.6	-164.6	0	0	0	0	113	F32 D60 A61 V62 T68	F32-S64 VanDerWaalsContact CE1-CB 3.44Å; F32-S64 WeakPolarHBondContact CE1-OG 3.38Å; D60-S64 VanDerWaalsContact O-CB 3.23Å; D60-S64 WeakPolarHBondContact O-CB 3.21Å; D60-S64 PolarHBondContact O-N 3.17Å; A61-S64 PolarHBondContact O-N 2.83Å; V62-S64 PolarHBondContact O-N 3.16Å; S64-T68 WeakPolarHBondContact O-CG2 3.31Å
65	L	87.4	Confident	85.1	Confident	21 Å²	21	68.7 Å²	68.7	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-97.1	-21.2	-176.1	-63.8	170.9	0	0	0	113.8	V28 F29 F32 A61 V62 G67 T68 V77	V28-L65 HydrophobicContact CG1-CD1 3.69Å; V28-L65 HydrophobicContact CG1-CD2 3.44Å; V28-L65 VanDerWaalsContact CG1-CD2 3.44Å; V28-L65 HydrophobicContact CG1-CG 4.22Å; F29-L65 HydrophobicContact CD1-CD1 3.7Å; F29-L65 HydrophobicContact CD2-CD1 4.15Å; F29-L65 HydrophobicContact CE1-CD1 3.43Å; F29-L65 VanDerWaalsContact CE1-CD1 3.43Å; F29-L65 HydrophobicContact CE2-CD1 3.88Å; F29-L65 HydrophobicContact CG-CD1 4.08Å; F29-L65 HydrophobicContact CZ-CD1 3.52Å; F32-L65 HydrophobicContact CD2-CD1 4.2Å; F32-L65 HydrophobicContact CE2-CD1 3.57Å; F32-L65 HydrophobicContact CE2-CD2 3.86Å; F32-L65 HydrophobicContact CE2-CG 3.68Å; F32-L65 HydrophobicContact CZ-CD1 4.18Å; F32-L65 HydrophobicContact CZ-CD2 3.93Å; F32-L65 HydrophobicContact CZ-CG 3.78Å; A61-L65 VanDerWaalsContact O-CB 3.23Å; A61-L65 WeakPolarHBondContact O-CB 3.39Å; A61-L65 VanDerWaalsContact O-CG 3.26Å; A61-L65 WeakPolarHBondContact O-CG 3.23Å; A61-L65 PolarHBondContact O-N 2.94Å; V62-L65 PolarHBondContact O-N 3.47Å; L65-G67 PolarHBondContact O-N 3.35Å; L65-T68 WeakPolarHBondContact O-CB 3.13Å; L65-T68 WeakPolarHBondContact O-CG2 3.3Å; L65-T68 PolarHBondContact O-N 2.88Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 2.87Å; L65-V77 HydrophobicContact CB-CB 4.26Å; L65-V77 HydrophobicContact CB-CG1 4.44Å; L65-V77 HydrophobicContact CB-CG2 3.72Å
66	D	89.2	Confident	85.3	Confident	83 Å²	83	75.7 Å²	75.7	44%	0.444	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	128.3	179.1	-177.1	-125.4	0	0	0	111.2	V62 T68 V77	V62-D66 WeakPolarHBondContact O-CA 3.39Å; V62-D66 WeakPolarHBondContact O-CB 3.08Å; V62-D66 PolarHBondContact O-N 2.98Å; D66-T68 PolarHBondContact O-N 3.38Å; D66-V77 HydrophobicContact CB-CB 4.12Å; D66-V77 VanDerWaalsContact CB-O 3.23Å; D66-V77 WeakPolarHBondContact CB-O 3.41Å; D66-V77 PolarHBondContact OD2-N 3.36Å
67	G	85.9	Confident	85.6	Confident	38 Å²	38	68.3 Å²	68.3	39%	0.392	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	3.1	-178.6	0	0	0	0	0	114.8	L65 V75	L65-G67 PolarHBondContact O-N 3.35Å; G67-V75 WeakPolarHBondContact CA-O 3.15Å; G67-V75 PolarHBondContact N-O 2.67Å; G67-V75 VanDerWaalsContact N-O 3.11Å
