A0A077ZKU0_TRITR Loading...

V-type proton ATPase subunit F

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments.

AlphaFold DB , UniProt , Accession A0A077ZKU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 aa.

						>A0A077ZKU0_TRITR|A0A077ZKU0
MTSIVKGKLIAVIGDEDTCVGFLLGGVGELNRSRQPNFLVVDKNVSVQDIENAFKSFVNRDDIAVILMNQHIADVIRYAIDDHVKSIPAVLEIPSKDHPYDPAKDSILRRAKGMFNTEDFR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	67.5	Low	242 Å²	242	103.4 Å²	103.4	100%	1.192	57%	0.57	S	S	*	*				0	95.9	0	-84.5	-176	-103.1	0	0	108	S3	M1-S3 PolarHBondContact O-N 3.5Å
2	T	49.1	Very low	70.1	Confident	113 Å²	113	95.1 Å²	95.1	69%	0.693	52%	0.524	S	S	*	.			trans	-66.9	102.4	169.6	19.8	0	0	0	0	107.3	I4 I87	T2-I4 PolarHBondContact O-N 3.05Å; T2-I4 VanDerWaalsContact O-N 3.16Å; T2-I87 HydrophobicContact CG2-CD1 4.36Å
3	S	45.8	Very low	72.2	Confident	82 Å²	82	87.8 Å²	87.8	57%	0.573	48%	0.484	S	S	*	.			trans	-58.8	118.6	173.6	52.4	0	0	0	0	108.4	M1 V5	M1-S3 PolarHBondContact O-N 3.5Å; S3-V5 PolarHBondContact O-N 3.15Å; S3-V5 WeakPolarHBondContact OG-CG2 3.47Å
4	I	53.4	Low	74	Confident	154 Å²	154	81.5 Å²	81.5	79%	0.79	45%	0.449	S	S	*	.			trans	-68.6	83.8	161	-59	174.3	0	0	0	105.4	T2 K6	T2-I4 PolarHBondContact O-N 3.05Å; T2-I4 VanDerWaalsContact O-N 3.16Å; I4-K6 PolarHBondContact O-N 3.26Å
5	V	51.2	Low	75.5	Confident	79 Å²	79	77.5 Å²	77.5	48%	0.479	43%	0.427	S	S	.	.			trans	-65.6	124.9	172.6	-172	0	0	0	0	106.1	S3 G7	S3-V5 PolarHBondContact O-N 3.15Å; S3-V5 WeakPolarHBondContact OG-CG2 3.47Å; V5-G7 PolarHBondContact O-N 2.62Å
6	K	60.1	Low	76.8	Confident	214 Å²	214	81.6 Å²	81.6	93%	0.93	44%	0.442	S	S	*	.	S	Bend	trans	-47.2	126.9	168.7	-92	-177.9	171.4	-179.4	0	108.6	I4	I4-K6 PolarHBondContact O-N 3.26Å
7	G	73.4	Confident	77.9	Confident	71 Å²	71	81.8 Å²	81.8	73%	0.732	44%	0.443	S	S	*	.			trans	103.6	27.7	177.1	0	0	0	0	0	116.2	V5	V5-G7 PolarHBondContact O-N 2.62Å
8	K	87.4	Confident	78.9	Confident	76 Å²	76	78.1 Å²	78.1	33%	0.33	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-75	146	166	-60.3	-67.1	-176.3	-177.9	0	110.8	D61 D62 A64	K8-D61 PolarHBondContact NZ-O 3.21Å; K8-D62 CarbonylContact C-O 3.5Å; K8-D62 VanDerWaalsContact CA-O 3.29Å; K8-D62 WeakPolarHBondContact CA-O 3.45Å; K8-A64 HydrophobicContact CB-CB 3.43Å; K8-A64 VanDerWaalsContact CB-CB 3.43Å; K8-A64 HydrophobicContact CG-CB 3.99Å
9	L	94	Very high	79.8	Confident	40 Å²	40	74.1 Å²	74.1	21%	0.209	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	156.5	-179	-59	176.7	0	0	0	111.3	E29 D62 I63 A64	L9-E29 HydrophobicContact CD1-CB 4.07Å; L9-E29 HydrophobicContact CD1-CG 3.89Å; L9-E29 HydrophobicContact CD2-CB 4.14Å; L9-E29 HydrophobicContact CD2-CG 4.08Å; L9-D62 WeakPolarHBondContact CD1-OD2 3.41Å; L9-D62 PolarHBondContact N-O 2.95Å; L9-I63 WeakPolarHBondContact O-CA 3.28Å; L9-A64 PolarHBondContact O-N 3.28Å
10	I	95.8	Very high	80.6	Confident	66 Å²	66	74 Å²	74	34%	0.338	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.6	164.3	-59.6	173.3	0	0	0	106.6	V27 N37 V65 L67	I10-V27 HydrophobicContact CB-CG1 3.74Å; I10-V27 HydrophobicContact CG2-CG1 3.91Å; I10-V27 WeakPolarHBondContact O-CG1 3.42Å; I10-N37 PolarHBondContact O-ND2 2.96Å; I10-V65 CarbonylContact C-O 3.44Å; I10-V65 WeakPolarHBondContact CA-O 3.44Å; I10-V65 HydrophobicContact CG1-CB 4.32Å; I10-V65 HydrophobicContact CG2-CB 4.41Å; I10-L67 HydrophobicContact CG2-CD1 3.78Å; I10-L67 HydrophobicContact CG2-CG 3.8Å
11	A	97.5	Very high	81.3	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	152.3	172.1	0	0	0	0	0	111	N37 F57 I63 V65 I66 L67	A11-N37 CarbonylContact C-O 3.45Å; A11-N37 WeakPolarHBondContact CA-O 3.46Å; A11-N37 HydrophobicContact CB-CB 4.28Å; A11-N37 VanDerWaalsContact CB-O 3.24Å; A11-N37 WeakPolarHBondContact CB-O 3.36Å; A11-F57 HydrophobicContact CB-CB 4.46Å; A11-F57 HydrophobicContact CB-CD2 3.7Å; A11-F57 HydrophobicContact CB-CE2 3.99Å; A11-F57 HydrophobicContact CB-CG 3.99Å; A11-I63 HydrophobicContact CB-CD1 3.73Å; A11-I63 HydrophobicContact CB-CG1 4.27Å; A11-I63 HydrophobicContact CB-CG2 3.93Å; A11-V65 PolarHBondContact N-O 2.76Å; A11-I66 HydrophobicContact CB-CG1 4.34Å; A11-I66 CarbonylContact O-C 3.53Å; A11-I66 WeakPolarHBondContact O-CA 3.32Å; A11-L67 PolarHBondContact O-N 3.1Å
12	V	97.9	Very high	84.2	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.024	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.4	-174.1	-173.5	0	0	0	0	110.9	F22 V27 N37 F38 L39 L67	V12-F22 HydrophobicContact CG1-CD2 3.88Å; V12-F22 HydrophobicContact CG1-CG 4.47Å; V12-F22 HydrophobicContact CG2-CB 3.93Å; V12-F22 HydrophobicContact CG2-CD2 4.25Å; V12-F22 HydrophobicContact CG2-CG 4.07Å; V12-V27 HydrophobicContact CG2-CG1 3.89Å; V12-N37 PolarHBondContact N-O 3.14Å; V12-F38 HydrophobicContact CB-CB 4.22Å; V12-F38 CarbonylContact O-C 3.45Å; V12-F38 WeakPolarHBondContact O-CA 3.35Å; V12-F38 WeakPolarHBondContact O-CB 3.26Å; V12-L39 PolarHBondContact O-N 2.86Å; V12-L67 CarbonylContact C-O 3.55Å; V12-L67 WeakPolarHBondContact CA-O 3.47Å; V12-L67 HydrophobicContact CG2-CB 4.41Å; V12-L67 HydrophobicContact CG2-CD1 4.4Å
13	I	97.8	Very high	86.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.5	169.5	-58.6	176.1	0	0	0	107.1	L39 V41 I50 F54 F57 I66 L67 M68 N69 I72	I13-L39 HydrophobicContact CG1-CB 4.38Å; I13-L39 HydrophobicContact CG2-CD2 4.36Å; I13-V41 HydrophobicContact CG2-CG2 3.89Å; I13-I50 HydrophobicContact CG2-CG2 4.32Å; I13-F54 HydrophobicContact CD1-CB 4.02Å; I13-F54 HydrophobicContact CD1-CD2 4.4Å; I13-F57 HydrophobicContact CD1-CD2 3.87Å; I13-F57 HydrophobicContact CD1-CE2 4.07Å; I13-F57 HydrophobicContact CG1-CD2 3.9Å; I13-F57 HydrophobicContact CG1-CE2 3.66Å; I13-I66 HydrophobicContact CD1-CG2 4.45Å; I13-L67 PolarHBondContact N-O 3.23Å; I13-M68 HydrophobicContact CB-CG 4.1Å; I13-M68 HydrophobicContact CG2-CE 4.08Å; I13-M68 HydrophobicContact CG2-CG 4.34Å; I13-M68 VanDerWaalsContact O-CA 3.25Å; I13-M68 WeakPolarHBondContact O-CA 3.31Å; I13-N69 PolarHBondContact O-N 3.32Å; I13-N69 VanDerWaalsContact O-N 3.12Å; I13-I72 HydrophobicContact CG2-CG2 4.3Å
14	G	97.5	Very high	88.8	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	171	-170.5	0	0	0	0	0	114.2	L39 V40 V41 N69	G14-L39 PolarHBondContact N-O 3.25Å; G14-L39 VanDerWaalsContact N-O 3.12Å; G14-V40 CarbonylContact O-C 3.57Å; G14-V40 WeakPolarHBondContact O-CA 3.36Å; G14-V41 PolarHBondContact O-N 3.31Å; G14-N69 WeakPolarHBondContact CA-OD1 3.42Å
15	D	96.2	Very high	90.8	Very high	22 Å²	22	60.8 Å²	60.8	12%	0.118	35%	0.35	C	S	.	.			trans	-65.2	168.9	166.7	59.8	31.6	0	0	0	111.3	D17 T18 C19 N69 H71 S95	D15-D17 VanDerWaalsContact C-N 3.35Å; D15-D17 PolarHBondContact O-N 2.85Å; D15-T18 PolarHBondContact O-N 3.27Å; D15-T18 WeakPolarHBondContact OD1-CB 3.45Å; D15-T18 PolarHBondContact OD1-N 3.11Å; D15-T18 PolarHBondContact OD1-OG1 2.86Å; D15-C19 WeakPolarHBondContact O-CB 3.37Å; D15-C19 PolarHBondContact O-N 2.9Å; D15-N69 PolarHBondContact N-OD1 3.13Å; D15-H71 IonicContact OD2-CE1 3.2Å; D15-S95 WeakPolarHBondContact OD2-CB 3.42Å; D15-S95 PolarHBondContact OD2-OG 2.86Å
16	E	95.8	Very high	92.8	Very high	143 Å²	143	60.1 Å²	60.1	67%	0.668	36%	0.359	S	S	*	.	H	α-helix	trans	-55	-48.5	-176.4	-174.1	176.2	-177.3	0	0	112.2	T18 C19 V20 V40	E16-T18 PolarHBondContact O-N 3.09Å; E16-C19 PolarHBondContact O-N 3.45Å; E16-V20 HydrophobicContact CG-CG2 4.38Å; E16-V20 WeakPolarHBondContact O-CB 3.26Å; E16-V20 WeakPolarHBondContact O-CG2 3.48Å; E16-V20 PolarHBondContact O-N 3.36Å; E16-V40 HydrophobicContact CB-CG1 4.16Å
17	D	95.5	Very high	94.3	Very high	84 Å²	84	51.2 Å²	51.2	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-44	179.9	-78.7	-53	0	0	0	111.3	D15 G21 K96	D15-D17 VanDerWaalsContact C-N 3.35Å; D15-D17 PolarHBondContact O-N 2.85Å; D17-G21 PolarHBondContact O-N 3.16Å; D17-K96 HydrophobicContact CB-CD 4.28Å; D17-K96 IonicContact OD1-NZ 3.37Å; D17-K96 PolarHBondContact OD1-NZ 3.47Å; D17-K96 WeakPolarHBondContact OD2-CD 3.42Å; D17-K96 IonicContact OD2-NZ 2.84Å; D17-K96 PolarHBondContact OD2-NZ 2.89Å
18	T	96.1	Very high	95.2	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-50.6	178.5	-59.5	0	0	0	0	111.3	D15 E16 V20 G21 F22 N69 I93	D15-T18 PolarHBondContact O-N 3.27Å; D15-T18 WeakPolarHBondContact OD1-CB 3.45Å; D15-T18 PolarHBondContact OD1-N 3.11Å; D15-T18 PolarHBondContact OD1-OG1 2.86Å; E16-T18 PolarHBondContact O-N 3.09Å; T18-V20 PolarHBondContact O-N 2.94Å; T18-G21 PolarHBondContact O-N 3.15Å; T18-F22 HydrophobicContact CG2-CD2 3.83Å; T18-F22 HydrophobicContact CG2-CE2 3.69Å; T18-F22 VanDerWaalsContact O-CD2 3.25Å; T18-F22 WeakPolarHBondContact O-CD2 3.43Å; T18-F22 PolarHBondContact O-N 3.12Å; T18-F22 VanDerWaalsContact O-N 3.09Å; T18-N69 WeakPolarHBondContact CG2-ND2 3.46Å; T18-N69 PolarHBondContact OG1-ND2 3.12Å; T18-N69 PolarHBondContact OG1-OD1 2.77Å; T18-I93 HydrophobicContact CG2-CD1 3.69Å
