A0A077ZEM1_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 13

Component of the Mediator complex, a coactivator involved in regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077ZEM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 aa.

						>A0A077ZEM1_TRITR|A0A077ZEM1
MQPLALGFLISTAPTGPVPDWFWTARPSASKALPVHLRSALHIHTSGVQQSDDQLLPGGANRSAAAGSCHPLDSSLTTDVLRYVLETYNALSWLSLDLKTGDRRSCFPLHIQALSRLYRAMENLLRR
					

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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	81.3	Confident	93.9	Very high	214 Å²	214	81.4 Å²	81.4	100%	1.054	41%	0.413	S	S	*	.				0	116.1	0	-69.1	-63.3	-100.6	0	0	108.7
2	Q	91.8	Very high	93.9	Very high	181 Å²	181	82.8 Å²	82.8	85%	0.846	43%	0.429	S	S	*	.			trans	-72.2	137.5	173.8	-177.4	173	-1.2	0	0	109.4
3	P	95.3	Very high	93.9	Very high	51 Å²	51	76.5 Å²	76.5	33%	0.331	40%	0.396	S	S	.	.			trans	-76.2	145.8	178.2	31.8	-35.9	0	0	0	112.4	A40 L41	P3-A40 HydrophobicContact CB-CB 3.83Å; P3-L41 CarbonylContact C-O 3.54Å; P3-L41 WeakPolarHBondContact CA-O 3.4Å
4	L	95.4	Very high	93.9	Very high	84 Å²	84	75.6 Å²	75.6	44%	0.44	40%	0.398	S	S	.	.	S	Bend	trans	-73.7	-30.4	176.7	-61.2	176	0	0	0	112.9	L41 H44 T77	L4-L41 WeakPolarHBondContact CB-O 3.39Å; L4-L41 PolarHBondContact N-O 2.59Å; L4-H44 HydrophobicContact CD1-CB 3.67Å; L4-T77 HydrophobicContact CB-CG2 3.83Å; L4-T77 HydrophobicContact CD1-CG2 4.33Å; L4-T77 PolarHBondContact O-OG1 3.16Å
5	A	96.9	Very high	94	Very high	9 Å²	9	71.4 Å²	71.4	7%	0.074	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.5	174	0	0	0	0	0	109.4	A40 L41 T78 L81	A5-A40 WeakPolarHBondContact O-CA 3.3Å; A5-L41 HydrophobicContact CB-CB 4.11Å; A5-L41 PolarHBondContact O-N 2.71Å; A5-T78 HydrophobicContact CB-CG2 4.18Å; A5-L81 HydrophobicContact CB-CB 4.16Å; A5-L81 HydrophobicContact CB-CD2 3.82Å
6	L	97.3	Very high	93.8	Very high	70 Å²	70	68.8 Å²	68.8	37%	0.366	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.6	176.4	-167	79.7	0	0	0	109.8	F8 R38 S39 A40 L81	L6-F8 HydrophobicContact CD2-CE2 4.27Å; L6-F8 HydrophobicContact CD2-CZ 4.17Å; L6-R38 HydrophobicContact CD1-CG 3.87Å; L6-R38 VanDerWaalsContact CD2-NE 3.33Å; L6-R38 HydrophobicContact CG-CG 4.31Å; L6-S39 WeakPolarHBondContact CD1-O 3.44Å; L6-A40 HydrophobicContact CD1-CB 4.16Å; L6-L81 VanDerWaalsContact C-CD2 3.47Å
7	G	96.4	Very high	93.6	Very high	12 Å²	12	69.5 Å²	69.5	12%	0.124	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.9	178.4	0	0	0	0	0	111.6	S39	G7-S39 PolarHBondContact N-O 3.25Å; G7-S39 PolarHBondContact O-N 2.83Å
