A0A077YYF9_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 95 aa.

						>A0A077YYF9_TRITR|A0A077YYF9
MLRFPLSVALRYCTTSASEQATIYVTSLPWISGKGEHFYILIDHFRQFGPIASVYLPYNEKSGFSRGYALVRFRRSSDAEKALQGLHEIDGRQVG
					

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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	42.7	Very low	39.9	Very low	237 Å²	237	144.2 Å²	144.2	100%	1.167	72%	0.722	S	S	*	*				0	94.9	0	-76.4	179.7	176.7	0	0	108.2	R3	M1-R3 PolarHBondContact O-N 3.4Å
2	L	32.4	Very low	40.4	Very low	162 Å²	162	141.9 Å²	141.9	85%	0.848	70%	0.7	S	S	*	*			trans	-86.7	100.8	174.1	-77.8	160.1	0	0	0	107.8	F4	L2-F4 PolarHBondContact O-N 3.47Å
3	R	33.8	Very low	41.2	Very low	239 Å²	239	138.2 Å²	138.2	90%	0.902	70%	0.695	S	S	*	*			trans	-81.5	107.9	168.2	-77.9	-173.4	173	-150.5	-0.8	107.5	M1	M1-R3 PolarHBondContact O-N 3.4Å
4	F	34.2	Very low	41.9	Very low	177 Å²	177	135.5 Å²	135.5	78%	0.776	69%	0.689	S	S	*	*			trans	-74.5	129.3	163.9	-69.4	-85.1	0	0	0	108.6	L2 L6	L2-F4 PolarHBondContact O-N 3.47Å; F4-L6 PolarHBondContact O-N 3.21Å
5	P	44.6	Very low	42.6	Very low	95 Å²	95	132.2 Å²	132.2	62%	0.617	68%	0.678	S	S	*	*			trans	-80.4	102.3	168.8	30.1	-27.2	0	0	0	108.9	S7	P5-S7 PolarHBondContact O-N 3.5Å
6	L	34.3	Very low	43.6	Very low	161 Å²	161	132.1 Å²	132.1	84%	0.843	69%	0.693	S	S	*	*			trans	-73.8	110.6	153.7	-75.1	163.2	0	0	0	107	F4	F4-L6 PolarHBondContact O-N 3.21Å
7	S	38.1	Very low	44.9	Very low	89 Å²	89	130.4 Å²	130.4	62%	0.622	70%	0.702	S	S	*	*			trans	168.3	79.4	140.5	-75.7	0	0	0	0	111	P5 T26 G95	P5-S7 PolarHBondContact O-N 3.5Å; S7-T26 PolarHBondContact O-OG1 3.06Å; S7-G95 WeakPolarHBondContact O-CA 3.48Å
8	V	41	Very low	46	Very low	58 Å²	58	125.3 Å²	125.3	35%	0.352	68%	0.679	S	S	.	*			trans	-117.9	104.3	141.3	73.7	0	0	0	0	106.6	L10 Y24 G95	V8-L10 HydrophobicContact CG1-CD1 4.37Å; V8-L10 HydrophobicContact CG1-CG 4.47Å; V8-L10 HydrophobicContact CG2-CG 4.44Å; V8-L10 PolarHBondContact O-N 3.28Å; V8-Y24 WeakPolarHBondContact CG2-O 3.41Å; V8-G95 VanDerWaalsContact CB-C 3.43Å; V8-G95 WeakPolarHBondContact CB-OXT 3.45Å; V8-G95 WeakPolarHBondContact CG2-O 3.42Å; V8-G95 WeakPolarHBondContact CG2-OXT 3.02Å
9	A	43.3	Very low	47.9	Very low	73 Å²	73	125.9 Å²	125.9	60%	0.603	68%	0.677	S	S	*	*			trans	-84.1	94.2	176.2	0	0	0	0	0	108.1	R11	A9-R11 PolarHBondContact O-N 3.22Å
10	L	45	Very low	50	Low	67 Å²	67	122.1 Å²	122.1	35%	0.351	65%	0.654	S	S	.	*			trans	-73.8	112.7	-179.9	-88.3	160.7	0	0	0	111.9	V8 Y12 L83	V8-L10 HydrophobicContact CG1-CD1 4.37Å; V8-L10 HydrophobicContact CG1-CG 4.47Å; V8-L10 HydrophobicContact CG2-CG 4.44Å; V8-L10 PolarHBondContact O-N 3.28Å; L10-Y12 HydrophobicContact CB-CD2 4.19Å; L10-Y12 HydrophobicContact CB-CE2 4.34Å; L10-Y12 HydrophobicContact CD1-CE2 3.89Å; L10-Y12 HydrophobicContact CD2-CD2 4.04Å; L10-Y12 HydrophobicContact CD2-CE2 3.85Å; L10-Y12 HydrophobicContact CG-CE2 4.25Å; L10-L83 HydrophobicContact CD1-CB 4.35Å; L10-L83 HydrophobicContact CD1-CD1 3.82Å; L10-L83 HydrophobicContact CD1-CD2 3.94Å; L10-L83 HydrophobicContact CD1-CG 4.22Å; L10-L83 HydrophobicContact CD2-CD1 3.32Å; L10-L83 HydrophobicContact CD2-CD2 3.54Å; L10-L83 HydrophobicContact CD2-CG 4.02Å; L10-L83 HydrophobicContact CG-CD1 4.16Å; L10-L83 HydrophobicContact CG-CD2 4.04Å
11	R	49.4	Very low	51.9	Low	228 Å²	228	116.5 Å²	116.5	86%	0.86	63%	0.625	S	S	*	*			trans	-99.1	96.1	152.1	-78.5	-170.7	-172.3	-102.6	2	108.4	A9 C13	A9-R11 PolarHBondContact O-N 3.22Å; R11-C13 PolarHBondContact O-N 3.21Å
12	Y	46	Very low	54.2	Low	117 Å²	117	106.8 Å²	106.8	46%	0.459	58%	0.579	S	S	.	*			trans	-68.6	116.5	163	-82.6	-88.4	0	0	0	108.7	L10 E80 L83	L10-Y12 HydrophobicContact CB-CD2 4.19Å; L10-Y12 HydrophobicContact CB-CE2 4.34Å; L10-Y12 HydrophobicContact CD1-CE2 3.89Å; L10-Y12 HydrophobicContact CD2-CD2 4.04Å; L10-Y12 HydrophobicContact CD2-CE2 3.85Å; L10-Y12 HydrophobicContact CG-CE2 4.25Å; Y12-E80 HydrophobicContact CE1-CG 4.49Å; Y12-L83 HydrophobicContact CE1-CD1 3.82Å; Y12-L83 HydrophobicContact CE2-CD1 3.78Å; Y12-L83 WeakPolarHBondContact OH-CD1 3.08Å
13	C	51.2	Low	57	Low	94 Å²	94	99.2 Å²	99.2	64%	0.635	54%	0.539	S	S	*	.			trans	-119.6	95.1	163.1	-161.2	0	0	0	0	107.1	R11	R11-C13 PolarHBondContact O-N 3.21Å
14	T	50	Low	59.8	Low	100 Å²	100	91.3 Å²	91.3	61%	0.613	51%	0.51	S	S	*	.			trans	-74	126.5	162.7	170.2	0	0	0	0	106.8	S16	T14-S16 PolarHBondContact O-N 3.22Å
15	T	53.7	Low	62.5	Low	86 Å²	86	82.9 Å²	82.9	53%	0.528	47%	0.473	S	S	.	.			trans	-82.6	115.3	169	-27.3	0	0	0	0	104.6	A17 S18	T15-A17 PolarHBondContact O-N 3.32Å; T15-S18 PolarHBondContact O-N 2.7Å; T15-S18 VanDerWaalsContact O-O 3.09Å
16	S	58.7	Low	64.6	Low	130 Å²	130	79.5 Å²	79.5	91%	0.909	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-9.3	-168.7	56.5	0	0	0	0	116.4	T14	T14-S16 PolarHBondContact O-N 3.22Å
17	A	64.2	Low	67	Low	103 Å²	103	75.8 Å²	75.8	85%	0.851	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.4	175.5	0	0	0	0	0	114.6	T15	T15-A17 PolarHBondContact O-N 3.32Å
18	S	66	Low	69.1	Low	40 Å²	40	72 Å²	72	28%	0.28	41%	0.411	S	S	.	.			trans	-132.5	129.3	-173.2	-170.7	0	0	0	0	110.3	T15 Q20	T15-S18 PolarHBondContact O-N 2.7Å; T15-S18 VanDerWaalsContact O-O 3.09Å; S18-Q20 PolarHBondContact O-N 2.58Å; S18-Q20 WeakPolarHBondContact OG-CB 3.48Å; S18-Q20 VanDerWaalsContact OG-CD 3.27Å; S18-Q20 WeakPolarHBondContact OG-CG 3.29Å; S18-Q20 PolarHBondContact OG-NE2 3.09Å
19	E	82.2	Confident	70.7	Confident	137 Å²	137	69.6 Å²	69.6	64%	0.64	40%	0.396	S	S	*	.	S	Bend	trans	-63.5	2.4	173.8	-148.1	179.7	179.6	0	0	113	R75 S76	E19-R75 CarbonylContact O-C 3.59Å; E19-R75 VanDerWaalsContact O-C 3.29Å; E19-R75 VanDerWaalsContact O-CA 3.27Å; E19-R75 WeakPolarHBondContact O-CA 2.93Å; E19-S76 PolarHBondContact O-N 2.88Å
20	Q	88.3	Confident	72.2	Confident	49 Å²	49	74.4 Å²	74.4	23%	0.229	40%	0.399	C	S	.	.			trans	-72.2	142	176.7	-65.9	178.6	21.1	0	0	111.6	S18 R72 F73	S18-Q20 PolarHBondContact O-N 2.58Å; S18-Q20 WeakPolarHBondContact OG-CB 3.48Å; S18-Q20 VanDerWaalsContact OG-CD 3.27Å; S18-Q20 WeakPolarHBondContact OG-CG 3.29Å; S18-Q20 PolarHBondContact OG-NE2 3.09Å; Q20-R72 HydrophobicContact CB-CG 4.32Å; Q20-R72 VanDerWaalsContact OE1-CZ 3.29Å; Q20-F73 VanDerWaalsContact CA-O 3.29Å; Q20-F73 WeakPolarHBondContact CA-O 3.36Å; Q20-F73 WeakPolarHBondContact CB-O 3.26Å
21	A	90.6	Very high	73.5	Confident	4 Å²	4	71.2 Å²	71.2	3%	0.033	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.9	171.1	0	0	0	0	0	110	R72 F73 A79	A21-R72 CarbonylContact O-C 3.44Å; A21-R72 WeakPolarHBondContact O-CA 3.41Å; A21-F73 PolarHBondContact N-O 3.26Å; A21-F73 PolarHBondContact O-N 2.95Å; A21-A79 HydrophobicContact CB-CB 3.58Å