19	C	96.2	Very high	95.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-46.2	-179.9	-77.6	0	0	0	0	111.4	D15 E16 G21 F22 L23 L39 V40	D15-C19 WeakPolarHBondContact O-CB 3.37Å; D15-C19 PolarHBondContact O-N 2.9Å; E16-C19 PolarHBondContact O-N 3.45Å; C19-G21 VanDerWaalsContact C-N 3.3Å; C19-G21 PolarHBondContact O-N 3.27Å; C19-F22 PolarHBondContact O-N 3.24Å; C19-L23 WeakPolarHBondContact O-CB 3.29Å; C19-L23 WeakPolarHBondContact O-CG 3.46Å; C19-L23 PolarHBondContact O-N 3.37Å; C19-L39 PolarHBondContact SG-O 3.24Å; C19-V40 HydrophobicContact CB-CG2 3.8Å
20	V	96	Very high	95.4	Very high	73 Å²	73	53.3 Å²	53.3	44%	0.442	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-44.7	176.4	170.1	0	0	0	0	110.8	E16 T18 F22 L23 L24	E16-V20 HydrophobicContact CG-CG2 4.38Å; E16-V20 WeakPolarHBondContact O-CB 3.26Å; E16-V20 WeakPolarHBondContact O-CG2 3.48Å; E16-V20 PolarHBondContact O-N 3.36Å; T18-V20 PolarHBondContact O-N 2.94Å; V20-F22 PolarHBondContact O-N 3.34Å; V20-L23 PolarHBondContact O-N 2.59Å; V20-L24 HydrophobicContact CG1-CD1 4.09Å; V20-L24 HydrophobicContact CG1-CG 4.47Å; V20-L24 WeakPolarHBondContact O-CG 3.27Å; V20-L24 PolarHBondContact O-N 3.36Å
21	G	96	Very high	95	Very high	43 Å²	43	52.1 Å²	52.1	44%	0.443	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-48.5	176.7	0	0	0	0	0	113.5	D17 T18 C19 L24 G25	D17-G21 PolarHBondContact O-N 3.16Å; T18-G21 PolarHBondContact O-N 3.15Å; C19-G21 VanDerWaalsContact C-N 3.3Å; C19-G21 PolarHBondContact O-N 3.27Å; G21-L24 PolarHBondContact O-N 3.22Å; G21-G25 PolarHBondContact O-N 2.87Å; G21-G25 VanDerWaalsContact O-N 3.15Å
22	F	96.5	Very high	94.5	Very high	65 Å²	65	64.4 Å²	64.4	29%	0.285	37%	0.365	S	S	.	.	H	α-helix	trans	-71.7	-32.2	178.7	-76.4	-68.5	0	0	0	113.7	V12 T18 C19 V20 G25 G26 V27 L67 I93	V12-F22 HydrophobicContact CG1-CD2 3.88Å; V12-F22 HydrophobicContact CG1-CG 4.47Å; V12-F22 HydrophobicContact CG2-CB 3.93Å; V12-F22 HydrophobicContact CG2-CD2 4.25Å; V12-F22 HydrophobicContact CG2-CG 4.07Å; T18-F22 HydrophobicContact CG2-CD2 3.83Å; T18-F22 HydrophobicContact CG2-CE2 3.69Å; T18-F22 VanDerWaalsContact O-CD2 3.25Å; T18-F22 WeakPolarHBondContact O-CD2 3.43Å; T18-F22 PolarHBondContact O-N 3.12Å; T18-F22 VanDerWaalsContact O-N 3.09Å; C19-F22 PolarHBondContact O-N 3.24Å; V20-F22 PolarHBondContact O-N 3.34Å; F22-G25 CarbonylContact O-C 3.55Å; F22-G25 WeakPolarHBondContact O-CA 3.4Å; F22-G25 PolarHBondContact O-N 3.37Å; F22-G25 VanDerWaalsContact O-N 3.14Å; F22-G26 PolarHBondContact O-N 3.2Å; F22-V27 HydrophobicContact CB-CB 4.37Å; F22-V27 HydrophobicContact CB-CG2 4.41Å; F22-V27 HydrophobicContact CD1-CG2 4.32Å; F22-V27 WeakPolarHBondContact O-CB 3.5Å; F22-V27 PolarHBondContact O-N 3.39Å; F22-L67 HydrophobicContact CD1-CD1 3.82Å; F22-L67 HydrophobicContact CD2-CD1 4.42Å; F22-L67 HydrophobicContact CE1-CD1 3.35Å; F22-L67 HydrophobicContact CE2-CD1 4.02Å; F22-L67 HydrophobicContact CG-CD1 4.34Å; F22-L67 HydrophobicContact CZ-CD1 3.48Å; F22-L67 VanDerWaalsContact CZ-CD1 3.48Å; F22-I93 HydrophobicContact CE2-CD1 3.43Å; F22-I93 VanDerWaalsContact CE2-CD1 3.43Å; F22-I93 HydrophobicContact CZ-CD1 3.85Å
23	L	95.7	Very high	94.2	Very high	65 Å²	65	68.6 Å²	68.6	34%	0.34	40%	0.395	S	S	.	.	H	α-helix	trans	-65	-41	174.1	-70.8	175.1	0	0	0	111.2	C19 V20 G25 G26 F38	C19-L23 WeakPolarHBondContact O-CB 3.29Å; C19-L23 WeakPolarHBondContact O-CG 3.46Å; C19-L23 PolarHBondContact O-N 3.37Å; V20-L23 PolarHBondContact O-N 2.59Å; L23-G25 PolarHBondContact O-N 3.16Å; L23-G26 PolarHBondContact O-N 2.82Å; L23-F38 HydrophobicContact CD1-CD2 4.38Å; L23-F38 HydrophobicContact CD1-CE2 4.12Å; L23-F38 HydrophobicContact CD1-CZ 4.22Å; L23-F38 HydrophobicContact CD2-CD1 3.74Å; L23-F38 HydrophobicContact CD2-CE1 3.75Å; L23-F38 HydrophobicContact CD2-CG 4.22Å; L23-F38 HydrophobicContact CD2-CZ 4.22Å
24	L	95.9	Very high	93.8	Very high	148 Å²	148	78.4 Å²	78.4	78%	0.775	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-31.5	171.2	-70.6	171.4	0	0	0	112.3	V20 G21 G26	V20-L24 HydrophobicContact CG1-CD1 4.09Å; V20-L24 HydrophobicContact CG1-CG 4.47Å; V20-L24 WeakPolarHBondContact O-CG 3.27Å; V20-L24 PolarHBondContact O-N 3.36Å; G21-L24 PolarHBondContact O-N 3.22Å; L24-G26 PolarHBondContact O-N 2.9Å
25	G	93.8	Very high	93.5	Very high	66 Å²	66	83 Å²	83	68%	0.68	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.4	172.4	0	0	0	0	0	115	G21 F22 L23	G21-G25 PolarHBondContact O-N 2.87Å; G21-G25 VanDerWaalsContact O-N 3.15Å; F22-G25 CarbonylContact O-C 3.55Å; F22-G25 WeakPolarHBondContact O-CA 3.4Å; F22-G25 PolarHBondContact O-N 3.37Å; F22-G25 VanDerWaalsContact O-N 3.14Å; L23-G25 PolarHBondContact O-N 3.16Å
26	G	92.9	Very high	93.4	Very high	65 Å²	65	84.3 Å²	84.3	67%	0.67	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	20	178.2	0	0	0	0	0	114.9	F22 L23 L24	F22-G26 PolarHBondContact O-N 3.2Å; L23-G26 PolarHBondContact O-N 2.82Å; L24-G26 PolarHBondContact O-N 2.9Å
27	V	93.3	Very high	93.4	Very high	27 Å²	27	77.5 Å²	77.5	16%	0.164	43%	0.431	C	S	.	.			trans	-77.5	-28	177.8	172.1	0	0	0	0	112.6	I10 V12 F22 E29 N37	I10-V27 HydrophobicContact CB-CG1 3.74Å; I10-V27 HydrophobicContact CG2-CG1 3.91Å; I10-V27 WeakPolarHBondContact O-CG1 3.42Å; V12-V27 HydrophobicContact CG2-CG1 3.89Å; F22-V27 HydrophobicContact CB-CB 4.37Å; F22-V27 HydrophobicContact CB-CG2 4.41Å; F22-V27 HydrophobicContact CD1-CG2 4.32Å; F22-V27 WeakPolarHBondContact O-CB 3.5Å; F22-V27 PolarHBondContact O-N 3.39Å; V27-E29 PolarHBondContact O-N 3.03Å; V27-N37 PolarHBondContact O-ND2 3.01Å
28	G	91.9	Very high	93.5	Very high	32 Å²	32	76.1 Å²	76.1	33%	0.33	42%	0.421	S	S	.	.			trans	-66.6	124.2	-172.5	0	0	0	0	0	113.8
29	E	92.5	Very high	93.6	Very high	104 Å²	104	77.2 Å²	77.2	49%	0.486	43%	0.426	S	S	.	.			trans	-137.5	143.2	178.2	-174	67.9	-168.6	0	0	110	L9 V27 N37	L9-E29 HydrophobicContact CD1-CB 4.07Å; L9-E29 HydrophobicContact CD1-CG 3.89Å; L9-E29 HydrophobicContact CD2-CB 4.14Å; L9-E29 HydrophobicContact CD2-CG 4.08Å; V27-E29 PolarHBondContact O-N 3.03Å; E29-N37 PolarHBondContact N-OD1 3.44Å; E29-N37 PolarHBondContact O-N 2.92Å; E29-N37 VanDerWaalsContact O-N 3.15Å; E29-N37 PolarHBondContact O-OD1 3.47Å; E29-N37 VanDerWaalsContact O-OD1 3.08Å
30	L	91.9	Very high	93.6	Very high	96 Å²	96	79.9 Å²	79.9	50%	0.503	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-106.8	127.7	170.6	-64.8	177.4	0	0	0	109.1	P36	L30-P36 HydrophobicContact CD2-CB 3.95Å
31	N	87.9	Confident	93.6	Very high	40 Å²	40	77.5 Å²	77.5	21%	0.214	43%	0.428	C	S	.	.			trans	-71.6	177.4	174.2	76.1	8.9	0	0	0	111.7	S33 R34 Q35	N31-S33 PolarHBondContact O-N 3.46Å; N31-S33 VanDerWaalsContact O-N 3.11Å; N31-S33 VanDerWaalsContact OD1-C 3.27Å; N31-S33 VanDerWaalsContact OD1-CA 3.29Å; N31-S33 WeakPolarHBondContact OD1-CA 3.29Å; N31-S33 WeakPolarHBondContact OD1-CB 3.36Å; N31-S33 PolarHBondContact OD1-N 3.19Å; N31-R34 WeakPolarHBondContact O-CA 3.45Å; N31-R34 PolarHBondContact O-N 2.92Å; N31-R34 PolarHBondContact OD1-N 3.5Å; N31-R34 VanDerWaalsContact OD1-N 3.13Å; N31-Q35 PolarHBondContact N-O 3.35Å; N31-Q35 PolarHBondContact ND2-OE1 2.88Å; N31-Q35 WeakPolarHBondContact OD1-CB 3.44Å; N31-Q35 PolarHBondContact OD1-N 2.9Å
32	R	87.6	Confident	93.5	Very high	258 Å²	258	79.2 Å²	79.2	97%	0.974	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.6	178	-65.9	-176.9	-179.1	178.1	0.4	113.8	R34	R32-R34 VanDerWaalsContact C-N 3.27Å
33	S	90.6	Very high	93.3	Very high	92 Å²	92	86.2 Å²	86.2	64%	0.643	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	10.3	176.3	-53.5	0	0	0	0	112.9	N31 Q35	N31-S33 PolarHBondContact O-N 3.46Å; N31-S33 VanDerWaalsContact O-N 3.11Å; N31-S33 VanDerWaalsContact OD1-C 3.27Å; N31-S33 VanDerWaalsContact OD1-CA 3.29Å; N31-S33 WeakPolarHBondContact OD1-CA 3.29Å; N31-S33 WeakPolarHBondContact OD1-CB 3.36Å; N31-S33 PolarHBondContact OD1-N 3.19Å; S33-Q35 PolarHBondContact O-N 3.37Å