8	F	95.4	Very high	93.6	Very high	143 Å²	143	66.6 Å²	66.6	63%	0.627	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.1	175.4	-63.4	-85.5	0	0	0	109.3	L6 L37 R38	L6-F8 HydrophobicContact CD2-CE2 4.27Å; L6-F8 HydrophobicContact CD2-CZ 4.17Å; F8-L37 CarbonylContact C-O 3.56Å; F8-L37 VanDerWaalsContact CA-O 3.31Å; F8-L37 WeakPolarHBondContact CA-O 3.01Å; F8-R38 HydrophobicContact CD1-CB 4.18Å; F8-R38 HydrophobicContact CD1-CG 4.29Å; F8-R38 HydrophobicContact CE1-CB 4.07Å; F8-R38 HydrophobicContact CE1-CG 3.88Å; F8-R38 HydrophobicContact CZ-CG 4.44Å
9	L	94.1	Very high	93.6	Very high	23 Å²	23	63.6 Å²	63.6	12%	0.12	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.4	170.4	-175.4	87.6	0	0	0	107.7	L37 N89	L9-L37 HydrophobicContact CB-CB 4.32Å; L9-L37 HydrophobicContact CD2-CD1 4.12Å; L9-L37 PolarHBondContact N-O 3.35Å; L9-L37 PolarHBondContact O-N 3.36Å; L9-N89 HydrophobicContact CD1-CB 4.38Å
10	I	95.4	Very high	93.5	Very high	106 Å²	106	67.3 Å²	67.3	54%	0.544	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.5	173.3	-55.4	178.6	0	0	0	107.8	P34 V35	I10-P34 HydrophobicContact CG2-CB 3.96Å; I10-P34 HydrophobicContact CG2-CG 4.15Å; I10-V35 VanDerWaalsContact CA-O 3.3Å; I10-V35 WeakPolarHBondContact CA-O 3.33Å
11	S	94	Very high	93.5	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.014	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.3	-176.6	172.7	0	0	0	0	111.9	A13 P34 V35 R103 C106	S11-A13 VanDerWaalsContact C-N 3.3Å; S11-A13 WeakPolarHBondContact OG-CB 3.36Å; S11-A13 PolarHBondContact OG-N 2.91Å; S11-A13 PolarHBondContact OG-O 3.15Å; S11-P34 CarbonylContact O-C 3.55Å; S11-P34 WeakPolarHBondContact O-CA 3.12Å; S11-P34 WeakPolarHBondContact O-CB 3.49Å; S11-V35 PolarHBondContact N-O 3.25Å; S11-V35 PolarHBondContact O-N 3.18Å; S11-R103 PolarHBondContact OG-NH2 2.76Å; S11-C106 VanDerWaalsContact CB-CB 3.45Å; S11-C106 WeakPolarHBondContact OG-CB 3.47Å
12	T	93.2	Very high	94.2	Very high	99 Å²	99	63.7 Å²	63.7	61%	0.607	34%	0.34	S	S	*	.	S	Bend	trans	-76.4	-18.3	168.3	52.4	0	0	0	0	112.9	L33	T12-L33 WeakPolarHBondContact O-CD1 3.43Å
13	A	93.9	Very high	94.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-79.6	142.6	168.9	0	0	0	0	0	110.6	S11 V35 R103	S11-A13 VanDerWaalsContact C-N 3.3Å; S11-A13 WeakPolarHBondContact OG-CB 3.36Å; S11-A13 PolarHBondContact OG-N 2.91Å; S11-A13 PolarHBondContact OG-O 3.15Å; A13-V35 WeakPolarHBondContact O-CG2 3.36Å; A13-R103 HydrophobicContact CB-CG 3.39Å