22	T	91.2	Very high	74.6	Confident	34 Å²	34	61.8 Å²	61.8	21%	0.209	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.8	178.4	-51.7	0	0	0	0	109.3	L70 V71 R72	T22-L70 HydrophobicContact CG2-CB 3.83Å; T22-L70 HydrophobicContact CG2-CD2 3.99Å; T22-L70 HydrophobicContact CG2-CG 4.46Å; T22-V71 CarbonylContact C-O 3.57Å; T22-V71 WeakPolarHBondContact CA-O 3.26Å; T22-R72 HydrophobicContact CG2-CB 4.29Å; T22-R72 WeakPolarHBondContact OG1-CD 2.94Å; T22-R72 VanDerWaalsContact OG1-CG 3.31Å; T22-R72 WeakPolarHBondContact OG1-CG 3.46Å
23	I	92	Very high	75.5	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	147.3	170.2	67.4	166.1	0	0	0	109.8	V25 F45 L70 V71 F73 A79 A82 L83	I23-V25 HydrophobicContact CD1-CG2 3.91Å; I23-V25 HydrophobicContact CG1-CG2 4.14Å; I23-F45 HydrophobicContact CD1-CD1 3.64Å; I23-F45 HydrophobicContact CD1-CE1 3.33Å; I23-F45 HydrophobicContact CD1-CG 4.47Å; I23-F45 HydrophobicContact CD1-CZ 3.98Å; I23-L70 WeakPolarHBondContact O-CA 3.39Å; I23-V71 HydrophobicContact CD1-CB 4.13Å; I23-V71 HydrophobicContact CG1-CB 3.69Å; I23-V71 HydrophobicContact CG1-CG1 4.46Å; I23-V71 WeakPolarHBondContact CG1-O 3.46Å; I23-V71 PolarHBondContact N-O 3.03Å; I23-V71 PolarHBondContact O-N 3.45Å; I23-F73 HydrophobicContact CD1-CE2 3.78Å; I23-F73 HydrophobicContact CG1-CE2 3.98Å; I23-F73 HydrophobicContact CG2-CD2 4.37Å; I23-F73 HydrophobicContact CG2-CE2 4.29Å; I23-A79 HydrophobicContact CG2-CB 3.69Å; I23-A82 HydrophobicContact CD1-CB 4.04Å; I23-L83 HydrophobicContact CB-CD2 4.06Å; I23-L83 HydrophobicContact CB-CG 4.47Å; I23-L83 HydrophobicContact CG2-CD1 3.75Å; I23-L83 HydrophobicContact CG2-CD2 3.92Å; I23-L83 HydrophobicContact CG2-CG 3.77Å
24	Y	91.6	Very high	76.4	Confident	73 Å²	73	60 Å²	60	29%	0.286	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.6	174.4	-176.6	-122.1	0	0	0	108.5	V8 T26 Y68 L70	V8-Y24 WeakPolarHBondContact CG2-O 3.41Å; Y24-T26 HydrophobicContact CD1-CG2 3.39Å; Y24-T26 HydrophobicContact CE1-CG2 3.03Å; Y24-T26 HydrophobicContact CE2-CG2 4.48Å; Y24-T26 HydrophobicContact CG-CG2 4.26Å; Y24-Y68 HydrophobicContact CD2-CD2 4.37Å; Y24-Y68 AromaticContact CE2-CD2 3.42Å; Y24-Y68 HydrophobicContact CE2-CD2 3.42Å; Y24-Y68 VanDerWaalsContact CE2-CD2 3.42Å; Y24-Y68 HydrophobicContact CE2-CE2 4.13Å; Y24-Y68 AromaticContact CE2-CG 3.85Å; Y24-Y68 HydrophobicContact CE2-CG 3.85Å; Y24-L70 HydrophobicContact CD2-CD2 3.5Å; Y24-L70 HydrophobicContact CD2-CG 4.23Å; Y24-L70 HydrophobicContact CE2-CD2 4.41Å; Y24-L70 HydrophobicContact CG-CD2 4.25Å
25	V	90.3	Very high	77.7	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.3	-178.4	-172.3	0	0	0	0	107.7	I23 L28 F45 Y68 A69 V71 V94	I23-V25 HydrophobicContact CD1-CG2 3.91Å; I23-V25 HydrophobicContact CG1-CG2 4.14Å; V25-L28 HydrophobicContact CG1-CD2 3.63Å; V25-L28 HydrophobicContact CG1-CG 4.33Å; V25-F45 HydrophobicContact CB-CZ 4.45Å; V25-F45 HydrophobicContact CG1-CE2 4.17Å; V25-F45 HydrophobicContact CG1-CZ 4.06Å; V25-F45 HydrophobicContact CG2-CE1 4.3Å; V25-F45 HydrophobicContact CG2-CE2 3.72Å; V25-F45 HydrophobicContact CG2-CZ 3.5Å; V25-F45 VanDerWaalsContact CG2-CZ 3.5Å; V25-Y68 CarbonylContact O-C 3.55Å; V25-Y68 WeakPolarHBondContact O-CA 3.44Å; V25-Y68 WeakPolarHBondContact O-CB 3.31Å; V25-A69 PolarHBondContact N-O 2.91Å; V25-A69 PolarHBondContact O-N 2.9Å; V25-V71 HydrophobicContact CG2-CG2 4.09Å; V25-V94 HydrophobicContact CG1-CB 4.07Å; V25-V94 HydrophobicContact CG1-CG2 3.87Å
26	T	88.6	Confident	79	Confident	24 Å²	24	59.2 Å²	59.2	15%	0.147	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	174.1	-178.5	73.7	0	0	0	0	111.6	S7 Y24 L28 G67 G95	S7-T26 PolarHBondContact O-OG1 3.06Å; Y24-T26 HydrophobicContact CD1-CG2 3.39Å; Y24-T26 HydrophobicContact CE1-CG2 3.03Å; Y24-T26 HydrophobicContact CE2-CG2 4.48Å; Y24-T26 HydrophobicContact CG-CG2 4.26Å; T26-L28 PolarHBondContact O-N 3.36Å; T26-G67 CarbonylContact C-O 3.53Å; T26-G95 VanDerWaalsContact CA-O 3.29Å; T26-G95 WeakPolarHBondContact CA-O 3.48Å; T26-G95 VanDerWaalsContact CB-O 3.26Å; T26-G95 WeakPolarHBondContact CB-O 3.3Å; T26-G95 PolarHBondContact N-O 3.28Å; T26-G95 PolarHBondContact O-N 2.75Å; T26-G95 PolarHBondContact OG1-O 2.99Å
27	S	86.1	Confident	80.1	Confident	82 Å²	82	55.8 Å²	55.8	57%	0.573	30%	0.296	S	S	*	.	S	Bend	trans	59.1	29.8	-177.7	-167.2	0	0	0	0	112.8	G67	S27-G67 PolarHBondContact N-O 2.9Å; S27-G67 VanDerWaalsContact N-O 3.1Å
28	L	82.5	Confident	81.1	Confident	11 Å²	11	53 Å²	53	6%	0.058	27%	0.265	C	S	.	.			trans	-62.4	138.8	174.2	-65.9	-179.1	0	0	0	109.5	V25 T26 I31 L41 L56 G67 Y68 A69 V94	V25-L28 HydrophobicContact CG1-CD2 3.63Å; V25-L28 HydrophobicContact CG1-CG 4.33Å; T26-L28 PolarHBondContact O-N 3.36Å; L28-I31 HydrophobicContact CB-CD1 3.8Å; L28-I31 HydrophobicContact CB-CG1 4.5Å; L28-I31 HydrophobicContact CD1-CD1 4.14Å; L28-I31 HydrophobicContact CD2-CD1 3.88Å; L28-I31 HydrophobicContact CG-CD1 4.15Å; L28-L41 HydrophobicContact CD2-CD1 3.76Å; L28-L56 HydrophobicContact CD1-CD1 3.52Å; L28-G67 PolarHBondContact N-O 3.26Å; L28-G67 VanDerWaalsContact N-O 3.09Å; L28-Y68 VanDerWaalsContact CD1-C 3.44Å; L28-A69 HydrophobicContact CD1-CB 3.68Å; L28-V94 HydrophobicContact CD2-CB 4.11Å; L28-V94 HydrophobicContact CD2-CG1 3.75Å
29	P	74.1	Confident	82.2	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.039	28%	0.28	C	S	.	.			trans	-52.5	171.9	164.8	4.2	-10.3	0	0	0	111.6	I31 S65 D90 R92	P29-I31 HydrophobicContact CB-CG1 4.2Å; P29-I31 HydrophobicContact CG-CD1 4.2Å; P29-I31 HydrophobicContact CG-CG1 3.9Å; P29-I31 WeakPolarHBondContact O-CG1 3.27Å; P29-I31 PolarHBondContact O-N 3.19Å; P29-S65 PolarHBondContact O-OG 3.05Å; P29-D90 HydrophobicContact CG-CB 4.38Å; P29-R92 HydrophobicContact CG-CB 4.24Å
30	W	75.3	Confident	82.5	Confident	174 Å²	174	55 Å²	55	66%	0.659	27%	0.265	S	S	*	.	S	Bend	trans	-65	77.3	165.6	-91.1	43.8	0	0	0	109.4	F64	W30-F64 HydrophobicContact CB-CD1 3.88Å; W30-F64 HydrophobicContact CB-CE1 4.4Å; W30-F64 HydrophobicContact CB-CG 4.31Å; W30-F64 HydrophobicContact CD2-CB 4Å; W30-F64 HydrophobicContact CD2-CD1 4.35Å; W30-F64 HydrophobicContact CD2-CD2 4.21Å; W30-F64 AromaticContact CD2-CG 3.94Å; W30-F64 HydrophobicContact CD2-CG 3.94Å; W30-F64 HydrophobicContact CE3-CB 3.75Å; W30-F64 AromaticContact CE3-CD1 3.79Å; W30-F64 HydrophobicContact CE3-CD1 3.79Å; W30-F64 AromaticContact CE3-CD2 3.14Å; W30-F64 HydrophobicContact CE3-CD2 3.14Å; W30-F64 HydrophobicContact CE3-CE1 4.13Å; W30-F64 AromaticContact CE3-CE2 3.56Å; W30-F64 HydrophobicContact CE3-CE2 3.56Å; W30-F64 AromaticContact CE3-CG 3.27Å; W30-F64 HydrophobicContact CE3-CG 3.27Å; W30-F64 HydrophobicContact CE3-CZ 4.03Å; W30-F64 HydrophobicContact CG-CB 4.38Å; W30-F64 HydrophobicContact CG-CD1 4.46Å; W30-F64 HydrophobicContact CG-CG 4.42Å; W30-F64 HydrophobicContact CH2-CD2 4.32Å; W30-F64 HydrophobicContact CZ3-CB 4.23Å; W30-F64 AromaticContact CZ3-CD2 3.21Å; W30-F64 HydrophobicContact CZ3-CD2 3.21Å; W30-F64 AromaticContact CZ3-CE2 3.62Å; W30-F64 HydrophobicContact CZ3-CE2 3.62Å; W30-F64 AromaticContact CZ3-CG 3.81Å; W30-F64 HydrophobicContact CZ3-CG 3.81Å; W30-F64 HydrophobicContact CZ3-CZ 4.49Å; W30-F64 WeakPolarHBondContact O-CD1 3.3Å