34	R	89.5	Confident	93.2	Very high	207 Å²	207	89.8 Å²	89.8	78%	0.781	48%	0.477	S	S	*	.			trans	58.5	26.4	-175.7	-54.4	-177.8	69.2	176.8	1.8	114	N31 R32	N31-R34 WeakPolarHBondContact O-CA 3.45Å; N31-R34 PolarHBondContact O-N 2.92Å; N31-R34 PolarHBondContact OD1-N 3.5Å; N31-R34 VanDerWaalsContact OD1-N 3.13Å; R32-R34 VanDerWaalsContact C-N 3.27Å
35	Q	91.2	Very high	93.1	Very high	97 Å²	97	84.5 Å²	84.5	45%	0.453	45%	0.45	S	S	.	.			trans	-87.6	129.2	173.3	-58.9	170.9	-39.9	0	0	109.4	N31 S33	N31-Q35 PolarHBondContact N-O 3.35Å; N31-Q35 PolarHBondContact ND2-OE1 2.88Å; N31-Q35 WeakPolarHBondContact OD1-CB 3.44Å; N31-Q35 PolarHBondContact OD1-N 2.9Å; S33-Q35 PolarHBondContact O-N 3.37Å
36	P	95.2	Very high	93.3	Very high	48 Å²	48	83.7 Å²	83.7	31%	0.312	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-71.3	157.9	177.6	31.1	-35.1	0	0	0	111.8	L30 F38 F57 R60	L30-P36 HydrophobicContact CD2-CB 3.95Å; P36-F38 HydrophobicContact CB-CD1 3.72Å; P36-F38 HydrophobicContact CB-CE1 3.58Å; P36-F38 HydrophobicContact CB-CE2 4.43Å; P36-F38 HydrophobicContact CB-CG 4.22Å; P36-F38 HydrophobicContact CB-CZ 3.97Å; P36-F38 WeakPolarHBondContact CG-O 3.47Å; P36-F57 WeakPolarHBondContact O-CE1 3.47Å; P36-R60 PolarHBondContact O-NH1 3.49Å; P36-R60 VanDerWaalsContact O-NH1 3.14Å
37	N	95.9	Very high	93.4	Very high	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.423	C	S	.	.	S	Bend	trans	-89.8	20.1	162.7	64.6	-20.1	0	0	0	112.2	I10 A11 V12 V27 E29 F57	I10-N37 PolarHBondContact O-ND2 2.96Å; A11-N37 CarbonylContact C-O 3.45Å; A11-N37 WeakPolarHBondContact CA-O 3.46Å; A11-N37 HydrophobicContact CB-CB 4.28Å; A11-N37 VanDerWaalsContact CB-O 3.24Å; A11-N37 WeakPolarHBondContact CB-O 3.36Å; V12-N37 PolarHBondContact N-O 3.14Å; V27-N37 PolarHBondContact O-ND2 3.01Å; E29-N37 PolarHBondContact N-OD1 3.44Å; E29-N37 PolarHBondContact O-N 2.92Å; E29-N37 VanDerWaalsContact O-N 3.15Å; E29-N37 PolarHBondContact O-OD1 3.47Å; E29-N37 VanDerWaalsContact O-OD1 3.08Å; N37-F57 VanDerWaalsContact C-CZ 3.5Å
38	F	97.4	Very high	93.6	Very high	55 Å²	55	87.4 Å²	87.4	24%	0.241	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.6	176.4	62.1	-86.7	0	0	0	111.9	V12 L23 P36 V40	V12-F38 HydrophobicContact CB-CB 4.22Å; V12-F38 CarbonylContact O-C 3.45Å; V12-F38 WeakPolarHBondContact O-CA 3.35Å; V12-F38 WeakPolarHBondContact O-CB 3.26Å; L23-F38 HydrophobicContact CD1-CD2 4.38Å; L23-F38 HydrophobicContact CD1-CE2 4.12Å; L23-F38 HydrophobicContact CD1-CZ 4.22Å; L23-F38 HydrophobicContact CD2-CD1 3.74Å; L23-F38 HydrophobicContact CD2-CE1 3.75Å; L23-F38 HydrophobicContact CD2-CG 4.22Å; L23-F38 HydrophobicContact CD2-CZ 4.22Å; P36-F38 HydrophobicContact CB-CD1 3.72Å; P36-F38 HydrophobicContact CB-CE1 3.58Å; P36-F38 HydrophobicContact CB-CE2 4.43Å; P36-F38 HydrophobicContact CB-CG 4.22Å; P36-F38 HydrophobicContact CB-CZ 3.97Å; P36-F38 WeakPolarHBondContact CG-O 3.47Å; F38-V40 HydrophobicContact CD2-CG2 4.32Å
39	L	97.4	Very high	93.8	Very high	39 Å²	39	89.6 Å²	89.6	20%	0.204	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.7	170	176.6	68.7	0	0	0	108.2	V12 I13 G14 C19 V41 V45 I50 A53	V12-L39 PolarHBondContact O-N 2.86Å; I13-L39 HydrophobicContact CG1-CB 4.38Å; I13-L39 HydrophobicContact CG2-CD2 4.36Å; G14-L39 PolarHBondContact N-O 3.25Å; G14-L39 VanDerWaalsContact N-O 3.12Å; C19-L39 PolarHBondContact SG-O 3.24Å; L39-V41 HydrophobicContact CD2-CG2 4.1Å; L39-V41 HydrophobicContact CG-CG2 4.17Å; L39-V45 HydrophobicContact CD2-CG1 4.44Å; L39-I50 HydrophobicContact CD2-CG1 4.46Å; L39-A53 HydrophobicContact CB-CB 4.29Å; L39-A53 HydrophobicContact CD2-CB 3.55Å; L39-A53 HydrophobicContact CG-CB 4.42Å
40	V	96.9	Very high	94	Very high	57 Å²	57	85 Å²	85	35%	0.345	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.8	169.1	-175.8	0	0	0	0	107.9	G14 E16 C19 F38	G14-V40 CarbonylContact O-C 3.57Å; G14-V40 WeakPolarHBondContact O-CA 3.36Å; E16-V40 HydrophobicContact CB-CG1 4.16Å; C19-V40 HydrophobicContact CB-CG2 3.8Å; F38-V40 HydrophobicContact CD2-CG2 4.32Å
41	V	96.6	Very high	94.3	Very high	24 Å²	24	81.3 Å²	81.3	15%	0.145	40%	0.4	C	S	.	.			trans	-99.1	109.7	179.7	-178.2	0	0	0	0	108.5	I13 G14 L39 V45 I50 I72	I13-V41 HydrophobicContact CG2-CG2 3.89Å; G14-V41 PolarHBondContact O-N 3.31Å; L39-V41 HydrophobicContact CD2-CG2 4.1Å; L39-V41 HydrophobicContact CG-CG2 4.17Å; V41-V45 HydrophobicContact CG1-CB 4.43Å; V41-I50 HydrophobicContact CG1-CD1 3.83Å; V41-I50 HydrophobicContact CG1-CG1 4.31Å; V41-I50 HydrophobicContact CG2-CD1 4.46Å; V41-I50 HydrophobicContact CG2-CG1 4.17Å; V41-I72 HydrophobicContact CB-CD1 3.79Å; V41-I72 HydrophobicContact CG1-CD1 4.19Å; V41-I72 HydrophobicContact CG1-CG2 4.39Å; V41-I72 HydrophobicContact CG2-CD1 3.89Å; V41-I72 HydrophobicContact CG2-CG2 4.19Å
42	D	93.4	Very high	94.7	Very high	79 Å²	79	83.2 Å²	83.2	42%	0.422	41%	0.411	S	S	.	.			trans	-106.4	-172.2	170.4	75.4	2.4	0	0	0	110.4	N44 V45	D42-N44 PolarHBondContact O-N 3.5Å; D42-N44 VanDerWaalsContact OD1-CA 3.31Å; D42-N44 WeakPolarHBondContact OD1-CA 3.44Å; D42-N44 VanDerWaalsContact OD1-CB 3.28Å; D42-N44 WeakPolarHBondContact OD1-CB 3.5Å; D42-N44 PolarHBondContact OD1-N 3.16Å; D42-N44 PolarHBondContact OD2-ND2 2.91Å; D42-V45 WeakPolarHBondContact OD1-CG2 3.45Å; D42-V45 PolarHBondContact OD1-N 2.74Å
43	K	90.9	Very high	95.1	Very high	212 Å²	212	71.8 Å²	71.8	92%	0.922	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.9	178.7	-62.1	178.4	-177.6	176.1	0	113.9
44	N	93.9	Very high	95.4	Very high	139 Å²	139	67.6 Å²	67.6	74%	0.743	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-22.5	-176.7	-51.8	-56.5	0	0	0	112.1	D42 S46	D42-N44 PolarHBondContact O-N 3.5Å; D42-N44 VanDerWaalsContact OD1-CA 3.31Å; D42-N44 WeakPolarHBondContact OD1-CA 3.44Å; D42-N44 VanDerWaalsContact OD1-CB 3.28Å; D42-N44 WeakPolarHBondContact OD1-CB 3.5Å; D42-N44 PolarHBondContact OD1-N 3.16Å; D42-N44 PolarHBondContact OD2-ND2 2.91Å; N44-S46 PolarHBondContact O-N 3.15Å
45	V	94.8	Very high	95.8	Very high	37 Å²	37	62.4 Å²	62.4	22%	0.224	32%	0.324	C	S	.	.	S	Bend	trans	-67.8	125	175.9	177.4	0	0	0	0	110	L39 V41 D42 D49 I50	L39-V45 HydrophobicContact CD2-CG1 4.44Å; V41-V45 HydrophobicContact CG1-CB 4.43Å; D42-V45 WeakPolarHBondContact OD1-CG2 3.45Å; D42-V45 PolarHBondContact OD1-N 2.74Å; V45-D49 HydrophobicContact CG1-CB 3.85Å; V45-I50 HydrophobicContact CG1-CD1 4.47Å; V45-I50 HydrophobicContact CG1-CG1 3.8Å
46	S	96.5	Very high	96	Very high	50 Å²	50	60.2 Å²	60.2	35%	0.35	32%	0.32	S	S	.	.			trans	-78.4	157.4	-179.9	77.1	0	0	0	0	111.8	N44 Q48 D49 I50	N44-S46 PolarHBondContact O-N 3.15Å; S46-Q48 PolarHBondContact O-N 3.33Å; S46-Q48 PolarHBondContact OG-N 3.08Å; S46-D49 WeakPolarHBondContact CB-OD2 3.39Å; S46-D49 PolarHBondContact N-OD2 3.22Å; S46-D49 WeakPolarHBondContact O-CB 3.29Å; S46-D49 PolarHBondContact O-N 2.76Å; S46-D49 PolarHBondContact OG-N 3.37Å; S46-D49 PolarHBondContact OG-OD2 3.2Å; S46-I50 PolarHBondContact O-N 3.48Å
47	V	96.3	Very high	96	Very high	69 Å²	69	58.4 Å²	58.4	42%	0.418	31%	0.307	S	S	.	.	H	α-helix	trans	-54.9	-37	172.8	179.7	0	0	0	0	111.5	D49 I50 E51 V75 I76	V47-D49 VanDerWaalsContact C-N 3.32Å; V47-D49 PolarHBondContact O-N 2.85Å; V47-I50 PolarHBondContact O-N 3.04Å; V47-E51 PolarHBondContact O-N 3.49Å; V47-V75 HydrophobicContact CB-CG1 4.16Å; V47-V75 HydrophobicContact CG1-CG1 3.68Å; V47-V75 HydrophobicContact CG2-CG1 3.48Å; V47-V75 VanDerWaalsContact CG2-CG1 3.48Å; V47-I76 HydrophobicContact CG1-CG2 3.93Å
48	Q	96.6	Very high	96	Very high	100 Å²	100	59.6 Å²	59.6	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-37.1	178.7	-169.4	60.5	71.1	0	0	111.9	S46 E51 N52	S46-Q48 PolarHBondContact O-N 3.33Å; S46-Q48 PolarHBondContact OG-N 3.08Å; Q48-E51 PolarHBondContact NE2-OE2 3.3Å; Q48-E51 PolarHBondContact O-N 3.09Å; Q48-N52 PolarHBondContact NE2-OD1 2.86Å; Q48-N52 VanDerWaalsContact O-CB 3.29Å; Q48-N52 WeakPolarHBondContact O-CB 3.38Å; Q48-N52 PolarHBondContact O-N 2.81Å; Q48-N52 PolarHBondContact O-ND2 3.18Å; Q48-N52 VanDerWaalsContact O-ND2 3.15Å; Q48-N52 PolarHBondContact O-OD1 3.23Å
49	D	96.5	Very high	95.8	Very high	78 Å²	78	62.7 Å²	62.7	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-69	-39.7	178	-61.6	-44.4	0	0	0	111.5	V45 S46 V47 N52 A53	V45-D49 HydrophobicContact CG1-CB 3.85Å; S46-D49 WeakPolarHBondContact CB-OD2 3.39Å; S46-D49 PolarHBondContact N-OD2 3.22Å; S46-D49 WeakPolarHBondContact O-CB 3.29Å; S46-D49 PolarHBondContact O-N 2.76Å; S46-D49 PolarHBondContact OG-N 3.37Å; S46-D49 PolarHBondContact OG-OD2 3.2Å; V47-D49 VanDerWaalsContact C-N 3.32Å; V47-D49 PolarHBondContact O-N 2.85Å; D49-N52 PolarHBondContact O-N 2.88Å; D49-A53 WeakPolarHBondContact O-CB 3.32Å; D49-A53 PolarHBondContact O-N 2.62Å