68	T	85.5	Confident	85.5	Confident	50 Å²	50	70.4 Å²	70.4	31%	0.307	37%	0.371	S	S	.	.			trans	-73.8	159.3	174.5	66.2	0	0	0	0	111.8	S64 L65 D66 K74 V75	S64-T68 WeakPolarHBondContact O-CG2 3.31Å; L65-T68 WeakPolarHBondContact O-CB 3.13Å; L65-T68 WeakPolarHBondContact O-CG2 3.3Å; L65-T68 PolarHBondContact O-N 2.88Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 2.87Å; D66-T68 PolarHBondContact O-N 3.38Å; T68-K74 WeakPolarHBondContact O-CA 3.49Å; T68-V75 WeakPolarHBondContact O-CG2 3.37Å; T68-V75 PolarHBondContact O-N 3.27Å
69	K	79.9	Confident	85.4	Confident	170 Å²	170	71.1 Å²	71.1	74%	0.739	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	105.6	176.4	-67.1	176.5	-175.7	171.3	0	109.7	V73	K69-V73 CarbonylContact C-O 3.44Å; K69-V73 VanDerWaalsContact CA-O 3.25Å; K69-V73 WeakPolarHBondContact CA-O 3.04Å
70	L	73.7	Confident	84.9	Confident	38 Å²	38	68.4 Å²	68.4	20%	0.199	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.2	171.5	-164	71.3	0	0	0	108.8	L16 E24 V28 G72 V73 V75	L16-L70 HydrophobicContact CD2-CD2 3.97Å; E24-L70 HydrophobicContact CG-CD2 4.23Å; V28-L70 HydrophobicContact CG2-CD1 4.31Å; L70-G72 PolarHBondContact O-N 2.75Å; L70-G72 VanDerWaalsContact O-N 3.1Å; L70-V73 PolarHBondContact N-O 2.75Å; L70-V73 WeakPolarHBondContact O-CG2 3.41Å; L70-V73 PolarHBondContact O-N 3.3Å; L70-V75 HydrophobicContact CB-CG1 3.55Å; L70-V75 HydrophobicContact CB-CG2 4.16Å; L70-V75 HydrophobicContact CD2-CG1 4.21Å
71	C	69.9	Low	83.7	Confident	87 Å²	87	69.3 Å²	69.3	59%	0.588	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	30.7	-179.7	-152	0	0	0	0	114.1	P17 V73	P17-C71 HydrophobicContact CG-CB 4.19Å; C71-V73 VanDerWaalsContact C-N 3.34Å; C71-V73 PolarHBondContact O-N 2.76Å
72	G	80.8	Confident	81.9	Confident	68 Å²	68	71.2 Å²	71.2	70%	0.701	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-4.1	-179.2	0	0	0	0	0	115.6	L70	L70-G72 PolarHBondContact O-N 2.75Å; L70-G72 VanDerWaalsContact O-N 3.1Å
73	V	83.8	Confident	79.7	Confident	57 Å²	57	80.8 Å²	80.8	35%	0.345	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.5	174.2	-60.4	0	0	0	0	111	P17 K69 L70 C71 V75	P17-V73 HydrophobicContact CB-CG2 3.88Å; P17-V73 HydrophobicContact CG-CG2 3.69Å; K69-V73 CarbonylContact C-O 3.44Å; K69-V73 VanDerWaalsContact CA-O 3.25Å; K69-V73 WeakPolarHBondContact CA-O 3.04Å; L70-V73 PolarHBondContact N-O 2.75Å; L70-V73 WeakPolarHBondContact O-CG2 3.41Å; L70-V73 PolarHBondContact O-N 3.3Å; C71-V73 VanDerWaalsContact C-N 3.34Å; C71-V73 PolarHBondContact O-N 2.76Å; V73-V75 PolarHBondContact O-N 2.85Å