31	I	72.1	Confident	82.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.254	C	S	.	.			trans	-84.4	131.9	178.8	-62.6	176	0	0	0	106.8	L28 P29 G33 H37 L56 F64 S65 I89	L28-I31 HydrophobicContact CB-CD1 3.8Å; L28-I31 HydrophobicContact CB-CG1 4.5Å; L28-I31 HydrophobicContact CD1-CD1 4.14Å; L28-I31 HydrophobicContact CD2-CD1 3.88Å; L28-I31 HydrophobicContact CG-CD1 4.15Å; P29-I31 HydrophobicContact CB-CG1 4.2Å; P29-I31 HydrophobicContact CG-CD1 4.2Å; P29-I31 HydrophobicContact CG-CG1 3.9Å; P29-I31 WeakPolarHBondContact O-CG1 3.27Å; P29-I31 PolarHBondContact O-N 3.19Å; I31-G33 PolarHBondContact O-N 3.21Å; I31-H37 HydrophobicContact CB-CB 4.13Å; I31-H37 HydrophobicContact CG1-CB 4.48Å; I31-H37 HydrophobicContact CG2-CB 3.39Å; I31-L56 HydrophobicContact CG2-CD2 4.08Å; I31-F64 CarbonylContact O-C 3.57Å; I31-F64 WeakPolarHBondContact O-CA 3.39Å; I31-S65 WeakPolarHBondContact O-CB 3.44Å; I31-S65 PolarHBondContact O-N 2.79Å; I31-I89 HydrophobicContact CD1-CG2 3.96Å
32	S	71.3	Confident	82.5	Confident	30 Å²	30	53.5 Å²	53.5	21%	0.21	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-65	129.2	171.3	55.7	0	0	0	0	110.5	K34 G63	S32-K34 PolarHBondContact O-N 3.5Å; S32-G63 CarbonylContact C-O 3.56Å; S32-G63 WeakPolarHBondContact CA-O 3.46Å
33	G	66.4	Low	82.6	Confident	6 Å²	6	57.3 Å²	57.3	6%	0.062	28%	0.277	C	S	.	.	S	Bend	trans	-66.5	-18.4	-175.6	0	0	0	0	0	114.6	I31 G63	I31-G33 PolarHBondContact O-N 3.21Å; G33-G63 PolarHBondContact N-O 3.12Å
34	K	68.7	Low	82.6	Confident	167 Å²	167	59.1 Å²	59.1	73%	0.726	29%	0.285	S	S	*	.	S	Bend	trans	-144.3	96.7	175.4	-68.1	-179.1	173.7	169.2	0	107.2	S32 Y58	S32-K34 PolarHBondContact O-N 3.5Å; K34-Y58 HydrophobicContact CD-CE1 4.35Å; K34-Y58 WeakPolarHBondContact CD-OH 3.49Å; K34-Y58 WeakPolarHBondContact CE-OH 3.49Å; K34-Y58 HydrophobicContact CG-CE1 4.1Å; K34-Y58 PolarHBondContact NZ-OH 3.31Å
35	G	77.7	Confident	82.6	Confident	23 Å²	23	55.6 Å²	55.6	24%	0.237	27%	0.272	C	S	.	.	S	Bend	trans	170.5	-173.6	-176.5	0	0	0	0	0	112.5	H37 F38 Y39	G35-H37 PolarHBondContact O-N 3.44Å; G35-F38 WeakPolarHBondContact O-CB 3.16Å; G35-F38 PolarHBondContact O-N 3.15Å; G35-Y39 VanDerWaalsContact O-CD2 3.29Å; G35-Y39 WeakPolarHBondContact O-CD2 3.27Å; G35-Y39 PolarHBondContact O-N 3.49Å
36	E	81.7	Confident	82.8	Confident	148 Å²	148	62.7 Å²	62.7	69%	0.692	30%	0.298	S	S	*	.	H	α-helix	trans	-51.2	-42.5	-179.9	-173.9	174	-164.9	0	0	112.5	F38 Y39 I40	E36-F38 VanDerWaalsContact C-N 3.3Å; E36-F38 PolarHBondContact O-N 3.28Å; E36-Y39 WeakPolarHBondContact O-CA 3.35Å; E36-Y39 WeakPolarHBondContact O-CB 3.11Å; E36-Y39 PolarHBondContact O-N 2.85Å; E36-I40 HydrophobicContact CG-CD1 4.49Å; E36-I40 PolarHBondContact O-N 3.24Å
37	H	80.8	Confident	83.1	Confident	57 Å²	57	67.7 Å²	67.7	26%	0.264	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-29.7	-177.7	-63.7	-129.1	0	0	0	112.9	I31 G35 Y39 I40 L41 D90	I31-H37 HydrophobicContact CB-CB 4.13Å; I31-H37 HydrophobicContact CG1-CB 4.48Å; I31-H37 HydrophobicContact CG2-CB 3.39Å; G35-H37 PolarHBondContact O-N 3.44Å; H37-Y39 VanDerWaalsContact C-N 3.32Å; H37-I40 PolarHBondContact O-N 3.49Å; H37-L41 PolarHBondContact O-N 3.37Å; H37-D90 IonicContact CE1-OD2 3.19Å; H37-D90 PolarHBondContact CE1-OD2 3Å; H37-D90 IonicContact ND1-OD2 3.27Å; H37-D90 PolarHBondContact ND1-OD2 3.22Å
38	F	85.4	Confident	83.5	Confident	45 Å²	45	65.5 Å²	65.5	20%	0.197	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-38.6	172	173.4	-103.5	0	0	0	111.3	G35 E36 L41 I42 V54 L56	G35-F38 WeakPolarHBondContact O-CB 3.16Å; G35-F38 PolarHBondContact O-N 3.15Å; E36-F38 VanDerWaalsContact C-N 3.3Å; E36-F38 PolarHBondContact O-N 3.28Å; F38-L41 PolarHBondContact O-N 2.9Å; F38-I42 HydrophobicContact CD1-CD1 3.85Å; F38-I42 HydrophobicContact CE1-CD1 3.24Å; F38-I42 HydrophobicContact CE1-CG1 4.38Å; F38-I42 HydrophobicContact CE2-CD1 4.14Å; F38-I42 HydrophobicContact CZ-CD1 3.43Å; F38-I42 VanDerWaalsContact CZ-CD1 3.43Å; F38-I42 HydrophobicContact CZ-CG1 4.35Å; F38-I42 PolarHBondContact O-N 3.17Å; F38-V54 HydrophobicContact CE2-CB 4.28Å; F38-V54 HydrophobicContact CE2-CG1 3.98Å; F38-V54 HydrophobicContact CZ-CB 4.41Å; F38-L56 HydrophobicContact CB-CD2 4.49Å; F38-L56 HydrophobicContact CD2-CB 4.16Å; F38-L56 HydrophobicContact CD2-CD2 3.7Å; F38-L56 HydrophobicContact CE2-CB 4.14Å
39	Y	88.8	Confident	84	Confident	155 Å²	155	65.5 Å²	65.5	61%	0.608	30%	0.303	S	S	*	.	H	α-helix	trans	-70.3	-35.6	176.7	-66.7	-71.5	0	0	0	112.1	G35 E36 H37 L41 I42 D43	G35-Y39 VanDerWaalsContact O-CD2 3.29Å; G35-Y39 WeakPolarHBondContact O-CD2 3.27Å; G35-Y39 PolarHBondContact O-N 3.49Å; E36-Y39 WeakPolarHBondContact O-CA 3.35Å; E36-Y39 WeakPolarHBondContact O-CB 3.11Å; E36-Y39 PolarHBondContact O-N 2.85Å; H37-Y39 VanDerWaalsContact C-N 3.32Å; Y39-L41 VanDerWaalsContact C-N 3.3Å; Y39-L41 PolarHBondContact O-N 2.76Å; Y39-I42 PolarHBondContact O-N 3.32Å; Y39-D43 VanDerWaalsContact O-CB 3.31Å; Y39-D43 WeakPolarHBondContact O-CB 3.37Å; Y39-D43 PolarHBondContact O-N 3.05Å
40	I	88.6	Confident	85	Confident	64 Å²	64	68 Å²	68	33%	0.328	32%	0.319	S	S	.	.	H	α-helix	trans	-57.7	-44	173.3	-63.7	172.5	0	0	0	110.8	E36 H37 I42 D43 H44 I89	E36-I40 HydrophobicContact CG-CD1 4.49Å; E36-I40 PolarHBondContact O-N 3.24Å; H37-I40 PolarHBondContact O-N 3.49Å; I40-I42 PolarHBondContact O-N 3.33Å; I40-D43 PolarHBondContact O-N 3.31Å; I40-H44 WeakPolarHBondContact O-CB 3.34Å; I40-H44 PolarHBondContact O-N 2.82Å; I40-I89 HydrophobicContact CG2-CG2 4.2Å
41	L	89	Confident	85.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-48.8	175.4	-174.7	77.6	0	0	0	111.8	L28 H37 F38 Y39 F45 V54 L56 A69 I89	L28-L41 HydrophobicContact CD2-CD1 3.76Å; H37-L41 PolarHBondContact O-N 3.37Å; F38-L41 PolarHBondContact O-N 2.9Å; Y39-L41 VanDerWaalsContact C-N 3.3Å; Y39-L41 PolarHBondContact O-N 2.76Å; L41-F45 HydrophobicContact CD1-CD2 4.08Å; L41-F45 HydrophobicContact CD1-CE2 3.7Å; L41-F45 HydrophobicContact CG-CD2 4.23Å; L41-F45 HydrophobicContact CG-CE2 4.34Å; L41-F45 VanDerWaalsContact O-CD2 3.27Å; L41-F45 WeakPolarHBondContact O-CD2 3.46Å; L41-F45 PolarHBondContact O-N 2.79Å; L41-V54 HydrophobicContact CD2-CG1 4.16Å; L41-L56 HydrophobicContact CD2-CD1 4.34Å; L41-A69 HydrophobicContact CD2-CB 3.74Å; L41-I89 HydrophobicContact CD1-CD1 3.96Å; L41-I89 HydrophobicContact CD1-CG1 4.15Å