50	I	97.5	Very high	95.6	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.046	33%	0.328	C	S	.	.	H	α-helix	trans	-61.4	-47.7	174.5	-59.3	167.5	0	0	0	109.9	I13 L39 V41 V45 S46 V47 N52 A53 F54 M68 I72 I76	I13-I50 HydrophobicContact CG2-CG2 4.32Å; L39-I50 HydrophobicContact CD2-CG1 4.46Å; V41-I50 HydrophobicContact CG1-CD1 3.83Å; V41-I50 HydrophobicContact CG1-CG1 4.31Å; V41-I50 HydrophobicContact CG2-CD1 4.46Å; V41-I50 HydrophobicContact CG2-CG1 4.17Å; V45-I50 HydrophobicContact CG1-CD1 4.47Å; V45-I50 HydrophobicContact CG1-CG1 3.8Å; S46-I50 PolarHBondContact O-N 3.48Å; V47-I50 PolarHBondContact O-N 3.04Å; I50-N52 PolarHBondContact O-N 3Å; I50-A53 PolarHBondContact O-N 3.04Å; I50-F54 WeakPolarHBondContact O-CB 3.48Å; I50-F54 PolarHBondContact O-N 3.02Å; I50-M68 HydrophobicContact CG2-CE 3.81Å; I50-I72 HydrophobicContact CD1-CG2 3.94Å; I50-I72 HydrophobicContact CG1-CG2 4.49Å; I50-I72 HydrophobicContact CG2-CG2 3.77Å; I50-I76 HydrophobicContact CB-CG2 4.44Å; I50-I76 HydrophobicContact CG2-CD1 3.99Å; I50-I76 HydrophobicContact CG2-CG1 4.25Å; I50-I76 HydrophobicContact CG2-CG2 4.19Å
51	E	97.1	Very high	95.3	Very high	17 Å²	17	66.2 Å²	66.2	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-44.4	178	-167.7	-163.9	173.1	0	0	111.8	V47 Q48 A53 F54 K55 I76 Y78 A79	V47-E51 PolarHBondContact O-N 3.49Å; Q48-E51 PolarHBondContact NE2-OE2 3.3Å; Q48-E51 PolarHBondContact O-N 3.09Å; E51-A53 PolarHBondContact O-N 2.88Å; E51-F54 PolarHBondContact O-N 2.82Å; E51-K55 HydrophobicContact CG-CD 4.28Å; E51-K55 WeakPolarHBondContact O-CB 3.36Å; E51-K55 WeakPolarHBondContact O-CG 3.47Å; E51-K55 PolarHBondContact O-N 3.43Å; E51-K55 VanDerWaalsContact OE1-CE 3.26Å; E51-K55 WeakPolarHBondContact OE1-CE 3.08Å; E51-K55 IonicContact OE1-NZ 2.62Å; E51-K55 PolarHBondContact OE1-NZ 3.18Å; E51-I76 HydrophobicContact CB-CG2 4.07Å; E51-Y78 VanDerWaalsContact CD-OH 3.24Å; E51-Y78 HydrophobicContact CG-CE2 4.4Å; E51-Y78 PolarHBondContact OE2-OH 3.2Å; E51-A79 HydrophobicContact CG-CB 4.15Å
52	N	96.8	Very high	95	Very high	81 Å²	81	67.7 Å²	67.7	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-42.6	178	-72.5	-20.7	0	0	0	111.6	Q48 D49 I50 S56	Q48-N52 PolarHBondContact NE2-OD1 2.86Å; Q48-N52 VanDerWaalsContact O-CB 3.29Å; Q48-N52 WeakPolarHBondContact O-CB 3.38Å; Q48-N52 PolarHBondContact O-N 2.81Å; Q48-N52 PolarHBondContact O-ND2 3.18Å; Q48-N52 VanDerWaalsContact O-ND2 3.15Å; Q48-N52 PolarHBondContact O-OD1 3.23Å; D49-N52 PolarHBondContact O-N 2.88Å; I50-N52 PolarHBondContact O-N 3Å; N52-S56 VanDerWaalsContact O-CB 3.26Å; N52-S56 WeakPolarHBondContact O-CB 3.24Å; N52-S56 PolarHBondContact O-N 3.36Å
53	A	96.6	Very high	95.1	Very high	17 Å²	17	64 Å²	64	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-44.8	176.3	0	0	0	0	0	111.8	L39 D49 I50 E51 S56 F57	L39-A53 HydrophobicContact CB-CB 4.29Å; L39-A53 HydrophobicContact CD2-CB 3.55Å; L39-A53 HydrophobicContact CG-CB 4.42Å; D49-A53 WeakPolarHBondContact O-CB 3.32Å; D49-A53 PolarHBondContact O-N 2.62Å; I50-A53 PolarHBondContact O-N 3.04Å; E51-A53 PolarHBondContact O-N 2.88Å; A53-S56 WeakPolarHBondContact O-CB 3.03Å; A53-S56 PolarHBondContact O-N 3.32Å; A53-F57 WeakPolarHBondContact O-CG 3.45Å; A53-F57 PolarHBondContact O-N 2.78Å
54	F	97.4	Very high	95.2	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-57.8	-51	175.2	178.1	-101.6	0	0	0	111.4	I13 I50 E51 S56 F57 V58 I66 I76 A79 I80 H83 V90	I13-F54 HydrophobicContact CD1-CB 4.02Å; I13-F54 HydrophobicContact CD1-CD2 4.4Å; I50-F54 WeakPolarHBondContact O-CB 3.48Å; I50-F54 PolarHBondContact O-N 3.02Å; E51-F54 PolarHBondContact O-N 2.82Å; F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 2.85Å; F54-F57 PolarHBondContact O-N 2.93Å; F54-F57 VanDerWaalsContact O-N 3.16Å; F54-V58 HydrophobicContact CD1-CG2 4.24Å; F54-V58 HydrophobicContact CD2-CG2 4.47Å; F54-V58 HydrophobicContact CE1-CG2 3.81Å; F54-V58 HydrophobicContact CE2-CG2 4.07Å; F54-V58 HydrophobicContact CZ-CG2 3.72Å; F54-V58 WeakPolarHBondContact O-CG2 3.45Å; F54-V58 PolarHBondContact O-N 2.79Å; F54-I66 HydrophobicContact CE2-CD1 4.35Å; F54-I76 HydrophobicContact CB-CD1 3.74Å; F54-I76 HydrophobicContact CD1-CD1 4.26Å; F54-I76 HydrophobicContact CD2-CD1 4.42Å; F54-I76 HydrophobicContact CG-CD1 3.89Å; F54-A79 HydrophobicContact CD1-CB 4.23Å; F54-A79 HydrophobicContact CE1-CB 4.42Å; F54-A79 WeakPolarHBondContact CE1-O 2.96Å; F54-I80 HydrophobicContact CE1-CG1 4.23Å; F54-I80 HydrophobicContact CE2-CG1 4.06Å; F54-I80 HydrophobicContact CZ-CB 4.38Å; F54-I80 HydrophobicContact CZ-CG1 3.88Å; F54-H83 HydrophobicContact CE1-CB 4.5Å; F54-H83 HydrophobicContact CZ-CB 4.3Å; F54-V90 HydrophobicContact CE2-CG1 4.04Å; F54-V90 HydrophobicContact CE2-CG2 3.77Å; F54-V90 HydrophobicContact CZ-CG2 3.96Å
55	K	96.4	Very high	95.3	Very high	98 Å²	98	50.3 Å²	50.3	43%	0.426	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-38.8	176.6	-75.4	174.7	170.6	172.5	0	112.4	E51 V58 N59	E51-K55 HydrophobicContact CG-CD 4.28Å; E51-K55 WeakPolarHBondContact O-CB 3.36Å; E51-K55 WeakPolarHBondContact O-CG 3.47Å; E51-K55 PolarHBondContact O-N 3.43Å; E51-K55 VanDerWaalsContact OE1-CE 3.26Å; E51-K55 WeakPolarHBondContact OE1-CE 3.08Å; E51-K55 IonicContact OE1-NZ 2.62Å; E51-K55 PolarHBondContact OE1-NZ 3.18Å; K55-V58 PolarHBondContact O-N 2.83Å; K55-N59 WeakPolarHBondContact O-CB 3.39Å; K55-N59 PolarHBondContact O-N 3.38Å; K55-N59 VanDerWaalsContact O-N 3.09Å; K55-N59 PolarHBondContact O-ND2 3.11Å
56	S	95.5	Very high	95.4	Very high	52 Å²	52	48.6 Å²	48.6	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-45.1	175.2	-176.4	0	0	0	0	111.4	N52 A53 F54 N59 R60	N52-S56 VanDerWaalsContact O-CB 3.26Å; N52-S56 WeakPolarHBondContact O-CB 3.24Å; N52-S56 PolarHBondContact O-N 3.36Å; A53-S56 WeakPolarHBondContact O-CB 3.03Å; A53-S56 PolarHBondContact O-N 3.32Å; F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 2.85Å; S56-N59 PolarHBondContact O-N 2.74Å; S56-R60 WeakPolarHBondContact O-CG 3.5Å; S56-R60 PolarHBondContact O-N 2.78Å
57	F	96.1	Very high	95.4	Very high	10 Å²	10	47 Å²	47	4%	0.044	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-35.9	178	-66.3	-14.7	0	0	0	113.1	A11 I13 P36 N37 A53 F54 N59 R60 I63 I66	A11-F57 HydrophobicContact CB-CB 4.46Å; A11-F57 HydrophobicContact CB-CD2 3.7Å; A11-F57 HydrophobicContact CB-CE2 3.99Å; A11-F57 HydrophobicContact CB-CG 3.99Å; I13-F57 HydrophobicContact CD1-CD2 3.87Å; I13-F57 HydrophobicContact CD1-CE2 4.07Å; I13-F57 HydrophobicContact CG1-CD2 3.9Å; I13-F57 HydrophobicContact CG1-CE2 3.66Å; P36-F57 WeakPolarHBondContact O-CE1 3.47Å; N37-F57 VanDerWaalsContact C-CZ 3.5Å; A53-F57 WeakPolarHBondContact O-CG 3.45Å; A53-F57 PolarHBondContact O-N 2.78Å; F54-F57 PolarHBondContact O-N 2.93Å; F54-F57 VanDerWaalsContact O-N 3.16Å; F57-N59 VanDerWaalsContact C-N 3.32Å; F57-N59 PolarHBondContact O-N 2.77Å; F57-R60 PolarHBondContact O-N 3.41Å; F57-I63 HydrophobicContact CB-CD1 3.72Å; F57-I63 HydrophobicContact CD1-CD1 3.74Å; F57-I63 HydrophobicContact CG-CD1 3.86Å; F57-I66 HydrophobicContact CB-CD1 3.69Å; F57-I66 HydrophobicContact CB-CG1 4.12Å
58	V	95.6	Very high	95.5	Very high	25 Å²	25	43.8 Å²	43.8	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-36.1	174.6	168.9	0	0	0	0	112.2	F54 K55 R60 I66 H83 P88	F54-V58 HydrophobicContact CD1-CG2 4.24Å; F54-V58 HydrophobicContact CD2-CG2 4.47Å; F54-V58 HydrophobicContact CE1-CG2 3.81Å; F54-V58 HydrophobicContact CE2-CG2 4.07Å; F54-V58 HydrophobicContact CZ-CG2 3.72Å; F54-V58 WeakPolarHBondContact O-CG2 3.45Å; F54-V58 PolarHBondContact O-N 2.79Å; K55-V58 PolarHBondContact O-N 2.83Å; V58-R60 VanDerWaalsContact C-N 3.31Å; V58-I66 HydrophobicContact CG2-CD1 3.82Å; V58-H83 WeakPolarHBondContact CG1-ND1 3.5Å; V58-P88 HydrophobicContact CG2-CG 4.32Å
59	N	93.7	Very high	95.5	Very high	120 Å²	120	39 Å²	39	64%	0.642	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.9	-179.6	-71	-47.1	0	0	0	113.9	K55 S56 F57	K55-N59 WeakPolarHBondContact O-CB 3.39Å; K55-N59 PolarHBondContact O-N 3.38Å; K55-N59 VanDerWaalsContact O-N 3.09Å; K55-N59 PolarHBondContact O-ND2 3.11Å; S56-N59 PolarHBondContact O-N 2.74Å; F57-N59 VanDerWaalsContact C-N 3.32Å; F57-N59 PolarHBondContact O-N 2.77Å