74	K	85.8	Confident	77.8	Confident	153 Å²	153	81.9 Å²	81.9	67%	0.665	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.2	178.4	-173.1	162.5	66	161.6	0	109.6	T68	T68-K74 WeakPolarHBondContact O-CA 3.49Å
75	V	88.6	Confident	75.9	Confident	6 Å²	6	84.9 Å²	84.9	4%	0.036	42%	0.424	C	S	.	.			trans	-87.5	149	173.7	-62.9	0	0	0	0	109.8	G14 L16 G67 T68 L70 V73 V77	G14-V75 CarbonylContact O-C 3.56Å; G14-V75 WeakPolarHBondContact O-CA 3.4Å; L16-V75 HydrophobicContact CD2-CG1 3.81Å; G67-V75 WeakPolarHBondContact CA-O 3.15Å; G67-V75 PolarHBondContact N-O 2.67Å; G67-V75 VanDerWaalsContact N-O 3.11Å; T68-V75 WeakPolarHBondContact O-CG2 3.37Å; T68-V75 PolarHBondContact O-N 3.27Å; L70-V75 HydrophobicContact CB-CG1 3.55Å; L70-V75 HydrophobicContact CB-CG2 4.16Å; L70-V75 HydrophobicContact CD2-CG1 4.21Å; V73-V75 PolarHBondContact O-N 2.85Å; V75-V77 HydrophobicContact CG2-CG2 4.31Å
76	R	87.7	Confident	74	Confident	152 Å²	152	90.8 Å²	90.8	57%	0.574	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.3	171.8	179	-179.8	-69.7	-126.2	-0.8	107.5	V13 G14	V13-R76 CarbonylContact C-O 3.53Å; V13-R76 WeakPolarHBondContact CA-O 3.47Å; G14-R76 PolarHBondContact N-O 3.12Å; G14-R76 PolarHBondContact O-N 3.25Å
77	V	90.4	Very high	72.1	Confident	4 Å²	4	95.9 Å²	95.9	2%	0.024	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.2	176.2	-170.3	0	0	0	0	107.2	V11 Y12 V13 F29 V62 L65 D66 V75	V11-V77 HydrophobicContact CG1-CG1 3.37Å; Y12-V77 CarbonylContact O-C 3.6Å; Y12-V77 VanDerWaalsContact O-CA 3.31Å; Y12-V77 WeakPolarHBondContact O-CA 3.43Å; V13-V77 HydrophobicContact CG1-CG2 4.28Å; F29-V77 HydrophobicContact CE1-CG1 3.81Å; F29-V77 HydrophobicContact CZ-CG1 3.6Å; F29-V77 HydrophobicContact CZ-CG2 4.18Å; V62-V77 HydrophobicContact CB-CG1 4.17Å; V62-V77 HydrophobicContact CG1-CG1 4.37Å; V62-V77 WeakPolarHBondContact CG1-O 3.42Å; V62-V77 HydrophobicContact CG2-CG1 3.77Å; L65-V77 HydrophobicContact CB-CB 4.26Å; L65-V77 HydrophobicContact CB-CG1 4.44Å; L65-V77 HydrophobicContact CB-CG2 3.72Å; D66-V77 HydrophobicContact CB-CB 4.12Å; D66-V77 VanDerWaalsContact CB-O 3.23Å; D66-V77 WeakPolarHBondContact CB-O 3.41Å; D66-V77 PolarHBondContact OD2-N 3.36Å; V75-V77 HydrophobicContact CG2-CG2 4.31Å
78	E	88	Confident	70.4	Confident	98 Å²	98	96.5 Å²	96.5	46%	0.458	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.3	-175.4	-169.9	176.6	89.4	0	0	109.4	V11 Y12 S80	V11-E78 CarbonylContact C-O 3.47Å; V11-E78 WeakPolarHBondContact CA-O 3.21Å; Y12-E78 HydrophobicContact CD1-CB 4.4Å; Y12-E78 PolarHBondContact N-O 3.03Å; Y12-E78 PolarHBondContact O-N 2.88Å; E78-S80 PolarHBondContact O-N 3.11Å; E78-S80 VanDerWaalsContact O-N 3.17Å