42	I	91	Very high	86.9	Confident	22 Å²	22	62.8 Å²	62.8	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-46.1	-179.8	-70.2	177.1	0	0	0	111	F38 Y39 I40 H44 F45 R46 I51 V54	F38-I42 HydrophobicContact CD1-CD1 3.85Å; F38-I42 HydrophobicContact CE1-CD1 3.24Å; F38-I42 HydrophobicContact CE1-CG1 4.38Å; F38-I42 HydrophobicContact CE2-CD1 4.14Å; F38-I42 HydrophobicContact CZ-CD1 3.43Å; F38-I42 VanDerWaalsContact CZ-CD1 3.43Å; F38-I42 HydrophobicContact CZ-CG1 4.35Å; F38-I42 PolarHBondContact O-N 3.17Å; Y39-I42 PolarHBondContact O-N 3.32Å; I40-I42 PolarHBondContact O-N 3.33Å; I42-H44 VanDerWaalsContact C-N 3.34Å; I42-H44 PolarHBondContact O-N 3.1Å; I42-F45 PolarHBondContact O-N 3.21Å; I42-R46 HydrophobicContact CG2-CG 4.2Å; I42-R46 WeakPolarHBondContact O-CB 3.42Å; I42-R46 VanDerWaalsContact O-CG 3.29Å; I42-R46 WeakPolarHBondContact O-CG 3.39Å; I42-R46 PolarHBondContact O-N 3.32Å; I42-I51 HydrophobicContact CG2-CD1 4.19Å; I42-I51 WeakPolarHBondContact O-CD1 3.43Å; I42-V54 HydrophobicContact CD1-CG2 4.34Å; I42-V54 HydrophobicContact CG1-CG2 3.88Å
43	D	92.4	Very high	88	Confident	114 Å²	114	63.7 Å²	63.7	61%	0.61	32%	0.315	S	S	*	.	H	α-helix	trans	-64.4	-41.7	-176	-155.7	60.5	0	0	0	111.2	Y39 I40 F45 R46	Y39-D43 VanDerWaalsContact O-CB 3.31Å; Y39-D43 WeakPolarHBondContact O-CB 3.37Å; Y39-D43 PolarHBondContact O-N 3.05Å; I40-D43 PolarHBondContact O-N 3.31Å; D43-F45 PolarHBondContact O-N 3.42Å; D43-R46 WeakPolarHBondContact O-CB 3.27Å; D43-R46 PolarHBondContact O-N 3.27Å
44	H	92	Very high	89.2	Confident	39 Å²	39	65 Å²	65	18%	0.181	32%	0.321	C	S	.	.	H	α-helix	trans	-58.1	-50	172.4	-177	73.3	0	0	0	111.8	I40 I42 R46 Q47 H87 I89	I40-H44 WeakPolarHBondContact O-CB 3.34Å; I40-H44 PolarHBondContact O-N 2.82Å; I42-H44 VanDerWaalsContact C-N 3.34Å; I42-H44 PolarHBondContact O-N 3.1Å; H44-R46 VanDerWaalsContact C-N 3.31Å; H44-R46 PolarHBondContact O-N 3.17Å; H44-Q47 PolarHBondContact CE1-NE2 2.96Å; H44-Q47 PolarHBondContact ND1-NE2 3.25Å; H44-Q47 VanDerWaalsContact ND1-NE2 3.17Å; H44-Q47 WeakPolarHBondContact O-CG 3.39Å; H44-Q47 PolarHBondContact O-N 2.83Å; H44-Q47 PolarHBondContact O-NE2 3.48Å; H44-H87 AromaticContact NE2-CG 3.72Å; H44-H87 AromaticContact NE2-ND1 3.31Å; H44-H87 PolarHBondContact NE2-ND1 2.84Å; H44-I89 HydrophobicContact CB-CD1 3.59Å
45	F	92.8	Very high	90.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-74.8	-19.3	-177.7	-77.4	-70.1	0	0	0	114	I23 V25 L41 I42 D43 Q47 F48 I51 V71 F73 A82 H87	I23-F45 HydrophobicContact CD1-CD1 3.64Å; I23-F45 HydrophobicContact CD1-CE1 3.33Å; I23-F45 HydrophobicContact CD1-CG 4.47Å; I23-F45 HydrophobicContact CD1-CZ 3.98Å; V25-F45 HydrophobicContact CB-CZ 4.45Å; V25-F45 HydrophobicContact CG1-CE2 4.17Å; V25-F45 HydrophobicContact CG1-CZ 4.06Å; V25-F45 HydrophobicContact CG2-CE1 4.3Å; V25-F45 HydrophobicContact CG2-CE2 3.72Å; V25-F45 HydrophobicContact CG2-CZ 3.5Å; V25-F45 VanDerWaalsContact CG2-CZ 3.5Å; L41-F45 HydrophobicContact CD1-CD2 4.08Å; L41-F45 HydrophobicContact CD1-CE2 3.7Å; L41-F45 HydrophobicContact CG-CD2 4.23Å; L41-F45 HydrophobicContact CG-CE2 4.34Å; L41-F45 VanDerWaalsContact O-CD2 3.27Å; L41-F45 WeakPolarHBondContact O-CD2 3.46Å; L41-F45 PolarHBondContact O-N 2.79Å; I42-F45 PolarHBondContact O-N 3.21Å; D43-F45 PolarHBondContact O-N 3.42Å; F45-Q47 PolarHBondContact O-N 3.48Å; F45-F48 AromaticContact CD1-CD2 3.97Å; F45-F48 HydrophobicContact CD1-CD2 3.97Å; F45-F48 HydrophobicContact CD1-CE2 4.02Å; F45-F48 HydrophobicContact CE1-CE2 4.46Å; F45-F48 PolarHBondContact O-N 3.25Å; F45-I51 HydrophobicContact CB-CD1 3.72Å; F45-V71 HydrophobicContact CB-CG1 4.03Å; F45-V71 HydrophobicContact CD2-CG2 3.94Å; F45-V71 HydrophobicContact CE2-CG2 4.32Å; F45-V71 HydrophobicContact CG-CG1 4.26Å; F45-V71 HydrophobicContact CG-CG2 4.34Å; F45-F73 HydrophobicContact CB-CZ 4.05Å; F45-F73 HydrophobicContact CD1-CZ 4.17Å; F45-F73 WeakPolarHBondContact O-CE1 3.31Å; F45-A82 HydrophobicContact CD1-CB 4.25Å; F45-A82 HydrophobicContact CE1-CB 4.39Å; F45-H87 AromaticContact CE1-CD2 3.72Å; F45-H87 AromaticContact CE1-CE1 3.78Å; F45-H87 AromaticContact CE1-NE2 3.46Å; F45-H87 WeakPolarHBondContact CE1-NE2 3.4Å; F45-H87 AromaticContact CZ-CD2 3.79Å
46	R	94	Very high	91	Very high	149 Å²	149	63 Å²	63	56%	0.562	30%	0.304	S	S	*	.	H	α-helix	trans	-63.1	-24.1	176	-88.5	178	161.3	157.6	-3.6	113.5	I42 D43 H44 F48 G49 I51	I42-R46 HydrophobicContact CG2-CG 4.2Å; I42-R46 WeakPolarHBondContact O-CB 3.42Å; I42-R46 VanDerWaalsContact O-CG 3.29Å; I42-R46 WeakPolarHBondContact O-CG 3.39Å; I42-R46 PolarHBondContact O-N 3.32Å; D43-R46 WeakPolarHBondContact O-CB 3.27Å; D43-R46 PolarHBondContact O-N 3.27Å; H44-R46 VanDerWaalsContact C-N 3.31Å; H44-R46 PolarHBondContact O-N 3.17Å; R46-F48 PolarHBondContact O-N 3.23Å; R46-G49 PolarHBondContact O-N 3.28Å; R46-I51 HydrophobicContact CG-CD1 3.91Å; R46-I51 HydrophobicContact CG-CG1 4.25Å
47	Q	94.3	Very high	91.3	Very high	129 Å²	129	56.5 Å²	56.5	60%	0.603	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.8	177.8	81.4	-170.6	-77.9	0	0	113	H44 F45	H44-Q47 PolarHBondContact CE1-NE2 2.96Å; H44-Q47 PolarHBondContact ND1-NE2 3.25Å; H44-Q47 VanDerWaalsContact ND1-NE2 3.17Å; H44-Q47 WeakPolarHBondContact O-CG 3.39Å; H44-Q47 PolarHBondContact O-N 2.83Å; H44-Q47 PolarHBondContact O-NE2 3.48Å; F45-Q47 PolarHBondContact O-N 3.48Å
48	F	93.7	Very high	91.7	Very high	37 Å²	37	56.7 Å²	56.7	16%	0.162	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-25.8	179.4	-54.8	-72.7	0	0	0	112.5	F45 R46 F73 D78 K81 A82 H87	F45-F48 AromaticContact CD1-CD2 3.97Å; F45-F48 HydrophobicContact CD1-CD2 3.97Å; F45-F48 HydrophobicContact CD1-CE2 4.02Å; F45-F48 HydrophobicContact CE1-CE2 4.46Å; F45-F48 PolarHBondContact O-N 3.25Å; R46-F48 PolarHBondContact O-N 3.23Å; F48-F73 HydrophobicContact CB-CE1 4.03Å; F48-F73 HydrophobicContact CB-CZ 4.17Å; F48-D78 WeakPolarHBondContact O-CB 3.23Å; F48-K81 HydrophobicContact CD1-CB 4.27Å; F48-A82 HydrophobicContact CB-CB 4.09Å; F48-A82 HydrophobicContact CD1-CB 4.31Å; F48-A82 HydrophobicContact CD2-CB 3.73Å; F48-A82 HydrophobicContact CE2-CB 4.26Å; F48-A82 HydrophobicContact CG-CB 3.77Å; F48-H87 AromaticContact CE2-CE1 3.66Å; F48-H87 AromaticContact CZ-CE1 3.56Å; F48-H87 AromaticContact CZ-ND1 3.87Å
49	G	94.5	Very high	91.8	Very high	10 Å²	10	58 Å²	58	10%	0.103	28%	0.283	C	S	.	.	S	Bend	trans	161.7	176.5	177	0	0	0	0	0	114.3	R46 I51	R46-G49 PolarHBondContact O-N 3.28Å; G49-I51 PolarHBondContact O-N 2.91Å
50	P	94.6	Very high	91.6	Very high	58 Å²	58	58.9 Å²	58.9	38%	0.377	29%	0.292	S	S	.	.			trans	-63.8	121.1	179.6	23.3	-32.3	0	0	0	112.1	R74 D78	P50-R74 HydrophobicContact CB-CB 4.47Å; P50-R74 HydrophobicContact CB-CG 4.38Å; P50-R74 HydrophobicContact CG-CB 4.15Å; P50-R74 PolarHBondContact O-N 3.33Å; P50-D78 WeakPolarHBondContact CD-OD2 3.49Å
51	I	94.3	Very high	91.5	Very high	31 Å²	31	65.6 Å²	65.6	16%	0.159	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128	175.4	-60.2	177.3	0	0	0	109.7	I42 F45 R46 G49 V54 V71 R72 F73	I42-I51 HydrophobicContact CG2-CD1 4.19Å; I42-I51 WeakPolarHBondContact O-CD1 3.43Å; F45-I51 HydrophobicContact CB-CD1 3.72Å; R46-I51 HydrophobicContact CG-CD1 3.91Å; R46-I51 HydrophobicContact CG-CG1 4.25Å; G49-I51 PolarHBondContact O-N 2.91Å; I51-V54 HydrophobicContact CG2-CG2 3.66Å; I51-V71 HydrophobicContact CD1-CG1 3.9Å; I51-V71 HydrophobicContact CG1-CG1 4.09Å; I51-V71 HydrophobicContact CG2-CG1 4.11Å; I51-R72 CarbonylContact C-O 3.29Å; I51-R72 WeakPolarHBondContact CG2-O 3.29Å; I51-F73 HydrophobicContact CG1-CD1 4.43Å; I51-F73 HydrophobicContact CG1-CE1 4.14Å