60	R	92	Very high	95.4	Very high	26 Å²	26	35.7 Å²	35.7	10%	0.098	20%	0.195	C	C	.	.			trans	-85.9	111.6	179.8	-94.2	-179.9	72.4	172.1	4.9	110.4	P36 S56 F57 V58 D62 I63	P36-R60 PolarHBondContact O-NH1 3.49Å; P36-R60 VanDerWaalsContact O-NH1 3.14Å; S56-R60 WeakPolarHBondContact O-CG 3.5Å; S56-R60 PolarHBondContact O-N 2.78Å; F57-R60 PolarHBondContact O-N 3.41Å; V58-R60 VanDerWaalsContact C-N 3.31Å; R60-D62 VanDerWaalsContact CB-OD1 3.27Å; R60-D62 WeakPolarHBondContact CB-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 3.73Å; R60-D62 IonicContact CZ-OD2 3.55Å; R60-D62 IonicContact NE-OD1 2.94Å; R60-D62 PolarHBondContact NE-OD1 3.33Å; R60-D62 IonicContact NE-OD2 3.51Å; R60-D62 IonicContact NH2-OD1 3.66Å; R60-D62 IonicContact NH2-OD2 2.74Å; R60-D62 PolarHBondContact NH2-OD2 2.88Å; R60-D62 PolarHBondContact O-N 3.14Å; R60-D62 VanDerWaalsContact O-N 3.12Å; R60-I63 HydrophobicContact CB-CB 4.45Å; R60-I63 HydrophobicContact CB-CD1 3.73Å; R60-I63 HydrophobicContact CB-CG1 4.03Å; R60-I63 HydrophobicContact CG-CD1 4.33Å; R60-I63 PolarHBondContact O-N 2.81Å; R60-I63 VanDerWaalsContact O-N 3.15Å
61	D	90.2	Very high	95.3	Very high	144 Å²	144	38 Å²	38	77%	0.77	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.4	179.3	-69.3	-33.8	0	0	0	113	K8	K8-D61 PolarHBondContact NZ-O 3.21Å
62	D	91.7	Very high	95.2	Very high	54 Å²	54	37.4 Å²	37.4	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.7	179.8	62.4	-32.8	0	0	0	114	K8 L9 R60	K8-D62 CarbonylContact C-O 3.5Å; K8-D62 VanDerWaalsContact CA-O 3.29Å; K8-D62 WeakPolarHBondContact CA-O 3.45Å; L9-D62 WeakPolarHBondContact CD1-OD2 3.41Å; L9-D62 PolarHBondContact N-O 2.95Å; R60-D62 VanDerWaalsContact CB-OD1 3.27Å; R60-D62 WeakPolarHBondContact CB-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 3.73Å; R60-D62 IonicContact CZ-OD2 3.55Å; R60-D62 IonicContact NE-OD1 2.94Å; R60-D62 PolarHBondContact NE-OD1 3.33Å; R60-D62 IonicContact NE-OD2 3.51Å; R60-D62 IonicContact NH2-OD1 3.66Å; R60-D62 IonicContact NH2-OD2 2.74Å; R60-D62 PolarHBondContact NH2-OD2 2.88Å; R60-D62 PolarHBondContact O-N 3.14Å; R60-D62 VanDerWaalsContact O-N 3.12Å
63	I	94.4	Very high	95.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.8	-178.7	-64.7	171.9	0	0	0	110.5	L9 A11 F57 R60 V65 I66 P88	L9-I63 WeakPolarHBondContact O-CA 3.28Å; A11-I63 HydrophobicContact CB-CD1 3.73Å; A11-I63 HydrophobicContact CB-CG1 4.27Å; A11-I63 HydrophobicContact CB-CG2 3.93Å; F57-I63 HydrophobicContact CB-CD1 3.72Å; F57-I63 HydrophobicContact CD1-CD1 3.74Å; F57-I63 HydrophobicContact CG-CD1 3.86Å; R60-I63 HydrophobicContact CB-CB 4.45Å; R60-I63 HydrophobicContact CB-CD1 3.73Å; R60-I63 HydrophobicContact CB-CG1 4.03Å; R60-I63 HydrophobicContact CG-CD1 4.33Å; R60-I63 PolarHBondContact O-N 2.81Å; R60-I63 VanDerWaalsContact O-N 3.15Å; I63-V65 WeakPolarHBondContact CG2-O 3.5Å; I63-I66 HydrophobicContact CG2-CG1 3.85Å; I63-P88 HydrophobicContact CG2-CB 3.99Å
64	A	94.5	Very high	95	Very high	29 Å²	29	35.2 Å²	35.2	24%	0.24	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-32.7	173.9	0	0	0	0	0	113.2	K8 L9 P88 A89	K8-A64 HydrophobicContact CB-CB 3.43Å; K8-A64 VanDerWaalsContact CB-CB 3.43Å; K8-A64 HydrophobicContact CG-CB 3.99Å; L9-A64 PolarHBondContact O-N 3.28Å; A64-P88 CarbonylContact O-C 3.54Å; A64-P88 WeakPolarHBondContact O-CA 3.29Å; A64-A89 PolarHBondContact O-N 2.85Å
65	V	95.4	Very high	94.9	Very high	36 Å²	36	38.4 Å²	38.4	22%	0.218	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.5	-175.5	-178.1	0	0	0	0	108.9	I10 A11 I63 L67 A89 L91	I10-V65 CarbonylContact C-O 3.44Å; I10-V65 WeakPolarHBondContact CA-O 3.44Å; I10-V65 HydrophobicContact CG1-CB 4.32Å; I10-V65 HydrophobicContact CG2-CB 4.41Å; A11-V65 PolarHBondContact N-O 2.76Å; I63-V65 WeakPolarHBondContact CG2-O 3.5Å; V65-L67 HydrophobicContact CG1-CD2 3.79Å; V65-L67 HydrophobicContact CG1-CG 4.33Å; V65-A89 CarbonylContact C-O 3.5Å; V65-A89 WeakPolarHBondContact CA-O 3.43Å; V65-L91 HydrophobicContact CG1-CD1 3.79Å; V65-L91 HydrophobicContact CG1-CG 4.26Å
66	I	97	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.6	170.1	-60	170.4	0	0	0	106.8	A11 I13 F54 F57 V58 I63 P88 A89 V90 L91	A11-I66 HydrophobicContact CB-CG1 4.34Å; A11-I66 CarbonylContact O-C 3.53Å; A11-I66 WeakPolarHBondContact O-CA 3.32Å; I13-I66 HydrophobicContact CD1-CG2 4.45Å; F54-I66 HydrophobicContact CE2-CD1 4.35Å; F57-I66 HydrophobicContact CB-CD1 3.69Å; F57-I66 HydrophobicContact CB-CG1 4.12Å; V58-I66 HydrophobicContact CG2-CD1 3.82Å; I63-I66 HydrophobicContact CG2-CG1 3.85Å; I66-P88 HydrophobicContact CD1-CB 4.09Å; I66-P88 HydrophobicContact CD1-CG 3.6Å; I66-P88 HydrophobicContact CG1-CB 4.06Å; I66-P88 HydrophobicContact CG1-CG 4.14Å; I66-A89 PolarHBondContact N-O 2.91Å; I66-V90 HydrophobicContact CB-CG2 4.5Å; I66-V90 HydrophobicContact CD1-CG2 4.46Å; I66-V90 WeakPolarHBondContact O-CA 3.46Å; I66-L91 PolarHBondContact O-N 3.45Å
67	L	97.2	Very high	94.7	Very high	18 Å²	18	32.9 Å²	32.9	9%	0.094	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.8	170.4	-57.1	-178.6	0	0	0	108.3	I10 A11 V12 I13 F22 V65 L91 I93	I10-L67 HydrophobicContact CG2-CD1 3.78Å; I10-L67 HydrophobicContact CG2-CG 3.8Å; A11-L67 PolarHBondContact O-N 3.1Å; V12-L67 CarbonylContact C-O 3.55Å; V12-L67 WeakPolarHBondContact CA-O 3.47Å; V12-L67 HydrophobicContact CG2-CB 4.41Å; V12-L67 HydrophobicContact CG2-CD1 4.4Å; I13-L67 PolarHBondContact N-O 3.23Å; F22-L67 HydrophobicContact CD1-CD1 3.82Å; F22-L67 HydrophobicContact CD2-CD1 4.42Å; F22-L67 HydrophobicContact CE1-CD1 3.35Å; F22-L67 HydrophobicContact CE2-CD1 4.02Å; F22-L67 HydrophobicContact CG-CD1 4.34Å; F22-L67 HydrophobicContact CZ-CD1 3.48Å; F22-L67 VanDerWaalsContact CZ-CD1 3.48Å; V65-L67 HydrophobicContact CG1-CD2 3.79Å; V65-L67 HydrophobicContact CG1-CG 4.33Å; L67-L91 HydrophobicContact CD2-CB 3.93Å; L67-L91 HydrophobicContact CD2-CD1 3.97Å; L67-I93 HydrophobicContact CB-CD1 4.36Å
68	M	96.7	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.8	-179.1	-169.5	169.9	-174.6	0	0	110.7	I13 I50 Q70 I72 A73 I76 I80 L91 E92 I93	I13-M68 HydrophobicContact CB-CG 4.1Å; I13-M68 HydrophobicContact CG2-CE 4.08Å; I13-M68 HydrophobicContact CG2-CG 4.34Å; I13-M68 VanDerWaalsContact O-CA 3.25Å; I13-M68 WeakPolarHBondContact O-CA 3.31Å; I50-M68 HydrophobicContact CG2-CE 3.81Å; M68-Q70 PolarHBondContact O-N 3.01Å; M68-I72 HydrophobicContact CE-CB 3.88Å; M68-I72 HydrophobicContact CE-CG2 3.44Å; M68-I72 VanDerWaalsContact CE-CG2 3.44Å; M68-A73 HydrophobicContact CE-CB 4.27Å; M68-A73 HydrophobicContact CG-CB 4.17Å; M68-A73 HydrophobicContact SD-CB 3.93Å; M68-I76 HydrophobicContact CE-CD1 3.71Å; M68-I76 HydrophobicContact CE-CG1 3.8Å; M68-I76 HydrophobicContact SD-CD1 4.29Å; M68-I80 HydrophobicContact SD-CD1 3.78Å; M68-L91 PolarHBondContact N-O 2.88Å; M68-E92 CarbonylContact O-C 3.53Å; M68-E92 VanDerWaalsContact O-CA 3.29Å; M68-E92 WeakPolarHBondContact O-CA 3.44Å; M68-I93 WeakPolarHBondContact O-CG1 3.28Å; M68-I93 PolarHBondContact O-N 2.61Å
69	N	96.7	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.8	172.2	-66.4	125.3	0	0	0	109.9	I13 G14 D15 T18 H71 I72 A73 I93 P94 S95	I13-N69 PolarHBondContact O-N 3.32Å; I13-N69 VanDerWaalsContact O-N 3.12Å; G14-N69 WeakPolarHBondContact CA-OD1 3.42Å; D15-N69 PolarHBondContact N-OD1 3.13Å; T18-N69 WeakPolarHBondContact CG2-ND2 3.46Å; T18-N69 PolarHBondContact OG1-ND2 3.12Å; T18-N69 PolarHBondContact OG1-OD1 2.77Å; N69-H71 VanDerWaalsContact C-N 3.27Å; N69-H71 PolarHBondContact O-N 2.78Å; N69-I72 HydrophobicContact CB-CD1 3.88Å; N69-I72 HydrophobicContact CB-CG1 4Å; N69-I72 WeakPolarHBondContact O-CB 3.46Å; N69-I72 PolarHBondContact O-N 3.33Å; N69-A73 PolarHBondContact O-N 3.34Å; N69-I93 CarbonylContact C-O 3.55Å; N69-I93 VanDerWaalsContact CA-O 3.3Å; N69-I93 WeakPolarHBondContact CA-O 3.44Å; N69-P94 PolarHBondContact ND2-O 3.48Å; N69-S95 VanDerWaalsContact ND2-CB 3.32Å; N69-S95 WeakPolarHBondContact ND2-CB 3.29Å
70	Q	95.4	Very high	94.4	Very high	9 Å²	9	32 Å²	32	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-38.5	-175.2	-177.9	174.9	70.9	0	0	112.9	M68 I72 A73 D74 E92 I93 D101	M68-Q70 PolarHBondContact O-N 3.01Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 PolarHBondContact O-N 2.99Å; Q70-A73 WeakPolarHBondContact O-CB 3.43Å; Q70-A73 PolarHBondContact O-N 3.23Å; Q70-D74 PolarHBondContact O-N 3.12Å; Q70-E92 HydrophobicContact CB-CB 4.24Å; Q70-E92 HydrophobicContact CG-CB 4.49Å; Q70-E92 WeakPolarHBondContact CG-OE2 3.28Å; Q70-I93 PolarHBondContact N-O 3.17Å; Q70-D101 PolarHBondContact NE2-O 2.87Å