79	I	86	Confident	68.7	Low	16 Å²	16	104.3 Å²	104.3	8%	0.082	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	118.7	167.5	-68.7	-73.1	0	0	0	107.7	E8 V11 A58 E59 V62 H81	E8-I79 HydrophobicContact CB-CG2 4.08Å; V11-I79 HydrophobicContact CG2-CD1 4.11Å; A58-I79 HydrophobicContact CB-CD1 3.77Å; E59-I79 HydrophobicContact CB-CD1 4.47Å; E59-I79 HydrophobicContact CG-CD1 4Å; E59-I79 HydrophobicContact CG-CG1 3.87Å; V62-I79 HydrophobicContact CB-CD1 4.34Å; V62-I79 HydrophobicContact CB-CG1 4.2Å; V62-I79 HydrophobicContact CG1-CG1 4.26Å; V62-I79 HydrophobicContact CG2-CD1 3.67Å; V62-I79 HydrophobicContact CG2-CG1 3.85Å; I79-H81 VanDerWaalsContact C-N 3.34Å; I79-H81 PolarHBondContact O-CD2 2.97Å; I79-H81 PolarHBondContact O-N 2.81Å
80	S	74.3	Confident	67.3	Low	27 Å²	27	104.5 Å²	104.5	19%	0.189	50%	0.5	C	S	.	.			trans	-74.8	95.5	171.6	-167	0	0	0	0	107.9	K10 E78 G82	K10-S80 WeakPolarHBondContact O-CA 3.49Å; K10-S80 WeakPolarHBondContact O-CB 3.46Å; K10-S80 PolarHBondContact O-N 3.28Å; E78-S80 PolarHBondContact O-N 3.11Å; E78-S80 VanDerWaalsContact O-N 3.17Å; S80-G82 PolarHBondContact O-N 3.11Å
81	H	64.6	Low	66.4	Low	125 Å²	125	110.7 Å²	110.7	58%	0.579	53%	0.528	S	S	*	.			trans	-67.6	59.5	165.6	-58.6	-73.2	0	0	0	110	E8 I79 R83	E8-H81 WeakPolarHBondContact OE1-CA 3.25Å; E8-H81 IonicContact OE1-CE1 3.76Å; E8-H81 IonicContact OE1-CG 3.46Å; E8-H81 IonicContact OE1-ND1 2.69Å; E8-H81 PolarHBondContact OE1-ND1 2.83Å; E8-H81 IonicContact OE2-ND1 3.93Å; I79-H81 VanDerWaalsContact C-N 3.34Å; I79-H81 PolarHBondContact O-CD2 2.97Å; I79-H81 PolarHBondContact O-N 2.81Å; H81-R83 PolarHBondContact O-N 3.1Å
82	G	52.3	Low	65.4	Low	39 Å²	39	112.3 Å²	112.3	40%	0.402	53%	0.531	S	S	.	.			trans	-69.9	76.6	175.4	0	0	0	0	0	108.9	S80 R84	S80-G82 PolarHBondContact O-N 3.11Å; G82-R84 VanDerWaalsContact C-N 3.29Å; G82-R84 WeakPolarHBondContact O-CG 3.43Å; G82-R84 PolarHBondContact O-N 3.03Å
83	R	44.1	Very low	63.9	Low	215 Å²	215	113 Å²	113	81%	0.811	54%	0.538	S	S	*	.			trans	-9	79.6	169.2	-72.1	160.3	67.6	-145.3	5.4	112.8	H81	H81-R83 PolarHBondContact O-N 3.1Å
84	R	46.6	Very low	62.6	Low	204 Å²	204	119.3 Å²	119.3	77%	0.77	56%	0.557	S	S	*	*			trans	-131.8	41.1	166.8	-69	-69.6	-125.3	-72.1	-4.4	109.3	G82	G82-R84 VanDerWaalsContact C-N 3.29Å; G82-R84 WeakPolarHBondContact O-CG 3.43Å; G82-R84 PolarHBondContact O-N 3.03Å
85	R	48.5	Very low	61.1	Low	132 Å²	132	121.2 Å²	121.2	50%	0.498	56%	0.56	S	S	.	*	S	Bend	trans	-132.7	104.4	131.5	-88.3	142.2	-175.1	-139.6	-6.7	101.5	Y4 E5 H6 R87	Y4-R85 PolarHBondContact O-NH2 3.48Å; E5-R85 VanDerWaalsContact CA-NH2 3.33Å; H6-R85 VanDerWaalsContact N-NH2 3.14Å; R85-R87 PolarHBondContact O-N 3.03Å