52	A	93.8	Very high	91.3	Very high	35 Å²	35	67.9 Å²	67.9	29%	0.289	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-43.3	173.6	0	0	0	0	0	112.2	R72 R74	A52-R72 HydrophobicContact CB-CB 4.43Å; A52-R72 HydrophobicContact CB-CG 4.21Å; A52-R72 WeakPolarHBondContact CB-O 3.44Å; A52-R72 PolarHBondContact N-O 2.68Å; A52-R74 HydrophobicContact CB-CG 3.91Å
53	S	93.2	Very high	91	Very high	49 Å²	49	68.2 Å²	68.2	34%	0.343	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	150.2	178.9	55	0	0	0	0	111.3	R72	S53-R72 PolarHBondContact N-O 3.27Å; S53-R72 WeakPolarHBondContact O-CB 3.42Å; S53-R72 PolarHBondContact O-N 3.49Å; S53-R72 PolarHBondContact OG-NE 2.85Å; S53-R72 PolarHBondContact OG-NH2 2.7Å
54	V	92.5	Very high	90.6	Very high	32 Å²	32	66.3 Å²	66.3	19%	0.194	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.4	170.5	-178.6	0	0	0	0	109.6	F38 L41 I42 I51 L70 V71	F38-V54 HydrophobicContact CE2-CB 4.28Å; F38-V54 HydrophobicContact CE2-CG1 3.98Å; F38-V54 HydrophobicContact CZ-CB 4.41Å; L41-V54 HydrophobicContact CD2-CG1 4.16Å; I42-V54 HydrophobicContact CD1-CG2 4.34Å; I42-V54 HydrophobicContact CG1-CG2 3.88Å; I51-V54 HydrophobicContact CG2-CG2 3.66Å; V54-L70 CarbonylContact C-O 3.59Å; V54-L70 WeakPolarHBondContact CA-O 3.49Å; V54-V71 HydrophobicContact CG1-CG2 4.28Å; V54-V71 HydrophobicContact CG2-CG1 4.27Å; V54-V71 HydrophobicContact CG2-CG2 4.27Å
55	Y	91.8	Very high	90.3	Very high	136 Å²	136	64.8 Å²	64.8	53%	0.533	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.5	170.4	174.9	-103.9	0	0	0	109	P57 A69 L70	Y55-P57 HydrophobicContact CD1-CG 4.28Å; Y55-P57 HydrophobicContact CE1-CB 4.06Å; Y55-P57 HydrophobicContact CE1-CG 3.69Å; Y55-A69 CarbonylContact O-C 3.53Å; Y55-A69 VanDerWaalsContact O-CA 3.31Å; Y55-A69 WeakPolarHBondContact O-CA 3.44Å; Y55-L70 HydrophobicContact CD1-CD1 3.89Å; Y55-L70 HydrophobicContact CD1-CG 4.42Å; Y55-L70 PolarHBondContact N-O 3.33Å; Y55-L70 PolarHBondContact O-N 2.77Å
56	L	90.8	Very high	90	Very high	13 Å²	13	72.8 Å²	72.8	7%	0.068	35%	0.354	C	S	.	.			trans	-118.2	90.8	177.6	-179.8	76.4	0	0	0	108.2	L28 I31 F38 L41 Y58 Y68 A69	L28-L56 HydrophobicContact CD1-CD1 3.52Å; I31-L56 HydrophobicContact CG2-CD2 4.08Å; F38-L56 HydrophobicContact CB-CD2 4.49Å; F38-L56 HydrophobicContact CD2-CB 4.16Å; F38-L56 HydrophobicContact CD2-CD2 3.7Å; F38-L56 HydrophobicContact CE2-CB 4.14Å; L41-L56 HydrophobicContact CD2-CD1 4.34Å; L56-Y58 PolarHBondContact O-N 3.39Å; L56-Y68 WeakPolarHBondContact CD1-O 3.29Å; L56-A69 HydrophobicContact CB-CB 4.44Å; L56-A69 HydrophobicContact CD1-CB 3.68Å
57	P	88.2	Confident	89.8	Confident	12 Å²	12	66.8 Å²	66.8	8%	0.078	34%	0.339	C	S	.	.			trans	-67.2	132	176.8	24.5	-28	0	0	0	109.8	Y55 S65 R66 Y68	Y55-P57 HydrophobicContact CD1-CG 4.28Å; Y55-P57 HydrophobicContact CE1-CB 4.06Å; Y55-P57 HydrophobicContact CE1-CG 3.69Å; P57-S65 WeakPolarHBondContact O-CA 3.49Å; P57-R66 PolarHBondContact O-N 3.48Å; P57-Y68 HydrophobicContact CG-CD2 4.05Å; P57-Y68 HydrophobicContact CG-CE1 3.94Å; P57-Y68 HydrophobicContact CG-CE2 3.36Å; P57-Y68 WeakPolarHBondContact CG-OH 3.34Å
58	Y	89.2	Confident	89.6	Confident	60 Å²	60	63.8 Å²	63.8	24%	0.235	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-128.6	160.1	178.7	64.2	-89.6	0	0	0	110.4	K34 L56 E60 F64	K34-Y58 HydrophobicContact CD-CE1 4.35Å; K34-Y58 WeakPolarHBondContact CD-OH 3.49Å; K34-Y58 WeakPolarHBondContact CE-OH 3.49Å; K34-Y58 HydrophobicContact CG-CE1 4.1Å; K34-Y58 PolarHBondContact NZ-OH 3.31Å; L56-Y58 PolarHBondContact O-N 3.39Å; Y58-E60 HydrophobicContact CE2-CG 4.29Å; Y58-F64 CarbonylContact C-O 3.48Å; Y58-F64 VanDerWaalsContact CA-O 3.23Å; Y58-F64 WeakPolarHBondContact CA-O 3.4Å; Y58-F64 VanDerWaalsContact CB-O 3.3Å; Y58-F64 WeakPolarHBondContact CB-O 3.4Å
59	N	87.4	Confident	89.4	Confident	74 Å²	74	62 Å²	62	40%	0.396	32%	0.315	S	S	.	.			trans	-80.7	119.7	172.2	178.8	-23.7	0	0	0	108.5	K61 S62 G63 F64	N59-K61 PolarHBondContact O-N 2.8Å; N59-K61 WeakPolarHBondContact OD1-CB 3.31Å; N59-K61 PolarHBondContact OD1-N 2.76Å; N59-S62 WeakPolarHBondContact CB-OG 3.31Å; N59-S62 PolarHBondContact O-N 2.99Å; N59-S62 PolarHBondContact OD1-N 3.47Å; N59-G63 VanDerWaalsContact O-CA 3.3Å; N59-G63 WeakPolarHBondContact O-CA 3.44Å; N59-G63 PolarHBondContact O-N 3.46Å; N59-F64 PolarHBondContact N-O 3.26Å
60	E	85.6	Confident	89.3	Confident	172 Å²	172	64.5 Å²	64.5	80%	0.804	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.1	-176.8	-61.2	-175.7	127	0	0	113.5	Y58	Y58-E60 HydrophobicContact CE2-CG 4.29Å
61	K	85.9	Confident	89.3	Confident	205 Å²	205	61.8 Å²	61.8	89%	0.891	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-41.4	177.7	-64.5	-173.8	177.9	-176.7	0	112.2	N59	N59-K61 PolarHBondContact O-N 2.8Å; N59-K61 WeakPolarHBondContact OD1-CB 3.31Å; N59-K61 PolarHBondContact OD1-N 2.76Å
62	S	85.4	Confident	89.2	Confident	49 Å²	49	64.6 Å²	64.6	34%	0.343	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-18.7	-176.9	77.4	0	0	0	0	113.3	N59 F64	N59-S62 WeakPolarHBondContact CB-OG 3.31Å; N59-S62 PolarHBondContact O-N 2.99Å; N59-S62 PolarHBondContact OD1-N 3.47Å; S62-F64 WeakPolarHBondContact O-CD2 3.12Å; S62-F64 WeakPolarHBondContact O-CE2 3.35Å; S62-F64 PolarHBondContact O-N 2.89Å; S62-F64 PolarHBondContact OG-N 2.86Å
63	G	83.8	Confident	89.3	Confident	28 Å²	28	62.9 Å²	62.9	29%	0.289	30%	0.302	S	S	.	.			trans	75.8	-4.6	-172.1	0	0	0	0	0	114.6	S32 G33 N59	S32-G63 CarbonylContact C-O 3.56Å; S32-G63 WeakPolarHBondContact CA-O 3.46Å; G33-G63 PolarHBondContact N-O 3.12Å; N59-G63 VanDerWaalsContact O-CA 3.3Å; N59-G63 WeakPolarHBondContact O-CA 3.44Å; N59-G63 PolarHBondContact O-N 3.46Å