71	H	94.4	Very high	94.4	Very high	57 Å²	57	33.3 Å²	33.3	26%	0.264	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-28.7	178.7	73.2	-92.1	0	0	0	112.8	D15 N69 S95 H98	D15-H71 IonicContact OD2-CE1 3.2Å; N69-H71 VanDerWaalsContact C-N 3.27Å; N69-H71 PolarHBondContact O-N 2.78Å; H71-S95 PolarHBondContact CE1-OG 2.98Å; H71-H98 HydrophobicContact CB-CB 4.19Å; H71-H98 AromaticContact CG-CG 3.96Å; H71-H98 AromaticContact CG-ND1 3.95Å; H71-H98 AromaticContact ND1-CG 3.9Å; H71-H98 AromaticContact ND1-ND1 3.76Å
72	I	95.5	Very high	94.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-78.9	-39.5	174.2	-51.7	176	0	0	0	109.5	I13 V41 I50 M68 N69 Q70 D74 V75	I13-I72 HydrophobicContact CG2-CG2 4.3Å; V41-I72 HydrophobicContact CB-CD1 3.79Å; V41-I72 HydrophobicContact CG1-CD1 4.19Å; V41-I72 HydrophobicContact CG1-CG2 4.39Å; V41-I72 HydrophobicContact CG2-CD1 3.89Å; V41-I72 HydrophobicContact CG2-CG2 4.19Å; I50-I72 HydrophobicContact CD1-CG2 3.94Å; I50-I72 HydrophobicContact CG1-CG2 4.49Å; I50-I72 HydrophobicContact CG2-CG2 3.77Å; M68-I72 HydrophobicContact CE-CB 3.88Å; M68-I72 HydrophobicContact CE-CG2 3.44Å; M68-I72 VanDerWaalsContact CE-CG2 3.44Å; N69-I72 HydrophobicContact CB-CD1 3.88Å; N69-I72 HydrophobicContact CB-CG1 4Å; N69-I72 WeakPolarHBondContact O-CB 3.46Å; N69-I72 PolarHBondContact O-N 3.33Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 PolarHBondContact O-N 2.99Å; I72-D74 PolarHBondContact O-N 2.86Å; I72-V75 WeakPolarHBondContact O-CB 3.5Å; I72-V75 PolarHBondContact O-N 3.38Å; I72-V75 VanDerWaalsContact O-N 3.1Å
73	A	95.5	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-36.4	177.5	0	0	0	0	0	112.2	M68 N69 Q70 V75 I76 R77 I80 E92	M68-A73 HydrophobicContact CE-CB 4.27Å; M68-A73 HydrophobicContact CG-CB 4.17Å; M68-A73 HydrophobicContact SD-CB 3.93Å; N69-A73 PolarHBondContact O-N 3.34Å; Q70-A73 WeakPolarHBondContact O-CB 3.43Å; Q70-A73 PolarHBondContact O-N 3.23Å; A73-V75 PolarHBondContact O-N 2.9Å; A73-I76 CarbonylContact O-C 3.58Å; A73-I76 PolarHBondContact O-N 3.36Å; A73-R77 WeakPolarHBondContact O-CA 3.4Å; A73-R77 PolarHBondContact O-N 3.01Å; A73-I80 HydrophobicContact CB-CD1 3.47Å; A73-I80 VanDerWaalsContact CB-CD1 3.47Å; A73-E92 HydrophobicContact CB-CG 4.04Å
74	D	93.8	Very high	94.2	Very high	53 Å²	53	36.7 Å²	36.7	28%	0.283	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-56	-34.3	175.6	-81.3	-10.6	0	0	0	113.2	Q70 I72 R77 K104	Q70-D74 PolarHBondContact O-N 3.12Å; I72-D74 PolarHBondContact O-N 2.86Å; D74-R77 IonicContact OD1-CZ 3.68Å; D74-R77 IonicContact OD1-NE 3.77Å; D74-R77 IonicContact OD1-NH2 2.79Å; D74-R77 PolarHBondContact OD1-NH2 3.27Å; D74-K104 WeakPolarHBondContact OD2-CD 3.01Å; D74-K104 IonicContact OD2-NZ 2.69Å; D74-K104 PolarHBondContact OD2-NZ 3Å
75	V	94.2	Very high	94	Very high	70 Å²	70	42 Å²	42	42%	0.424	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-72.8	-31	-176.3	-170.8	0	0	0	0	112.1	V47 I72 A73	V47-V75 HydrophobicContact CB-CG1 4.16Å; V47-V75 HydrophobicContact CG1-CG1 3.68Å; V47-V75 HydrophobicContact CG2-CG1 3.48Å; V47-V75 VanDerWaalsContact CG2-CG1 3.48Å; I72-V75 WeakPolarHBondContact O-CB 3.5Å; I72-V75 PolarHBondContact O-N 3.38Å; I72-V75 VanDerWaalsContact O-N 3.1Å; A73-V75 PolarHBondContact O-N 2.9Å
76	I	95.3	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-116	28.9	179.1	62	154.8	0	0	0	112.3	V47 I50 E51 F54 M68 A73 Y78 A79 I80	V47-I76 HydrophobicContact CG1-CG2 3.93Å; I50-I76 HydrophobicContact CB-CG2 4.44Å; I50-I76 HydrophobicContact CG2-CD1 3.99Å; I50-I76 HydrophobicContact CG2-CG1 4.25Å; I50-I76 HydrophobicContact CG2-CG2 4.19Å; E51-I76 HydrophobicContact CB-CG2 4.07Å; F54-I76 HydrophobicContact CB-CD1 3.74Å; F54-I76 HydrophobicContact CD1-CD1 4.26Å; F54-I76 HydrophobicContact CD2-CD1 4.42Å; F54-I76 HydrophobicContact CG-CD1 3.89Å; M68-I76 HydrophobicContact CE-CD1 3.71Å; M68-I76 HydrophobicContact CE-CG1 3.8Å; M68-I76 HydrophobicContact SD-CD1 4.29Å; A73-I76 CarbonylContact O-C 3.58Å; A73-I76 PolarHBondContact O-N 3.36Å; I76-Y78 HydrophobicContact CB-CE1 4.44Å; I76-Y78 PolarHBondContact O-N 3.04Å; I76-A79 HydrophobicContact CB-CB 4.41Å; I76-A79 WeakPolarHBondContact O-CB 3.25Å; I76-A79 PolarHBondContact O-N 2.69Å; I76-I80 HydrophobicContact CD1-CD1 4.34Å; I76-I80 HydrophobicContact CD1-CG1 4.21Å; I76-I80 HydrophobicContact CG1-CD1 4.13Å; I76-I80 HydrophobicContact CG1-CG1 4.3Å; I76-I80 PolarHBondContact O-N 3.19Å
77	R	93	Very high	93.4	Very high	35 Å²	35	48.6 Å²	48.6	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-50.5	-37.4	-175.5	-176.6	62.9	64.3	-178	-1.8	112.9	A73 D74 A79 I80 D81 E92 K104	A73-R77 WeakPolarHBondContact O-CA 3.4Å; A73-R77 PolarHBondContact O-N 3.01Å; D74-R77 IonicContact OD1-CZ 3.68Å; D74-R77 IonicContact OD1-NE 3.77Å; D74-R77 IonicContact OD1-NH2 2.79Å; D74-R77 PolarHBondContact OD1-NH2 3.27Å; R77-A79 VanDerWaalsContact C-N 3.34Å; R77-A79 PolarHBondContact O-N 2.84Å; R77-I80 PolarHBondContact O-N 3.32Å; R77-D81 WeakPolarHBondContact O-CB 3.3Å; R77-D81 PolarHBondContact O-N 3.3Å; R77-E92 IonicContact CZ-OE1 2.77Å; R77-E92 IonicContact CZ-OE2 3.67Å; R77-E92 VanDerWaalsContact NH1-CD 3.3Å; R77-E92 IonicContact NH1-OE1 3.81Å; R77-E92 PolarHBondContact NH1-OE1 3.36Å; R77-E92 IonicContact NH1-OE2 2.81Å; R77-E92 PolarHBondContact NH1-OE2 3.15Å; R77-E92 IonicContact NH2-OE1 3.68Å; R77-E92 IonicContact NH2-OE2 3.45Å; R77-E92 PolarHBondContact NH2-OE2 3.21Å; R77-K104 PolarHBondContact NH1-O 2.94Å; R77-K104 PolarHBondContact NH2-O 2.99Å
78	Y	92.9	Very high	93.2	Very high	122 Å²	122	48 Å²	48	48%	0.478	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-40.2	176.8	62.5	-88.8	0	0	0	112.9	E51 I76 D82	E51-Y78 VanDerWaalsContact CD-OH 3.24Å; E51-Y78 HydrophobicContact CG-CE2 4.4Å; E51-Y78 PolarHBondContact OE2-OH 3.2Å; I76-Y78 HydrophobicContact CB-CE1 4.44Å; I76-Y78 PolarHBondContact O-N 3.04Å; Y78-D82 WeakPolarHBondContact O-CB 3.18Å; Y78-D82 PolarHBondContact O-N 2.81Å
79	A	94.2	Very high	93.1	Very high	10 Å²	10	49.8 Å²	49.8	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-73.6	-34.8	179.2	0	0	0	0	0	111.7	E51 F54 I76 R77 H83	E51-A79 HydrophobicContact CG-CB 4.15Å; F54-A79 HydrophobicContact CD1-CB 4.23Å; F54-A79 HydrophobicContact CE1-CB 4.42Å; F54-A79 WeakPolarHBondContact CE1-O 2.96Å; I76-A79 HydrophobicContact CB-CB 4.41Å; I76-A79 WeakPolarHBondContact O-CB 3.25Å; I76-A79 PolarHBondContact O-N 2.69Å; R77-A79 VanDerWaalsContact C-N 3.34Å; R77-A79 PolarHBondContact O-N 2.84Å; A79-H83 PolarHBondContact O-N 2.91Å
80	I	93.3	Very high	93	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-70.5	-44.8	176.9	-62	174.5	0	0	0	110.7	F54 M68 A73 I76 R77 D82 H83 V90	F54-I80 HydrophobicContact CE1-CG1 4.23Å; F54-I80 HydrophobicContact CE2-CG1 4.06Å; F54-I80 HydrophobicContact CZ-CB 4.38Å; F54-I80 HydrophobicContact CZ-CG1 3.88Å; M68-I80 HydrophobicContact SD-CD1 3.78Å; A73-I80 HydrophobicContact CB-CD1 3.47Å; A73-I80 VanDerWaalsContact CB-CD1 3.47Å; I76-I80 HydrophobicContact CD1-CD1 4.34Å; I76-I80 HydrophobicContact CD1-CG1 4.21Å; I76-I80 HydrophobicContact CG1-CD1 4.13Å; I76-I80 HydrophobicContact CG1-CG1 4.3Å; I76-I80 PolarHBondContact O-N 3.19Å; R77-I80 PolarHBondContact O-N 3.32Å; I80-D82 VanDerWaalsContact C-N 3.27Å; I80-D82 PolarHBondContact O-N 2.92Å; I80-H83 WeakPolarHBondContact O-CB 3.39Å; I80-H83 PolarHBondContact O-N 3.37Å; I80-H83 VanDerWaalsContact O-N 3.09Å; I80-V90 HydrophobicContact CG2-CG1 4.23Å
81	D	90.5	Very high	93	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-30.5	-179.5	-78.8	-6.9	0	0	0	112	R77 H83 R109 R110	R77-D81 WeakPolarHBondContact O-CB 3.3Å; R77-D81 PolarHBondContact O-N 3.3Å; D81-H83 VanDerWaalsContact C-N 3.29Å; D81-H83 PolarHBondContact O-N 3.32Å; D81-R109 IonicContact OD1-NH1 3.98Å; D81-R109 IonicContact OD2-NH1 3.18Å; D81-R109 PolarHBondContact OD2-NH1 3.42Å; D81-R110 PolarHBondContact O-NH2 3.14Å
82	D	91.9	Very high	93	Very high	135 Å²	135	51.5 Å²	51.5	72%	0.722	28%	0.278	S	S	*	.	H	α-helix	trans	-70.6	-21.9	174.3	-164	46.3	0	0	0	113	Y78 I80 V84	Y78-D82 WeakPolarHBondContact O-CB 3.18Å; Y78-D82 PolarHBondContact O-N 2.81Å; I80-D82 VanDerWaalsContact C-N 3.27Å; I80-D82 PolarHBondContact O-N 2.92Å; D82-V84 PolarHBondContact O-N 3.47Å; D82-V84 VanDerWaalsContact O-N 3.16Å