14	P	94.8	Very high	94.3	Very high	65 Å²	65	59 Å²	59	42%	0.422	32%	0.32	S	S	.	.			trans	-67.5	168.4	179.2	30.5	-36.4	0	0	0	111.5	G16 S105 C106	P14-G16 VanDerWaalsContact C-N 3.28Å; P14-G16 PolarHBondContact O-N 3.38Å; P14-S105 CarbonylContact O-C 3.52Å; P14-S105 WeakPolarHBondContact O-CA 3.16Å; P14-C106 PolarHBondContact O-N 2.89Å
15	T	94.2	Very high	94.1	Very high	12 Å²	12	60 Å²	60	7%	0.074	34%	0.34	C	S	.	.			trans	-72.5	-23.1	171	50.4	0	0	0	0	113.2	W23 V35 L37 S105 F107	T15-W23 HydrophobicContact CG2-CH2 3.83Å; T15-W23 HydrophobicContact CG2-CZ2 3.48Å; T15-W23 VanDerWaalsContact CG2-CZ2 3.48Å; T15-V35 HydrophobicContact CG2-CG1 3.65Å; T15-V35 HydrophobicContact CG2-CG2 4.3Å; T15-L37 HydrophobicContact CG2-CD2 4.48Å; T15-S105 PolarHBondContact O-OG 3.18Å; T15-F107 HydrophobicContact CG2-CE2 3.62Å; T15-F107 HydrophobicContact CG2-CZ 3.9Å; T15-F107 WeakPolarHBondContact O-CD2 3.44Å
16	G	91.3	Very high	94	Very high	30 Å²	30	67.1 Å²	67.1	31%	0.309	37%	0.365	S	S	.	.			trans	72.3	-172.1	-163.2	0	0	0	0	0	111.9	P14 V18	P14-G16 VanDerWaalsContact C-N 3.28Å; P14-G16 PolarHBondContact O-N 3.38Å; G16-V18 PolarHBondContact O-N 3.07Å
17	P	90.6	Very high	93.8	Very high	80 Å²	80	67.8 Å²	67.8	52%	0.519	37%	0.374	S	S	.	.	S	Bend	trans	-76.1	94.1	-176.5	31.3	-34.5	0	0	0	110.8
18	V	94.1	Very high	93.7	Very high	18 Å²	18	71.9 Å²	71.9	11%	0.109	40%	0.4	C	S	.	.			trans	-96.6	158.2	169.2	-67.6	0	0	0	0	110.3	G16 F22 W23 F107	G16-V18 PolarHBondContact O-N 3.07Å; V18-F22 HydrophobicContact CB-CB 4.11Å; V18-F22 HydrophobicContact CB-CD1 4.3Å; V18-F22 HydrophobicContact CB-CG 4.1Å; V18-F22 HydrophobicContact CG2-CB 3.96Å; V18-F22 HydrophobicContact CG2-CD1 3.67Å; V18-F22 HydrophobicContact CG2-CE1 4.46Å; V18-F22 HydrophobicContact CG2-CG 3.91Å; V18-W23 VanDerWaalsContact CG2-NE1 3.25Å; V18-F107 HydrophobicContact CG1-CD2 4.17Å; V18-F107 HydrophobicContact CG1-CE2 3.71Å
19	P	93.4	Very high	93.6	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.058	38%	0.375	C	S	.	.			trans	-59.6	150	175.8	-25.1	37	0	0	0	112.7	W21 F22 Y118	P19-W21 VanDerWaalsContact CB-CD1 3.42Å; P19-W21 HydrophobicContact CB-CD2 4.08Å; P19-W21 HydrophobicContact CB-CG 4.01Å; P19-W21 HydrophobicContact CB-CZ2 4.1Å; P19-W21 HydrophobicContact CG-CZ2 3.83Å; P19-W21 PolarHBondContact O-N 3.12Å; P19-W21 VanDerWaalsContact O-N 3.16Å; P19-F22 WeakPolarHBondContact O-CB 3.46Å; P19-F22 PolarHBondContact O-N 3.23Å; P19-Y118 HydrophobicContact CB-CD1 3.81Å; P19-Y118 HydrophobicContact CB-CE1 3.55Å; P19-Y118 HydrophobicContact CG-CD1 3.38Å; P19-Y118 HydrophobicContact CG-CE1 3.69Å; P19-Y118 HydrophobicContact CG-CG 3.86Å