64	F	84.3	Confident	89.3	Confident	74 Å²	74	68.1 Å²	68.1	33%	0.325	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-95.6	147	-172.7	-63.8	-74.4	0	0	0	113.6	W30 I31 Y58 N59 S62	W30-F64 HydrophobicContact CB-CD1 3.88Å; W30-F64 HydrophobicContact CB-CE1 4.4Å; W30-F64 HydrophobicContact CB-CG 4.31Å; W30-F64 HydrophobicContact CD2-CB 4Å; W30-F64 HydrophobicContact CD2-CD1 4.35Å; W30-F64 HydrophobicContact CD2-CD2 4.21Å; W30-F64 AromaticContact CD2-CG 3.94Å; W30-F64 HydrophobicContact CD2-CG 3.94Å; W30-F64 HydrophobicContact CE3-CB 3.75Å; W30-F64 AromaticContact CE3-CD1 3.79Å; W30-F64 HydrophobicContact CE3-CD1 3.79Å; W30-F64 AromaticContact CE3-CD2 3.14Å; W30-F64 HydrophobicContact CE3-CD2 3.14Å; W30-F64 HydrophobicContact CE3-CE1 4.13Å; W30-F64 AromaticContact CE3-CE2 3.56Å; W30-F64 HydrophobicContact CE3-CE2 3.56Å; W30-F64 AromaticContact CE3-CG 3.27Å; W30-F64 HydrophobicContact CE3-CG 3.27Å; W30-F64 HydrophobicContact CE3-CZ 4.03Å; W30-F64 HydrophobicContact CG-CB 4.38Å; W30-F64 HydrophobicContact CG-CD1 4.46Å; W30-F64 HydrophobicContact CG-CG 4.42Å; W30-F64 HydrophobicContact CH2-CD2 4.32Å; W30-F64 HydrophobicContact CZ3-CB 4.23Å; W30-F64 AromaticContact CZ3-CD2 3.21Å; W30-F64 HydrophobicContact CZ3-CD2 3.21Å; W30-F64 AromaticContact CZ3-CE2 3.62Å; W30-F64 HydrophobicContact CZ3-CE2 3.62Å; W30-F64 AromaticContact CZ3-CG 3.81Å; W30-F64 HydrophobicContact CZ3-CG 3.81Å; W30-F64 HydrophobicContact CZ3-CZ 4.49Å; W30-F64 WeakPolarHBondContact O-CD1 3.3Å; I31-F64 CarbonylContact O-C 3.57Å; I31-F64 WeakPolarHBondContact O-CA 3.39Å; Y58-F64 CarbonylContact C-O 3.48Å; Y58-F64 VanDerWaalsContact CA-O 3.23Å; Y58-F64 WeakPolarHBondContact CA-O 3.4Å; Y58-F64 VanDerWaalsContact CB-O 3.3Å; Y58-F64 WeakPolarHBondContact CB-O 3.4Å; N59-F64 PolarHBondContact N-O 3.26Å; S62-F64 WeakPolarHBondContact O-CD2 3.12Å; S62-F64 WeakPolarHBondContact O-CE2 3.35Å; S62-F64 PolarHBondContact O-N 2.89Å; S62-F64 PolarHBondContact OG-N 2.86Å
65	S	86.1	Confident	89.2	Confident	8 Å²	8	71.9 Å²	71.9	6%	0.056	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-59.8	157.3	178.5	78.4	0	0	0	0	112.1	P29 I31 P57 G67	P29-S65 PolarHBondContact O-OG 3.05Å; I31-S65 WeakPolarHBondContact O-CB 3.44Å; I31-S65 PolarHBondContact O-N 2.79Å; P57-S65 WeakPolarHBondContact O-CA 3.49Å; S65-G67 PolarHBondContact O-N 3.09Å; S65-G67 PolarHBondContact OG-N 3.4Å
66	R	87.4	Confident	89.2	Confident	168 Å²	168	67.4 Å²	67.4	63%	0.634	31%	0.314	S	S	*	.			trans	-83.2	19.5	174	-62.6	-173.4	-179.6	-151.8	-0.2	113.1	P57 Y68	P57-R66 PolarHBondContact O-N 3.48Å; R66-Y68 VanDerWaalsContact C-N 3.32Å; R66-Y68 HydrophobicContact CB-CD1 4.1Å; R66-Y68 HydrophobicContact CB-CE1 3.83Å; R66-Y68 WeakPolarHBondContact O-CD1 3.37Å; R66-Y68 PolarHBondContact O-N 2.82Å
67	G	88.3	Confident	89.3	Confident	23 Å²	23	69.1 Å²	69.1	24%	0.237	33%	0.327	C	S	.	.	S	Bend	trans	79.1	8.3	179.4	0	0	0	0	0	115.3	T26 S27 L28 S65	T26-G67 CarbonylContact C-O 3.53Å; S27-G67 PolarHBondContact N-O 2.9Å; S27-G67 VanDerWaalsContact N-O 3.1Å; L28-G67 PolarHBondContact N-O 3.26Å; L28-G67 VanDerWaalsContact N-O 3.09Å; S65-G67 PolarHBondContact O-N 3.09Å; S65-G67 PolarHBondContact OG-N 3.4Å
68	Y	90.1	Very high	89.5	Confident	66 Å²	66	68.6 Å²	68.6	26%	0.259	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.4	176.2	72.7	-90.9	0	0	0	113	Y24 V25 L28 L56 P57 R66	Y24-Y68 HydrophobicContact CD2-CD2 4.37Å; Y24-Y68 AromaticContact CE2-CD2 3.42Å; Y24-Y68 HydrophobicContact CE2-CD2 3.42Å; Y24-Y68 VanDerWaalsContact CE2-CD2 3.42Å; Y24-Y68 HydrophobicContact CE2-CE2 4.13Å; Y24-Y68 AromaticContact CE2-CG 3.85Å; Y24-Y68 HydrophobicContact CE2-CG 3.85Å; V25-Y68 CarbonylContact O-C 3.55Å; V25-Y68 WeakPolarHBondContact O-CA 3.44Å; V25-Y68 WeakPolarHBondContact O-CB 3.31Å; L28-Y68 VanDerWaalsContact CD1-C 3.44Å; L56-Y68 WeakPolarHBondContact CD1-O 3.29Å; P57-Y68 HydrophobicContact CG-CD2 4.05Å; P57-Y68 HydrophobicContact CG-CE1 3.94Å; P57-Y68 HydrophobicContact CG-CE2 3.36Å; P57-Y68 WeakPolarHBondContact CG-OH 3.34Å; R66-Y68 VanDerWaalsContact C-N 3.32Å; R66-Y68 HydrophobicContact CB-CD1 4.1Å; R66-Y68 HydrophobicContact CB-CE1 3.83Å; R66-Y68 WeakPolarHBondContact O-CD1 3.37Å; R66-Y68 PolarHBondContact O-N 2.82Å
69	A	91	Very high	89.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.1	171.9	0	0	0	0	0	111.4	V25 L28 L41 Y55 L56	V25-A69 PolarHBondContact N-O 2.91Å; V25-A69 PolarHBondContact O-N 2.9Å; L28-A69 HydrophobicContact CD1-CB 3.68Å; L41-A69 HydrophobicContact CD2-CB 3.74Å; Y55-A69 CarbonylContact O-C 3.53Å; Y55-A69 VanDerWaalsContact O-CA 3.31Å; Y55-A69 WeakPolarHBondContact O-CA 3.44Å; L56-A69 HydrophobicContact CB-CB 4.44Å; L56-A69 HydrophobicContact CD1-CB 3.68Å
70	L	92.8	Very high	89.8	Confident	61 Å²	61	66.9 Å²	66.9	32%	0.319	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.4	166	-66	167.6	0	0	0	108.6	T22 I23 Y24 V54 Y55	T22-L70 HydrophobicContact CG2-CB 3.83Å; T22-L70 HydrophobicContact CG2-CD2 3.99Å; T22-L70 HydrophobicContact CG2-CG 4.46Å; I23-L70 WeakPolarHBondContact O-CA 3.39Å; Y24-L70 HydrophobicContact CD2-CD2 3.5Å; Y24-L70 HydrophobicContact CD2-CG 4.23Å; Y24-L70 HydrophobicContact CE2-CD2 4.41Å; Y24-L70 HydrophobicContact CG-CD2 4.25Å; V54-L70 CarbonylContact C-O 3.59Å; V54-L70 WeakPolarHBondContact CA-O 3.49Å; Y55-L70 HydrophobicContact CD1-CD1 3.89Å; Y55-L70 HydrophobicContact CD1-CG 4.42Å; Y55-L70 PolarHBondContact N-O 3.33Å; Y55-L70 PolarHBondContact O-N 2.77Å
71	V	93.2	Very high	90.1	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.9	176.9	-179.8	0	0	0	0	108.2	T22 I23 V25 F45 I51 V54 F73	T22-V71 CarbonylContact C-O 3.57Å; T22-V71 WeakPolarHBondContact CA-O 3.26Å; I23-V71 HydrophobicContact CD1-CB 4.13Å; I23-V71 HydrophobicContact CG1-CB 3.69Å; I23-V71 HydrophobicContact CG1-CG1 4.46Å; I23-V71 WeakPolarHBondContact CG1-O 3.46Å; I23-V71 PolarHBondContact N-O 3.03Å; I23-V71 PolarHBondContact O-N 3.45Å; V25-V71 HydrophobicContact CG2-CG2 4.09Å; F45-V71 HydrophobicContact CB-CG1 4.03Å; F45-V71 HydrophobicContact CD2-CG2 3.94Å; F45-V71 HydrophobicContact CE2-CG2 4.32Å; F45-V71 HydrophobicContact CG-CG1 4.26Å; F45-V71 HydrophobicContact CG-CG2 4.34Å; I51-V71 HydrophobicContact CD1-CG1 3.9Å; I51-V71 HydrophobicContact CG1-CG1 4.09Å; I51-V71 HydrophobicContact CG2-CG1 4.11Å; V54-V71 HydrophobicContact CG1-CG2 4.28Å; V54-V71 HydrophobicContact CG2-CG1 4.27Å; V54-V71 HydrophobicContact CG2-CG2 4.27Å; V71-F73 HydrophobicContact CG1-CD2 4.37Å; V71-F73 HydrophobicContact CG1-CE2 3.86Å; V71-F73 HydrophobicContact CG1-CZ 4.16Å
72	R	93.3	Very high	90.4	Very high	90 Å²	90	53.9 Å²	53.9	34%	0.34	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.4	178.9	-169.4	163.8	64.2	158.1	4.5	109.9	Q20 A21 T22 I51 A52 S53	Q20-R72 HydrophobicContact CB-CG 4.32Å; Q20-R72 VanDerWaalsContact OE1-CZ 3.29Å; A21-R72 CarbonylContact O-C 3.44Å; A21-R72 WeakPolarHBondContact O-CA 3.41Å; T22-R72 HydrophobicContact CG2-CB 4.29Å; T22-R72 WeakPolarHBondContact OG1-CD 2.94Å; T22-R72 VanDerWaalsContact OG1-CG 3.31Å; T22-R72 WeakPolarHBondContact OG1-CG 3.46Å; I51-R72 CarbonylContact C-O 3.29Å; I51-R72 WeakPolarHBondContact CG2-O 3.29Å; A52-R72 HydrophobicContact CB-CB 4.43Å; A52-R72 HydrophobicContact CB-CG 4.21Å; A52-R72 WeakPolarHBondContact CB-O 3.44Å; A52-R72 PolarHBondContact N-O 2.68Å; S53-R72 PolarHBondContact N-O 3.27Å; S53-R72 WeakPolarHBondContact O-CB 3.42Å; S53-R72 PolarHBondContact O-N 3.49Å; S53-R72 PolarHBondContact OG-NE 2.85Å; S53-R72 PolarHBondContact OG-NH2 2.7Å