83	H	92.5	Very high	93	Very high	22 Å²	22	52.9 Å²	52.9	10%	0.102	29%	0.285	C	S	.	.			trans	-77.9	102.9	173.8	-177.7	62.4	0	0	0	111.2	F54 V58 A79 I80 D81 K85 P88 R110	F54-H83 HydrophobicContact CE1-CB 4.5Å; F54-H83 HydrophobicContact CZ-CB 4.3Å; V58-H83 WeakPolarHBondContact CG1-ND1 3.5Å; A79-H83 PolarHBondContact O-N 2.91Å; I80-H83 WeakPolarHBondContact O-CB 3.39Å; I80-H83 PolarHBondContact O-N 3.37Å; I80-H83 VanDerWaalsContact O-N 3.09Å; D81-H83 VanDerWaalsContact C-N 3.29Å; D81-H83 PolarHBondContact O-N 3.32Å; H83-K85 PolarHBondContact NE2-O 3.05Å; H83-P88 PolarHBondContact NE2-O 2.83Å; H83-R110 PolarHBondContact O-NH2 2.56Å
84	V	88.3	Confident	93	Very high	113 Å²	113	56.1 Å²	56.1	69%	0.685	31%	0.306	S	S	*	.			trans	-106.3	-6.4	-178.7	-63.9	0	0	0	0	114.1	D82	D82-V84 PolarHBondContact O-N 3.47Å; D82-V84 VanDerWaalsContact O-N 3.16Å
85	K	89.9	Confident	93.1	Very high	141 Å²	141	54.2 Å²	54.2	61%	0.613	30%	0.297	S	S	*	.			trans	-73.8	145.8	-179.7	-61.4	177.1	-176.5	171.9	0	110.2	H83 I87	H83-K85 PolarHBondContact NE2-O 3.05Å; K85-I87 VanDerWaalsContact C-N 3.27Å; K85-I87 PolarHBondContact O-N 3.43Å
86	S	88.4	Confident	93	Very high	109 Å²	109	57.9 Å²	57.9	76%	0.762	31%	0.307	S	S	*	.	S	Bend	trans	-69.1	-23.4	177.5	-46.9	0	0	0	0	113.8
87	I	91	Very high	92.8	Very high	66 Å²	66	63.6 Å²	63.6	34%	0.338	34%	0.338	S	S	.	.	S	Bend	trans	-131.1	131.1	179.5	-59.1	179	0	0	0	108.5	T2 K85	T2-I87 HydrophobicContact CG2-CD1 4.36Å; K85-I87 VanDerWaalsContact C-N 3.27Å; K85-I87 PolarHBondContact O-N 3.43Å
88	P	94.3	Very high	92.8	Very high	4 Å²	4	66.3 Å²	66.3	3%	0.026	35%	0.352	C	S	.	.	S	Bend	cis	-69.6	149	-5.5	28.3	-33.5	0	0	0	112.5	V58 I63 A64 I66 H83	V58-P88 HydrophobicContact CG2-CG 4.32Å; I63-P88 HydrophobicContact CG2-CB 3.99Å; A64-P88 CarbonylContact O-C 3.54Å; A64-P88 WeakPolarHBondContact O-CA 3.29Å; I66-P88 HydrophobicContact CD1-CB 4.09Å; I66-P88 HydrophobicContact CD1-CG 3.6Å; I66-P88 HydrophobicContact CG1-CB 4.06Å; I66-P88 HydrophobicContact CG1-CG 4.14Å; H83-P88 PolarHBondContact NE2-O 2.83Å
89	A	94.1	Very high	92.8	Very high	39 Å²	39	65.9 Å²	65.9	32%	0.322	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.6	170.3	0	0	0	0	0	109.2	A64 V65 I66	A64-A89 PolarHBondContact O-N 2.85Å; V65-A89 CarbonylContact C-O 3.5Å; V65-A89 WeakPolarHBondContact CA-O 3.43Å; I66-A89 PolarHBondContact N-O 2.91Å
90	V	94.9	Very high	92.7	Very high	16 Å²	16	69.4 Å²	69.4	10%	0.097	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.7	177.1	-178	0	0	0	0	108	F54 I66 I80 I107	F54-V90 HydrophobicContact CE2-CG1 4.04Å; F54-V90 HydrophobicContact CE2-CG2 3.77Å; F54-V90 HydrophobicContact CZ-CG2 3.96Å; I66-V90 HydrophobicContact CB-CG2 4.5Å; I66-V90 HydrophobicContact CD1-CG2 4.46Å; I66-V90 WeakPolarHBondContact O-CA 3.46Å; I80-V90 HydrophobicContact CG2-CG1 4.23Å; V90-I107 WeakPolarHBondContact O-CD1 3.36Å
91	L	94.7	Very high	92.5	Very high	74 Å²	74	72.2 Å²	72.2	39%	0.387	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121	-179.2	-64.3	176.6	0	0	0	110.1	V65 I66 L67 M68 I107	V65-L91 HydrophobicContact CG1-CD1 3.79Å; V65-L91 HydrophobicContact CG1-CG 4.26Å; I66-L91 PolarHBondContact O-N 3.45Å; L67-L91 HydrophobicContact CD2-CB 3.93Å; L67-L91 HydrophobicContact CD2-CD1 3.97Å; M68-L91 PolarHBondContact N-O 2.88Å; L91-I107 HydrophobicContact CD2-CD1 4.09Å
92	E	95.2	Very high	92.2	Very high	12 Å²	12	73.1 Å²	73.1	6%	0.056	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.9	175.6	-64.5	176.2	-128.1	0	0	109.5	M68 Q70 A73 R77 S106	M68-E92 CarbonylContact O-C 3.53Å; M68-E92 VanDerWaalsContact O-CA 3.29Å; M68-E92 WeakPolarHBondContact O-CA 3.44Å; Q70-E92 HydrophobicContact CB-CB 4.24Å; Q70-E92 HydrophobicContact CG-CB 4.49Å; Q70-E92 WeakPolarHBondContact CG-OE2 3.28Å; A73-E92 HydrophobicContact CB-CG 4.04Å; R77-E92 IonicContact CZ-OE1 2.77Å; R77-E92 IonicContact CZ-OE2 3.67Å; R77-E92 VanDerWaalsContact NH1-CD 3.3Å; R77-E92 IonicContact NH1-OE1 3.81Å; R77-E92 PolarHBondContact NH1-OE1 3.36Å; R77-E92 IonicContact NH1-OE2 2.81Å; R77-E92 PolarHBondContact NH1-OE2 3.15Å; R77-E92 IonicContact NH2-OE1 3.68Å; R77-E92 IonicContact NH2-OE2 3.45Å; R77-E92 PolarHBondContact NH2-OE2 3.21Å; E92-S106 PolarHBondContact OE1-N 3.09Å; E92-S106 VanDerWaalsContact OE1-N 3.15Å; E92-S106 PolarHBondContact OE1-OG 3.26Å
93	I	95.5	Very high	91.8	Very high	32 Å²	32	70.2 Å²	70.2	16%	0.164	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.3	-179	57.4	168.5	0	0	0	111.1	T18 F22 L67 M68 N69 Q70	T18-I93 HydrophobicContact CG2-CD1 3.69Å; F22-I93 HydrophobicContact CE2-CD1 3.43Å; F22-I93 VanDerWaalsContact CE2-CD1 3.43Å; F22-I93 HydrophobicContact CZ-CD1 3.85Å; L67-I93 HydrophobicContact CB-CD1 4.36Å; M68-I93 WeakPolarHBondContact O-CG1 3.28Å; M68-I93 PolarHBondContact O-N 2.61Å; N69-I93 CarbonylContact C-O 3.55Å; N69-I93 VanDerWaalsContact CA-O 3.3Å; N69-I93 WeakPolarHBondContact CA-O 3.44Å; Q70-I93 PolarHBondContact N-O 3.17Å
94	P	96.1	Very high	91.3	Very high	68 Å²	68	73.4 Å²	73.4	44%	0.442	41%	0.407	S	S	.	.			trans	-62.9	166	169.8	28.7	-35.2	0	0	0	110.8	N69	N69-P94 PolarHBondContact ND2-O 3.48Å
95	S	94.5	Very high	90.9	Very high	14 Å²	14	68.6 Å²	68.6	10%	0.098	38%	0.378	C	S	.	.			trans	-120.7	174.5	164.1	96.5	0	0	0	0	110.6	D15 N69 H71 D97 H98	D15-S95 WeakPolarHBondContact OD2-CB 3.42Å; D15-S95 PolarHBondContact OD2-OG 2.86Å; N69-S95 VanDerWaalsContact ND2-CB 3.32Å; N69-S95 WeakPolarHBondContact ND2-CB 3.29Å; H71-S95 PolarHBondContact CE1-OG 2.98Å; S95-D97 PolarHBondContact O-N 2.91Å; S95-H98 PolarHBondContact N-O 2.88Å; S95-H98 PolarHBondContact O-N 3.22Å; S95-H98 PolarHBondContact OG-ND1 3.38Å
96	K	91.8	Very high	90.2	Very high	147 Å²	147	62.2 Å²	62.2	64%	0.639	35%	0.351	S	S	*	.	S	Bend	trans	-54.6	-39.2	-177.4	-178.2	-179.3	174.5	-177.7	0	113	D17	D17-K96 HydrophobicContact CB-CD 4.28Å; D17-K96 IonicContact OD1-NZ 3.37Å; D17-K96 PolarHBondContact OD1-NZ 3.47Å; D17-K96 WeakPolarHBondContact OD2-CD 3.42Å; D17-K96 IonicContact OD2-NZ 2.84Å; D17-K96 PolarHBondContact OD2-NZ 2.89Å
97	D	92.1	Very high	89.8	Confident	120 Å²	120	60.8 Å²	60.8	64%	0.642	33%	0.334	S	S	*	.	S	Bend	trans	-101.6	-11.4	-177	-58.9	-51.2	0	0	0	113.3	S95	S95-D97 PolarHBondContact O-N 2.91Å
98	H	92.9	Very high	89.2	Confident	92 Å²	92	60.9 Å²	60.9	43%	0.426	34%	0.335	S	S	.	.	S	Bend	trans	-126.2	102.3	-173.3	-61.7	90.5	0	0	0	111.1	H71 S95	H71-H98 HydrophobicContact CB-CB 4.19Å; H71-H98 AromaticContact CG-CG 3.96Å; H71-H98 AromaticContact CG-ND1 3.95Å; H71-H98 AromaticContact ND1-CG 3.9Å; H71-H98 AromaticContact ND1-ND1 3.76Å; S95-H98 PolarHBondContact N-O 2.88Å; S95-H98 PolarHBondContact O-N 3.22Å; S95-H98 PolarHBondContact OG-ND1 3.38Å
99	P	92.9	Very high	88.3	Confident	113 Å²	113	67 Å²	67	73%	0.734	36%	0.358	S	S	*	.			trans	-66.3	158.4	177.3	29.2	-34.8	0	0	0	111.5
100	Y	91.9	Very high	87.5	Confident	84 Å²	84	71.6 Å²	71.6	33%	0.329	37%	0.367	S	S	.	.			trans	-73.7	131	178.7	177.9	-98.3	0	0	0	111.5	P102 D105 L108	Y100-P102 HydrophobicContact CD1-CG 4.07Å; Y100-P102 HydrophobicContact CE1-CB 4.11Å; Y100-P102 HydrophobicContact CE1-CG 3.81Å; Y100-D105 HydrophobicContact CE2-CB 4.25Å; Y100-D105 VanDerWaalsContact OH-CB 3.29Å; Y100-D105 WeakPolarHBondContact OH-CB 3.13Å; Y100-D105 VanDerWaalsContact OH-CG 3.32Å; Y100-D105 PolarHBondContact OH-OD2 3.22Å; Y100-L108 HydrophobicContact CE1-CD1 4.42Å; Y100-L108 VanDerWaalsContact OH-CD1 3.29Å; Y100-L108 WeakPolarHBondContact OH-CD1 3.32Å
101	D	89.5	Confident	86.7	Confident	63 Å²	63	72 Å²	72	34%	0.337	37%	0.372	S	S	.	.			trans	-109.8	107.9	173.2	-177.4	-5	0	0	0	110.3	Q70 A103 K104	Q70-D101 PolarHBondContact NE2-O 2.87Å; D101-A103 PolarHBondContact O-N 2.9Å; D101-A103 VanDerWaalsContact O-N 3.14Å; D101-A103 VanDerWaalsContact OD1-CB 3.29Å; D101-A103 WeakPolarHBondContact OD1-CB 3.45Å; D101-A103 PolarHBondContact OD1-N 3.41Å; D101-K104 HydrophobicContact CB-CD 4.13Å; D101-K104 HydrophobicContact CB-CG 4.27Å; D101-K104 PolarHBondContact O-N 3.43Å
102	P	84.5	Confident	85.5	Confident	71 Å²	71	77.1 Å²	77.1	46%	0.461	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	178.3	-24	32.9	0	0	0	114.4	Y100 K104 L108	Y100-P102 HydrophobicContact CD1-CG 4.07Å; Y100-P102 HydrophobicContact CE1-CB 4.11Å; Y100-P102 HydrophobicContact CE1-CG 3.81Å; P102-K104 VanDerWaalsContact C-N 3.26Å; P102-K104 PolarHBondContact O-N 2.79Å; P102-L108 HydrophobicContact CB-CD1 3.68Å
103	A	82.7	Confident	84.2	Confident	74 Å²	74	80.3 Å²	80.3	61%	0.612	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.7	-177.2	0	0	0	0	0	112.9	D101	D101-A103 PolarHBondContact O-N 2.9Å; D101-A103 VanDerWaalsContact O-N 3.14Å; D101-A103 VanDerWaalsContact OD1-CB 3.29Å; D101-A103 WeakPolarHBondContact OD1-CB 3.45Å; D101-A103 PolarHBondContact OD1-N 3.41Å