20	D	91.5	Very high	93.5	Very high	138 Å²	138	67.1 Å²	67.1	74%	0.738	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.3	-32.4	-179.6	-68	-25.7	0	0	0	112.5	F22 W23	D20-F22 PolarHBondContact O-N 2.79Å; D20-F22 VanDerWaalsContact O-N 3.14Å; D20-W23 PolarHBondContact O-N 2.79Å
21	W	93.7	Very high	93.3	Very high	137 Å²	137	71.6 Å²	71.6	52%	0.519	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-60.6	-25.1	177.2	63.2	-107.6	0	0	0	113	P19 W23 T24 Y118	P19-W21 VanDerWaalsContact CB-CD1 3.42Å; P19-W21 HydrophobicContact CB-CD2 4.08Å; P19-W21 HydrophobicContact CB-CG 4.01Å; P19-W21 HydrophobicContact CB-CZ2 4.1Å; P19-W21 HydrophobicContact CG-CZ2 3.83Å; P19-W21 PolarHBondContact O-N 3.12Å; P19-W21 VanDerWaalsContact O-N 3.16Å; W21-W23 PolarHBondContact O-N 2.88Å; W21-T24 HydrophobicContact CB-CG2 4.21Å; W21-T24 WeakPolarHBondContact O-CB 3.47Å; W21-T24 WeakPolarHBondContact O-CG2 3.14Å; W21-T24 PolarHBondContact O-N 2.99Å; W21-T24 PolarHBondContact O-OG1 3.33Å; W21-Y118 AromaticContact CD1-CZ 3.74Å; W21-Y118 AromaticContact NE1-CE1 3.91Å; W21-Y118 AromaticContact NE1-CE2 3.5Å; W21-Y118 AromaticContact NE1-CZ 3.35Å; W21-Y118 PolarHBondContact NE1-OH 3.18Å
22	F	94.6	Very high	93.1	Very high	69 Å²	69	73.5 Å²	73.5	30%	0.303	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-59.7	-32.7	176.8	-174.6	-92.1	0	0	0	111.6	V18 P19 D20 L37 F107	V18-F22 HydrophobicContact CB-CB 4.11Å; V18-F22 HydrophobicContact CB-CD1 4.3Å; V18-F22 HydrophobicContact CB-CG 4.1Å; V18-F22 HydrophobicContact CG2-CB 3.96Å; V18-F22 HydrophobicContact CG2-CD1 3.67Å; V18-F22 HydrophobicContact CG2-CE1 4.46Å; V18-F22 HydrophobicContact CG2-CG 3.91Å; P19-F22 WeakPolarHBondContact O-CB 3.46Å; P19-F22 PolarHBondContact O-N 3.23Å; D20-F22 PolarHBondContact O-N 2.79Å; D20-F22 VanDerWaalsContact O-N 3.14Å; F22-L37 HydrophobicContact CE1-CD2 3.99Å; F22-L37 HydrophobicContact CZ-CD1 4.45Å; F22-L37 HydrophobicContact CZ-CD2 4.17Å; F22-F107 HydrophobicContact CE1-CZ 4.03Å; F22-F107 HydrophobicContact CE2-CZ 4.04Å; F22-F107 HydrophobicContact CZ-CE1 4.24Å; F22-F107 HydrophobicContact CZ-CE2 4.23Å; F22-F107 AromaticContact CZ-CZ 3.44Å; F22-F107 HydrophobicContact CZ-CZ 3.44Å; F22-F107 VanDerWaalsContact CZ-CZ 3.44Å