73	F	94.4	Very high	90.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	152.3	172.9	-73	-87	0	0	0	111.2	Q20 A21 I23 F45 F48 I51 V71 R75 D78 A79 A82	Q20-F73 VanDerWaalsContact CA-O 3.29Å; Q20-F73 WeakPolarHBondContact CA-O 3.36Å; Q20-F73 WeakPolarHBondContact CB-O 3.26Å; A21-F73 PolarHBondContact N-O 3.26Å; A21-F73 PolarHBondContact O-N 2.95Å; I23-F73 HydrophobicContact CD1-CE2 3.78Å; I23-F73 HydrophobicContact CG1-CE2 3.98Å; I23-F73 HydrophobicContact CG2-CD2 4.37Å; I23-F73 HydrophobicContact CG2-CE2 4.29Å; F45-F73 HydrophobicContact CB-CZ 4.05Å; F45-F73 HydrophobicContact CD1-CZ 4.17Å; F45-F73 WeakPolarHBondContact O-CE1 3.31Å; F48-F73 HydrophobicContact CB-CE1 4.03Å; F48-F73 HydrophobicContact CB-CZ 4.17Å; I51-F73 HydrophobicContact CG1-CD1 4.43Å; I51-F73 HydrophobicContact CG1-CE1 4.14Å; V71-F73 HydrophobicContact CG1-CD2 4.37Å; V71-F73 HydrophobicContact CG1-CE2 3.86Å; V71-F73 HydrophobicContact CG1-CZ 4.16Å; F73-R75 VanDerWaalsContact C-N 3.26Å; F73-R75 WeakPolarHBondContact CB-O 3.39Å; F73-R75 PolarHBondContact O-N 2.83Å; F73-D78 HydrophobicContact CB-CB 4.35Å; F73-D78 HydrophobicContact CD1-CB 3.84Å; F73-D78 HydrophobicContact CE1-CB 4.49Å; F73-D78 HydrophobicContact CG-CB 4.26Å; F73-A79 HydrophobicContact CB-CB 4.27Å; F73-A79 HydrophobicContact CD2-CB 3.76Å; F73-A79 HydrophobicContact CG-CB 4.26Å; F73-A82 HydrophobicContact CE2-CB 4.01Å; F73-A82 HydrophobicContact CZ-CB 3.99Å
74	R	93.2	Very high	90.7	Very high	159 Å²	159	60 Å²	60	60%	0.6	27%	0.272	S	S	*	.	S	Bend	trans	-68.7	-25.9	173.3	-73.1	-165.1	176.6	-174	-1	113.4	P50 A52	P50-R74 HydrophobicContact CB-CB 4.47Å; P50-R74 HydrophobicContact CB-CG 4.38Å; P50-R74 HydrophobicContact CG-CB 4.15Å; P50-R74 PolarHBondContact O-N 3.33Å; A52-R74 HydrophobicContact CB-CG 3.91Å
75	R	91.8	Very high	90.6	Very high	110 Å²	110	58 Å²	58	42%	0.415	27%	0.274	S	S	.	.	S	Bend	trans	-128.4	140.9	-178.8	-64.1	178.6	-67.3	-160.2	2.5	110.6	E19 F73 S77 D78 A79	E19-R75 CarbonylContact O-C 3.59Å; E19-R75 VanDerWaalsContact O-C 3.29Å; E19-R75 VanDerWaalsContact O-CA 3.27Å; E19-R75 WeakPolarHBondContact O-CA 2.93Å; F73-R75 VanDerWaalsContact C-N 3.26Å; F73-R75 WeakPolarHBondContact CB-O 3.39Å; F73-R75 PolarHBondContact O-N 2.83Å; R75-S77 VanDerWaalsContact C-N 3.34Å; R75-S77 PolarHBondContact O-N 3.42Å; R75-D78 HydrophobicContact CB-CB 4.48Å; R75-D78 IonicContact CZ-OD2 3.21Å; R75-D78 IonicContact NE-OD1 3.93Å; R75-D78 IonicContact NE-OD2 2.76Å; R75-D78 PolarHBondContact NE-OD2 3.23Å; R75-D78 IonicContact NH2-OD1 3.57Å; R75-D78 IonicContact NH2-OD2 2.8Å; R75-D78 PolarHBondContact NH2-OD2 3.5Å; R75-D78 PolarHBondContact O-N 3.5Å; R75-A79 PolarHBondContact O-N 3.19Å
76	S	90.8	Very high	90.6	Very high	42 Å²	42	64 Å²	64	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-40.5	177.8	52.7	0	0	0	0	112.4	E19 D78 A79 E80	E19-S76 PolarHBondContact O-N 2.88Å; S76-D78 PolarHBondContact O-N 3.24Å; S76-A79 WeakPolarHBondContact O-CB 3.44Å; S76-A79 PolarHBondContact O-N 3.42Å; S76-A79 VanDerWaalsContact O-N 3.09Å; S76-E80 PolarHBondContact O-N 3.4Å
77	S	92.6	Very high	90.7	Very high	49 Å²	49	56.4 Å²	56.4	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-29.5	177.6	53	0	0	0	0	113.5	R75 K81	R75-S77 VanDerWaalsContact C-N 3.34Å; R75-S77 PolarHBondContact O-N 3.42Å; S77-K81 VanDerWaalsContact O-CG 3.31Å; S77-K81 WeakPolarHBondContact O-CG 3.3Å; S77-K81 PolarHBondContact O-N 3.19Å; S77-K81 VanDerWaalsContact O-N 3.15Å
78	D	93.8	Very high	90.6	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-76.3	-34	176	-64.8	-23.9	0	0	0	111.5	F48 P50 F73 R75 S76 K81 A82	F48-D78 WeakPolarHBondContact O-CB 3.23Å; P50-D78 WeakPolarHBondContact CD-OD2 3.49Å; F73-D78 HydrophobicContact CB-CB 4.35Å; F73-D78 HydrophobicContact CD1-CB 3.84Å; F73-D78 HydrophobicContact CE1-CB 4.49Å; F73-D78 HydrophobicContact CG-CB 4.26Å; R75-D78 HydrophobicContact CB-CB 4.48Å; R75-D78 IonicContact CZ-OD2 3.21Å; R75-D78 IonicContact NE-OD1 3.93Å; R75-D78 IonicContact NE-OD2 2.76Å; R75-D78 PolarHBondContact NE-OD2 3.23Å; R75-D78 IonicContact NH2-OD1 3.57Å; R75-D78 IonicContact NH2-OD2 2.8Å; R75-D78 PolarHBondContact NH2-OD2 3.5Å; R75-D78 PolarHBondContact O-N 3.5Å; S76-D78 PolarHBondContact O-N 3.24Å; D78-K81 PolarHBondContact O-N 3.27Å; D78-K81 IonicContact OD1-NZ 2.9Å; D78-K81 PolarHBondContact OD1-NZ 3.04Å; D78-A82 PolarHBondContact O-N 2.81Å; D78-A82 VanDerWaalsContact O-N 3.12Å
79	A	91.4	Very high	90.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-42.1	170.8	0	0	0	0	0	111.7	A21 I23 F73 R75 S76 K81 A82 L83	A21-A79 HydrophobicContact CB-CB 3.58Å; I23-A79 HydrophobicContact CG2-CB 3.69Å; F73-A79 HydrophobicContact CB-CB 4.27Å; F73-A79 HydrophobicContact CD2-CB 3.76Å; F73-A79 HydrophobicContact CG-CB 4.26Å; R75-A79 PolarHBondContact O-N 3.19Å; S76-A79 WeakPolarHBondContact O-CB 3.44Å; S76-A79 PolarHBondContact O-N 3.42Å; S76-A79 VanDerWaalsContact O-N 3.09Å; A79-K81 VanDerWaalsContact C-N 3.33Å; A79-K81 PolarHBondContact O-N 3.44Å; A79-A82 WeakPolarHBondContact O-CB 3.41Å; A79-A82 PolarHBondContact O-N 2.9Å; A79-L83 VanDerWaalsContact O-CG 3.26Å; A79-L83 WeakPolarHBondContact O-CG 3.33Å; A79-L83 PolarHBondContact O-N 3Å
80	E	90.6	Very high	89.8	Confident	98 Å²	98	62.1 Å²	62.1	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-42	176.1	-74.1	173.6	-167.9	0	0	111.9	Y12 S76 A82 L83 Q84	Y12-E80 HydrophobicContact CE1-CG 4.49Å; S76-E80 PolarHBondContact O-N 3.4Å; E80-A82 PolarHBondContact O-N 3.4Å; E80-L83 PolarHBondContact O-N 2.76Å; E80-Q84 WeakPolarHBondContact O-CG 3.38Å; E80-Q84 PolarHBondContact O-N 3.33Å
81	K	91.9	Very high	89.3	Confident	104 Å²	104	62.1 Å²	62.1	45%	0.452	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-44.4	174	-71.3	169.3	-159.1	158.9	0	112.1	F48 S77 D78 A79 L83 Q84	F48-K81 HydrophobicContact CD1-CB 4.27Å; S77-K81 VanDerWaalsContact O-CG 3.31Å; S77-K81 WeakPolarHBondContact O-CG 3.3Å; S77-K81 PolarHBondContact O-N 3.19Å; S77-K81 VanDerWaalsContact O-N 3.15Å; D78-K81 PolarHBondContact O-N 3.27Å; D78-K81 IonicContact OD1-NZ 2.9Å; D78-K81 PolarHBondContact OD1-NZ 3.04Å; A79-K81 VanDerWaalsContact C-N 3.33Å; A79-K81 PolarHBondContact O-N 3.44Å; K81-L83 PolarHBondContact O-N 3.27Å; K81-Q84 PolarHBondContact O-N 3.41Å
82	A	91.8	Very high	88.7	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-56.6	-44.6	176.6	0	0	0	0	0	109.8	I23 F45 F48 F73 D78 A79 E80 Q84 G85 H87	I23-A82 HydrophobicContact CD1-CB 4.04Å; F45-A82 HydrophobicContact CD1-CB 4.25Å; F45-A82 HydrophobicContact CE1-CB 4.39Å; F48-A82 HydrophobicContact CB-CB 4.09Å; F48-A82 HydrophobicContact CD1-CB 4.31Å; F48-A82 HydrophobicContact CD2-CB 3.73Å; F48-A82 HydrophobicContact CE2-CB 4.26Å; F48-A82 HydrophobicContact CG-CB 3.77Å; F73-A82 HydrophobicContact CE2-CB 4.01Å; F73-A82 HydrophobicContact CZ-CB 3.99Å; D78-A82 PolarHBondContact O-N 2.81Å; D78-A82 VanDerWaalsContact O-N 3.12Å; A79-A82 WeakPolarHBondContact O-CB 3.41Å; A79-A82 PolarHBondContact O-N 2.9Å; E80-A82 PolarHBondContact O-N 3.4Å; A82-Q84 VanDerWaalsContact C-N 3.27Å; A82-Q84 PolarHBondContact O-N 2.81Å; A82-G85 PolarHBondContact O-N 3.2Å; A82-H87 PolarHBondContact O-CE1 3.36Å; A82-H87 PolarHBondContact O-NE2 3.29Å