104	K	82	Confident	83.2	Confident	89 Å²	89	85.8 Å²	85.8	39%	0.387	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-25.6	-177	-66.2	-178.4	172.9	-167.7	0	113.6	D74 R77 D101 P102 S106	D74-K104 WeakPolarHBondContact OD2-CD 3.01Å; D74-K104 IonicContact OD2-NZ 2.69Å; D74-K104 PolarHBondContact OD2-NZ 3Å; R77-K104 PolarHBondContact NH1-O 2.94Å; R77-K104 PolarHBondContact NH2-O 2.99Å; D101-K104 HydrophobicContact CB-CD 4.13Å; D101-K104 HydrophobicContact CB-CG 4.27Å; D101-K104 PolarHBondContact O-N 3.43Å; P102-K104 VanDerWaalsContact C-N 3.26Å; P102-K104 PolarHBondContact O-N 2.79Å; K104-S106 PolarHBondContact O-N 3.45Å
105	D	80.3	Confident	81.7	Confident	12 Å²	12	88.2 Å²	88.2	6%	0.064	46%	0.457	C	S	.	.			trans	-62.8	126.4	-175.3	-170.7	-32	0	0	0	112.1	Y100 I107 L108 R109	Y100-D105 HydrophobicContact CE2-CB 4.25Å; Y100-D105 VanDerWaalsContact OH-CB 3.29Å; Y100-D105 WeakPolarHBondContact OH-CB 3.13Å; Y100-D105 VanDerWaalsContact OH-CG 3.32Å; Y100-D105 PolarHBondContact OH-OD2 3.22Å; D105-I107 VanDerWaalsContact C-N 3.27Å; D105-I107 PolarHBondContact O-N 3.02Å; D105-I107 WeakPolarHBondContact OD1-CB 3.2Å; D105-I107 PolarHBondContact OD1-N 3.5Å; D105-L108 HydrophobicContact CB-CB 4.27Å; D105-L108 HydrophobicContact CB-CD1 4.37Å; D105-L108 HydrophobicContact CB-CG 4.45Å; D105-L108 PolarHBondContact O-N 2.95Å; D105-R109 WeakPolarHBondContact O-CB 3.48Å; D105-R109 VanDerWaalsContact O-CG 3.28Å; D105-R109 WeakPolarHBondContact O-CG 3.34Å; D105-R109 PolarHBondContact O-N 3.43Å
106	S	76	Confident	80.1	Confident	7 Å²	7	91.4 Å²	91.4	5%	0.049	47%	0.473	C	S	.	.	H	α-helix	trans	-59.4	-35.1	179.5	59.4	0	0	0	0	113.2	E92 K104 R110	E92-S106 PolarHBondContact OE1-N 3.09Å; E92-S106 VanDerWaalsContact OE1-N 3.15Å; E92-S106 PolarHBondContact OE1-OG 3.26Å; K104-S106 PolarHBondContact O-N 3.45Å; S106-R110 VanDerWaalsContact O-CG 3.28Å; S106-R110 WeakPolarHBondContact O-CG 3.29Å; S106-R110 PolarHBondContact O-N 2.92Å; S106-R110 VanDerWaalsContact O-N 3.11Å
107	I	78.3	Confident	78.6	Confident	79 Å²	79	90.2 Å²	90.2	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-70.3	-48.6	179.9	-63.2	173.3	0	0	0	110	V90 L91 D105 R109 R110 A111	V90-I107 WeakPolarHBondContact O-CD1 3.36Å; L91-I107 HydrophobicContact CD2-CD1 4.09Å; D105-I107 VanDerWaalsContact C-N 3.27Å; D105-I107 PolarHBondContact O-N 3.02Å; D105-I107 WeakPolarHBondContact OD1-CB 3.2Å; D105-I107 PolarHBondContact OD1-N 3.5Å; I107-R109 VanDerWaalsContact C-N 3.33Å; I107-R109 PolarHBondContact O-N 3.21Å; I107-R110 PolarHBondContact O-N 3.14Å; I107-R110 VanDerWaalsContact O-N 3.14Å; I107-A111 WeakPolarHBondContact O-CB 3.34Å; I107-A111 PolarHBondContact O-N 3.15Å
108	L	78.4	Confident	77.2	Confident	69 Å²	69	90.6 Å²	90.6	36%	0.361	48%	0.476	S	S	.	.	H	α-helix	trans	-67.1	-35.4	178.8	-72.9	176.5	0	0	0	111.8	Y100 P102 D105 R110 A111 K112	Y100-L108 HydrophobicContact CE1-CD1 4.42Å; Y100-L108 VanDerWaalsContact OH-CD1 3.29Å; Y100-L108 WeakPolarHBondContact OH-CD1 3.32Å; P102-L108 HydrophobicContact CB-CD1 3.68Å; D105-L108 HydrophobicContact CB-CB 4.27Å; D105-L108 HydrophobicContact CB-CD1 4.37Å; D105-L108 HydrophobicContact CB-CG 4.45Å; D105-L108 PolarHBondContact O-N 2.95Å; L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 PolarHBondContact O-N 2.83Å; L108-A111 CarbonylContact O-C 3.53Å; L108-A111 PolarHBondContact O-N 3.49Å; L108-K112 WeakPolarHBondContact O-CB 3.47Å; L108-K112 PolarHBondContact O-N 3.06Å
109	R	76.7	Confident	75.7	Confident	133 Å²	133	91.3 Å²	91.3	50%	0.502	48%	0.483	S	S	.	.	H	α-helix	trans	-59.5	-39.1	171.3	-76.2	178.1	67.1	-144.5	-1	112.1	D81 D105 I107 K112	D81-R109 IonicContact OD1-NH1 3.98Å; D81-R109 IonicContact OD2-NH1 3.18Å; D81-R109 PolarHBondContact OD2-NH1 3.42Å; D105-R109 WeakPolarHBondContact O-CB 3.48Å; D105-R109 VanDerWaalsContact O-CG 3.28Å; D105-R109 WeakPolarHBondContact O-CG 3.34Å; D105-R109 PolarHBondContact O-N 3.43Å; I107-R109 VanDerWaalsContact C-N 3.33Å; I107-R109 PolarHBondContact O-N 3.21Å; R109-K112 WeakPolarHBondContact O-CB 3.25Å
110	R	77.1	Confident	74.3	Confident	135 Å²	135	93.4 Å²	93.4	51%	0.509	48%	0.481	S	S	.	.	H	α-helix	trans	-73	-33.3	175.4	-71	171.4	-177.5	178.7	2.8	112.4	D81 H83 S106 I107 L108 K112	D81-R110 PolarHBondContact O-NH2 3.14Å; H83-R110 PolarHBondContact O-NH2 2.56Å; S106-R110 VanDerWaalsContact O-CG 3.28Å; S106-R110 WeakPolarHBondContact O-CG 3.29Å; S106-R110 PolarHBondContact O-N 2.92Å; S106-R110 VanDerWaalsContact O-N 3.11Å; I107-R110 PolarHBondContact O-N 3.14Å; I107-R110 VanDerWaalsContact O-N 3.14Å; L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 PolarHBondContact O-N 2.83Å; R110-K112 VanDerWaalsContact C-N 3.34Å
111	A	77.8	Confident	72.3	Confident	24 Å²	24	102.5 Å²	102.5	20%	0.198	52%	0.515	C	S	.	.	H	α-helix	trans	-79.7	-14.7	176.6	0	0	0	0	0	113.6	I107 L108 G113 M114 F115	I107-A111 WeakPolarHBondContact O-CB 3.34Å; I107-A111 PolarHBondContact O-N 3.15Å; L108-A111 CarbonylContact O-C 3.53Å; L108-A111 PolarHBondContact O-N 3.49Å; A111-G113 PolarHBondContact O-N 3.5Å; A111-M114 WeakPolarHBondContact O-CB 3.29Å; A111-M114 PolarHBondContact O-N 2.89Å; A111-F115 HydrophobicContact CB-CD2 4.4Å; A111-F115 PolarHBondContact O-N 2.89Å
112	K	69	Low	71.4	Confident	182 Å²	182	104.5 Å²	104.5	79%	0.791	52%	0.524	S	S	*	.	B	Isolated β-bridge	trans	-61.9	109.5	-179.3	-165.6	173.7	-176.5	176.1	0	109.9	L108 R109 R110	L108-K112 WeakPolarHBondContact O-CB 3.47Å; L108-K112 PolarHBondContact O-N 3.06Å; R109-K112 WeakPolarHBondContact O-CB 3.25Å; R110-K112 VanDerWaalsContact C-N 3.34Å
113	G	68.9	Low	70.8	Confident	78 Å²	78	106.3 Å²	106.3	80%	0.804	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.9	-17.6	-173.2	0	0	0	0	0	114.2	A111	A111-G113 PolarHBondContact O-N 3.5Å
114	M	72.9	Confident	70.1	Confident	148 Å²	148	108.1 Å²	108.1	73%	0.729	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-26.7	168.4	-62.5	-175.4	71.6	0	0	112.4	A111	A111-M114 WeakPolarHBondContact O-CB 3.29Å; A111-M114 PolarHBondContact O-N 2.89Å
115	F	64.9	Low	69.4	Low	119 Å²	119	109.2 Å²	109.2	52%	0.522	53%	0.53	S	S	.	.	B	Isolated β-bridge	trans	-136	139.6	179.9	-61.8	-84.2	0	0	0	109.8	A111 F120	A111-F115 HydrophobicContact CB-CD2 4.4Å; A111-F115 PolarHBondContact O-N 2.89Å; F115-F120 HydrophobicContact CB-CE2 4.08Å; F115-F120 HydrophobicContact CD1-CE2 4.48Å; F115-F120 HydrophobicContact CG-CE2 4.41Å
116	N	60.8	Low	68.7	Low	81 Å²	81	115.3 Å²	115.3	43%	0.433	56%	0.559	S	S	.	*			trans	-85.7	140.5	169.2	-170	1.1	0	0	0	108.1	E118 D119	N116-E118 PolarHBondContact O-N 3.37Å; N116-E118 PolarHBondContact OD1-N 3.3Å; N116-D119 WeakPolarHBondContact CB-OD2 3.33Å; N116-D119 PolarHBondContact N-OD2 2.84Å; N116-D119 WeakPolarHBondContact O-CB 3.08Å; N116-D119 PolarHBondContact O-N 3.24Å
117	T	61.4	Low	68.2	Low	122 Å²	122	122.5 Å²	122.5	75%	0.748	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-61.1	-16.6	174.6	46.7	0	0	0	0	112.5	D119	T117-D119 VanDerWaalsContact C-N 3.34Å
118	E	62	Low	67.5	Low	128 Å²	128	125.6 Å²	125.6	60%	0.598	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-73.7	-20.3	171.1	-60.3	-161.8	141.7	0	0	113.9	N116 F120 R121	N116-E118 PolarHBondContact O-N 3.37Å; N116-E118 PolarHBondContact OD1-N 3.3Å; E118-F120 PolarHBondContact O-N 3.44Å; E118-F120 VanDerWaalsContact O-N 3.16Å; E118-R121 PolarHBondContact O-N 3.16Å
119	D	62.2	Low	66.7	Low	107 Å²	107	129.9 Å²	129.9	57%	0.572	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-71.4	-7.7	179	-60.2	-37.4	0	0	0	112.6	N116 T117	N116-D119 WeakPolarHBondContact CB-OD2 3.33Å; N116-D119 PolarHBondContact N-OD2 2.84Å; N116-D119 WeakPolarHBondContact O-CB 3.08Å; N116-D119 PolarHBondContact O-N 3.24Å; T117-D119 VanDerWaalsContact C-N 3.34Å
120	F	62.7	Low	65.8	Low	157 Å²	157	129.7 Å²	129.7	69%	0.689	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-113.4	12.6	-177.4	-68	-81.2	0	0	0	114.1	F115 E118	F115-F120 HydrophobicContact CB-CE2 4.08Å; F115-F120 HydrophobicContact CD1-CE2 4.48Å; F115-F120 HydrophobicContact CG-CE2 4.41Å; E118-F120 PolarHBondContact O-N 3.44Å; E118-F120 VanDerWaalsContact O-N 3.16Å
121	R	50.5	Low	64.8	Low	275 Å²	275	129.2 Å²	129.2	100%	1.038	65%	0.648	S	S	*	*			trans	-100.6	0	168.4	-81.9	-172.7	173.1	146.8	-0.9	111.2	E118	E118-R121 PolarHBondContact O-N 3.16Å

Retrieved 121 of 121 residues in 67.5 ms (Link to these results)

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