23	W	94.6	Very high	93	Very high	29 Å²	29	74.5 Å²	74.5	11%	0.11	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-100.9	7.7	-178.6	-62	113.5	0	0	0	113.9	T15 V18 D20 W21 A25 R26 P27 A29 V35 L37	T15-W23 HydrophobicContact CG2-CH2 3.83Å; T15-W23 HydrophobicContact CG2-CZ2 3.48Å; T15-W23 VanDerWaalsContact CG2-CZ2 3.48Å; V18-W23 VanDerWaalsContact CG2-NE1 3.25Å; D20-W23 PolarHBondContact O-N 2.79Å; W21-W23 PolarHBondContact O-N 2.88Å; W23-A25 PolarHBondContact O-N 3.16Å; W23-A25 VanDerWaalsContact O-N 3.13Å; W23-R26 CarbonylContact O-C 2.99Å; W23-R26 WeakPolarHBondContact O-CA 3.3Å; W23-R26 PolarHBondContact O-N 2.95Å; W23-P27 WeakPolarHBondContact O-CA 3.35Å; W23-P27 VanDerWaalsContact O-CD 3.25Å; W23-P27 WeakPolarHBondContact O-CD 3.42Å; W23-P27 WeakPolarHBondContact O-CG 3.35Å; W23-A29 HydrophobicContact CE3-CB 4.08Å; W23-A29 HydrophobicContact CZ3-CB 3.86Å; W23-V35 HydrophobicContact CH2-CG1 4.13Å; W23-L37 HydrophobicContact CH2-CD2 3.7Å; W23-L37 HydrophobicContact CZ3-CD2 3.96Å
24	T	94.8	Very high	93.1	Very high	105 Å²	105	77 Å²	77	64%	0.644	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.2	-177.1	44.7	0	0	0	0	113.9	W21 R26	W21-T24 HydrophobicContact CB-CG2 4.21Å; W21-T24 WeakPolarHBondContact O-CB 3.47Å; W21-T24 WeakPolarHBondContact O-CG2 3.14Å; W21-T24 PolarHBondContact O-N 2.99Å; W21-T24 PolarHBondContact O-OG1 3.33Å; T24-R26 VanDerWaalsContact C-N 3.31Å; T24-R26 PolarHBondContact O-N 2.84Å
25	A	92.8	Very high	93.1	Very high	104 Å²	104	74.1 Å²	74.1	86%	0.86	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.4	178.2	0	0	0	0	0	113.4	W23	W23-A25 PolarHBondContact O-N 3.16Å; W23-A25 VanDerWaalsContact O-N 3.13Å
26	R	93.3	Very high	93.2	Very high	159 Å²	159	78.7 Å²	78.7	60%	0.6	44%	0.438	S	S	*	.			trans	-155	77.4	179.7	-167.5	177.2	175.8	178.8	1.9	111.7	W23 T24 S28 A29	W23-R26 CarbonylContact O-C 2.99Å; W23-R26 WeakPolarHBondContact O-CA 3.3Å; W23-R26 PolarHBondContact O-N 2.95Å; T24-R26 VanDerWaalsContact C-N 3.31Å; T24-R26 PolarHBondContact O-N 2.84Å; R26-S28 PolarHBondContact O-N 3.49Å; R26-A29 HydrophobicContact CB-CB 4.25Å; R26-A29 HydrophobicContact CG-CB 3.8Å; R26-A29 WeakPolarHBondContact O-CB 3.36Å; R26-A29 PolarHBondContact O-N 2.96Å
27	P	93.8	Very high	93.3	Very high	84 Å²	84	78 Å²	78	55%	0.545	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-60.1	-32.7	-174.8	-27.8	36.6	0	0	0	113.8	W23 A29 S30	W23-P27 WeakPolarHBondContact O-CA 3.35Å; W23-P27 VanDerWaalsContact O-CD 3.25Å; W23-P27 WeakPolarHBondContact O-CD 3.42Å; W23-P27 WeakPolarHBondContact O-CG 3.35Å; P27-A29 PolarHBondContact O-N 2.78Å; P27-S30 WeakPolarHBondContact O-CB 3.37Å; P27-S30 PolarHBondContact O-N 2.71Å; P27-S30 PolarHBondContact O-OG 3.47Å