83	L	88.9	Confident	88.1	Confident	34 Å²	34	69.8 Å²	69.8	18%	0.178	35%	0.349	C	S	.	.	H	α-helix	trans	-72.3	-14.2	-175.8	-65.3	169	0	0	0	115.8	L10 Y12 I23 A79 E80 K81	L10-L83 HydrophobicContact CD1-CB 4.35Å; L10-L83 HydrophobicContact CD1-CD1 3.82Å; L10-L83 HydrophobicContact CD1-CD2 3.94Å; L10-L83 HydrophobicContact CD1-CG 4.22Å; L10-L83 HydrophobicContact CD2-CD1 3.32Å; L10-L83 HydrophobicContact CD2-CD2 3.54Å; L10-L83 HydrophobicContact CD2-CG 4.02Å; L10-L83 HydrophobicContact CG-CD1 4.16Å; L10-L83 HydrophobicContact CG-CD2 4.04Å; Y12-L83 HydrophobicContact CE1-CD1 3.82Å; Y12-L83 HydrophobicContact CE2-CD1 3.78Å; Y12-L83 WeakPolarHBondContact OH-CD1 3.08Å; I23-L83 HydrophobicContact CB-CD2 4.06Å; I23-L83 HydrophobicContact CB-CG 4.47Å; I23-L83 HydrophobicContact CG2-CD1 3.75Å; I23-L83 HydrophobicContact CG2-CD2 3.92Å; I23-L83 HydrophobicContact CG2-CG 3.77Å; A79-L83 VanDerWaalsContact O-CG 3.26Å; A79-L83 WeakPolarHBondContact O-CG 3.33Å; A79-L83 PolarHBondContact O-N 3Å; E80-L83 PolarHBondContact O-N 2.76Å; K81-L83 PolarHBondContact O-N 3.27Å
84	Q	87.7	Confident	87.6	Confident	171 Å²	171	70.3 Å²	70.3	80%	0.799	35%	0.352	S	S	*	.	H	α-helix	trans	-83.7	-15.1	172.6	-69.2	-176.1	-9.6	0	0	112.7	E80 K81 A82	E80-Q84 WeakPolarHBondContact O-CG 3.38Å; E80-Q84 PolarHBondContact O-N 3.33Å; K81-Q84 PolarHBondContact O-N 3.41Å; A82-Q84 VanDerWaalsContact C-N 3.27Å; A82-Q84 PolarHBondContact O-N 2.81Å
85	G	82.6	Confident	86.6	Confident	34 Å²	34	63.9 Å²	63.9	35%	0.351	34%	0.335	S	S	.	.	S	Bend	trans	-88.3	154.1	-177.8	0	0	0	0	0	113.5	A82	A82-G85 PolarHBondContact O-N 3.2Å
86	L	84.8	Confident	86.4	Confident	132 Å²	132	61.6 Å²	61.6	69%	0.691	33%	0.331	S	S	*	.			trans	-79.5	140.1	155	-103.1	107.6	0	0	0	108.9	Q93	L86-Q93 HydrophobicContact CD2-CG 4.31Å; L86-Q93 VanDerWaalsContact CD2-NE2 3.32Å
87	H	89.3	Confident	86.2	Confident	9 Å²	9	62.6 Å²	62.6	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.7	-179	-59.1	-41	0	0	0	110.6	H44 F45 F48 A82 Q93 V94	H44-H87 AromaticContact NE2-CG 3.72Å; H44-H87 AromaticContact NE2-ND1 3.31Å; H44-H87 PolarHBondContact NE2-ND1 2.84Å; F45-H87 AromaticContact CE1-CD2 3.72Å; F45-H87 AromaticContact CE1-CE1 3.78Å; F45-H87 AromaticContact CE1-NE2 3.46Å; F45-H87 WeakPolarHBondContact CE1-NE2 3.4Å; F45-H87 AromaticContact CZ-CD2 3.79Å; F48-H87 AromaticContact CE2-CE1 3.66Å; F48-H87 AromaticContact CZ-CE1 3.56Å; F48-H87 AromaticContact CZ-ND1 3.87Å; A82-H87 PolarHBondContact O-CE1 3.36Å; A82-H87 PolarHBondContact O-NE2 3.29Å; H87-Q93 CarbonylContact O-C 3.53Å; H87-Q93 VanDerWaalsContact O-CA 3.27Å; H87-Q93 WeakPolarHBondContact O-CA 3.49Å; H87-V94 HydrophobicContact CB-CG2 3.39Å; H87-V94 PolarHBondContact O-N 2.79Å
88	E	86.2	Confident	85.8	Confident	117 Å²	117	63.3 Å²	63.3	55%	0.547	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.4	172.7	-167	175.7	123.6	0	0	108.7	G91 R92	E88-G91 WeakPolarHBondContact OE1-CA 3.29Å; E88-R92 CarbonylContact C-O 3.59Å; E88-R92 VanDerWaalsContact CA-O 3.3Å; E88-R92 WeakPolarHBondContact CA-O 3.46Å
89	I	84.4	Confident	85.3	Confident	2 Å²	2	67 Å²	67	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.7	178.1	-58.4	-72.4	0	0	0	106.6	I31 I40 L41 H44 G91 R92 V94	I31-I89 HydrophobicContact CD1-CG2 3.96Å; I40-I89 HydrophobicContact CG2-CG2 4.2Å; L41-I89 HydrophobicContact CD1-CD1 3.96Å; L41-I89 HydrophobicContact CD1-CG1 4.15Å; H44-I89 HydrophobicContact CB-CD1 3.59Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.07Å; I89-R92 PolarHBondContact N-O 3.47Å; I89-R92 PolarHBondContact O-N 3.48Å; I89-V94 HydrophobicContact CB-CG1 3.94Å; I89-V94 HydrophobicContact CG1-CB 4.45Å; I89-V94 HydrophobicContact CG1-CG1 3.9Å; I89-V94 HydrophobicContact CG1-CG2 3.66Å
90	D	80.7	Confident	85	Confident	91 Å²	91	71.2 Å²	71.2	49%	0.487	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	43.8	176.5	-162.5	24	0	0	0	112.6	P29 H37 R92	P29-D90 HydrophobicContact CG-CB 4.38Å; H37-D90 IonicContact CE1-OD2 3.19Å; H37-D90 PolarHBondContact CE1-OD2 3Å; H37-D90 IonicContact ND1-OD2 3.27Å; H37-D90 PolarHBondContact ND1-OD2 3.22Å; D90-R92 PolarHBondContact O-N 2.9Å
91	G	81.2	Confident	84.6	Confident	60 Å²	60	69.4 Å²	69.4	62%	0.619	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	8.9	-179.1	0	0	0	0	0	115.3	E88 I89	E88-G91 WeakPolarHBondContact OE1-CA 3.29Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.07Å
92	R	80.8	Confident	84.1	Confident	150 Å²	150	66.9 Å²	66.9	57%	0.566	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.2	176.5	-67.6	-166.1	-176.9	173	-1.6	111.9	P29 E88 I89 D90 V94	P29-R92 HydrophobicContact CG-CB 4.24Å; E88-R92 CarbonylContact C-O 3.59Å; E88-R92 VanDerWaalsContact CA-O 3.3Å; E88-R92 WeakPolarHBondContact CA-O 3.46Å; I89-R92 PolarHBondContact N-O 3.47Å; I89-R92 PolarHBondContact O-N 3.48Å; D90-R92 PolarHBondContact O-N 2.9Å; R92-V94 PolarHBondContact O-N 3.34Å
93	Q	81.9	Confident	83.5	Confident	103 Å²	103	72.1 Å²	72.1	48%	0.481	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.6	169.1	-74.5	-173.8	0.8	0	0	110.6	L86 H87	L86-Q93 HydrophobicContact CD2-CG 4.31Å; L86-Q93 VanDerWaalsContact CD2-NE2 3.32Å; H87-Q93 CarbonylContact O-C 3.53Å; H87-Q93 VanDerWaalsContact O-CA 3.27Å; H87-Q93 WeakPolarHBondContact O-CA 3.49Å
94	V	83.3	Confident	83	Confident	10 Å²	10	75.3 Å²	75.3	6%	0.061	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.6	174.8	-55.8	0	0	0	0	108.8	V25 L28 H87 I89 R92	V25-V94 HydrophobicContact CG1-CB 4.07Å; V25-V94 HydrophobicContact CG1-CG2 3.87Å; L28-V94 HydrophobicContact CD2-CB 4.11Å; L28-V94 HydrophobicContact CD2-CG1 3.75Å; H87-V94 HydrophobicContact CB-CG2 3.39Å; H87-V94 PolarHBondContact O-N 2.79Å; I89-V94 HydrophobicContact CB-CG1 3.94Å; I89-V94 HydrophobicContact CG1-CB 4.45Å; I89-V94 HydrophobicContact CG1-CG1 3.9Å; I89-V94 HydrophobicContact CG1-CG2 3.66Å; R92-V94 PolarHBondContact O-N 3.34Å
95	G	73.2	Confident	82.6	Confident	24 Å²	24	66.5 Å²	66.5	25%	0.247	37%	0.373	C	S	.	.			trans	-113.4	0	-176.3	0	0	0	0	0	109.8	S7 V8 T26	S7-G95 WeakPolarHBondContact O-CA 3.48Å; V8-G95 VanDerWaalsContact CB-C 3.43Å; V8-G95 WeakPolarHBondContact CB-OXT 3.45Å; V8-G95 WeakPolarHBondContact CG2-O 3.42Å; V8-G95 WeakPolarHBondContact CG2-OXT 3.02Å; T26-G95 VanDerWaalsContact CA-O 3.29Å; T26-G95 WeakPolarHBondContact CA-O 3.48Å; T26-G95 VanDerWaalsContact CB-O 3.26Å; T26-G95 WeakPolarHBondContact CB-O 3.3Å; T26-G95 PolarHBondContact N-O 3.28Å; T26-G95 PolarHBondContact O-N 2.75Å; T26-G95 PolarHBondContact OG1-O 2.99Å

Retrieved 95 of 95 residues in 28.6 ms (Link to these results)

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