86	D	49.2	Very low	59.6	Low	145 Å²	145	126.4 Å²	126.4	78%	0.775	60%	0.596	S	S	*	*				26.6	71.4	87.3	-149.7	-92.5	0	0	0	107.9	G88	D86-G88 PolarHBondContact O-N 2.85Å; D86-G88 PolarHBondContact OD1-N 2.93Å
87	R	48.9	Very low	58.4	Low	190 Å²	190	124 Å²	124	72%	0.717	60%	0.595	S	S	*	*			trans	-59.5	76.1	150.5	-94.7	-174.4	-97.1	166.5	-9.1	104.6	R85 R89	R85-R87 PolarHBondContact O-N 3.03Å; R87-R89 HydrophobicContact CB-CB 4.21Å; R87-R89 HydrophobicContact CG-CB 4.29Å; R87-R89 PolarHBondContact O-N 3.32Å
88	G	49.3	Very low	56.6	Low	50 Å²	50	131.5 Å²	131.5	52%	0.515	62%	0.622	S	S	.	*			trans	-62	36.8	143.1	0	0	0	0	0	110.2	D86	D86-G88 PolarHBondContact O-N 2.85Å; D86-G88 PolarHBondContact OD1-N 2.93Å
89	R	50.6	Low	55	Low	214 Å²	214	136.5 Å²	136.5	81%	0.808	64%	0.637	S	S	*	*			trans	-85.4	8.7	160.2	-97.4	-172.6	-168	-107.9	1.5	110.7	R87	R87-R89 HydrophobicContact CB-CB 4.21Å; R87-R89 HydrophobicContact CG-CB 4.29Å; R87-R89 PolarHBondContact O-N 3.32Å
90	F	50.6	Low	53.7	Low	174 Å²	174	150.7 Å²	150.7	76%	0.763	69%	0.69	S	S	*	*			trans	-139.6	61.5	168.1	-74	-81.5	0	0	0	108.8
91	E	54.3	Low	52.6	Low	168 Å²	168	156.9 Å²	156.9	79%	0.785	72%	0.715	S	S	*	*			trans	-132	78	141.3	-166.1	176.4	97.7	0	0	103.8
92	D	49.1	Very low	52	Low	121 Å²	121	158.5 Å²	158.5	65%	0.647	72%	0.722	S	S	*	*				59.8	118	91.8	-73.2	-81.4	0	0	0	111.1
93	G	50.1	Low	52	Low	82 Å²	82	165.2 Å²	165.2	85%	0.845	74%	0.74	S	S	*	*			trans	-53	140.9	-172.3	0	0	0	0	0	114.1
94	Y	54.9	Low	52.5	Low	190 Å²	190	162.2 Å²	162.2	75%	0.745	74%	0.735	S	S	*	*			trans	-143	101.6	138	68.5	-78.8	0	0	0	106.2
95	R	54.6	Low	52.8	Low	194 Å²	194	159.6 Å²	159.6	73%	0.732	73%	0.733	S	S	*	*				57.1	92.4	93.2	-164	-178.9	-166	-137.1	8.3	111.2	D97	R95-D97 HydrophobicContact CG-CB 4.27Å
96	S	58.3	Low	53.1	Low	115 Å²	115	161.5 Å²	161.5	80%	0.804	75%	0.749	S	S	*	*			trans	-144.5	68	144.2	-70	0	0	0	0	105.3
97	D	61.9	Low	53.4	Low	100 Å²	100	162.6 Å²	162.6	54%	0.535	75%	0.747	S	S	.	*				0.5	131.9	93.6	-161.9	-127.6	0	0	0	114.7	R95	R95-D97 HydrophobicContact CG-CB 4.27Å
98	R	53.3	Low	53.7	Low	162 Å²	162	160.5 Å²	160.5	61%	0.611	75%	0.749	S	S	*	*			trans	97.7	111.2	151.1	-100.6	178.2	-119.9	178.4	-7.7	120.7
99	R	53.8	Low	54.1	Low	203 Å²	203	169.8 Å²	169.8	77%	0.766	77%	0.769	S	S	*	*			trans	87.4	128	132.9	-54.7	-132	-152.7	-99.4	10.6	115
100	R	57.9	Low	54.4	Low	314 Å²	314	165.7 Å²	165.7	100%	1.185	77%	0.765	S	S	*	*			cis	-140.9	0	19.8	-76.1	-169.1	-177.7	-172.2	0.9	110.5

Retrieved 100 of 100 residues in 44.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).