28	S	93.5	Very high	93.5	Very high	97 Å²	97	82.6 Å²	82.6	68%	0.678	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-65	-21.6	177.9	57.2	0	0	0	0	113.9	R26 S30	R26-S28 PolarHBondContact O-N 3.49Å; S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.22Å
29	A	93.6	Very high	93.6	Very high	13 Å²	13	83.2 Å²	83.2	11%	0.107	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-76.5	-15.1	178.2	0	0	0	0	0	113.3	W23 R26 P27 K31 A32	W23-A29 HydrophobicContact CE3-CB 4.08Å; W23-A29 HydrophobicContact CZ3-CB 3.86Å; R26-A29 HydrophobicContact CB-CB 4.25Å; R26-A29 HydrophobicContact CG-CB 3.8Å; R26-A29 WeakPolarHBondContact O-CB 3.36Å; R26-A29 PolarHBondContact O-N 2.96Å; P27-A29 PolarHBondContact O-N 2.78Å; A29-K31 PolarHBondContact O-N 3.02Å; A29-K31 VanDerWaalsContact O-N 3.12Å; A29-A32 WeakPolarHBondContact O-CB 3.24Å; A29-A32 PolarHBondContact O-N 3.27Å; A29-A32 VanDerWaalsContact O-N 3.07Å
30	S	92.1	Very high	93.7	Very high	53 Å²	53	84.9 Å²	84.9	37%	0.371	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-59	-25.2	-179.7	61.6	0	0	0	0	114.4	P27 S28	P27-S30 WeakPolarHBondContact O-CB 3.37Å; P27-S30 PolarHBondContact O-N 2.71Å; P27-S30 PolarHBondContact O-OG 3.47Å; S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.22Å
31	K	90.5	Very high	93.9	Very high	200 Å²	200	79.5 Å²	79.5	87%	0.87	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-108.2	3	179.5	-61	-179.8	-177.9	178.1	0	113.3	A29	A29-K31 PolarHBondContact O-N 3.02Å; A29-K31 VanDerWaalsContact O-N 3.12Å
32	A	91.7	Very high	93.9	Very high	43 Å²	43	77.8 Å²	77.8	36%	0.355	42%	0.422	S	S	.	.			trans	-80	140.9	-176.6	0	0	0	0	0	111.4	A29	A29-A32 WeakPolarHBondContact O-CB 3.24Å; A29-A32 PolarHBondContact O-N 3.27Å; A29-A32 VanDerWaalsContact O-N 3.07Å
33	L	90.7	Very high	93.8	Very high	119 Å²	119	80.9 Å²	80.9	62%	0.623	44%	0.44	S	S	*	.	S	Bend	trans	-131.7	127.3	166.8	-160.3	69.6	0	0	0	109	T12 V35	T12-L33 WeakPolarHBondContact O-CD1 3.43Å; L33-V35 HydrophobicContact CD1-CG2 4.25Å
34	P	94.9	Very high	93.4	Very high	53 Å²	53	81.8 Å²	81.8	34%	0.344	45%	0.446	S	S	.	.	S	Bend	cis	-69.5	153	1.2	28.7	-31.6	0	0	0	112.7	I10 S11 H36	I10-P34 HydrophobicContact CG2-CB 3.96Å; I10-P34 HydrophobicContact CG2-CG 4.15Å; S11-P34 CarbonylContact O-C 3.55Å; S11-P34 WeakPolarHBondContact O-CA 3.12Å; S11-P34 WeakPolarHBondContact O-CB 3.49Å; P34-H36 PolarHBondContact O-CE1 2.81Å; P34-H36 PolarHBondContact O-ND1 3.21Å
35	V	95.2	Very high	92.9	Very high	5 Å²	5	81.5 Å²	81.5	3%	0.03	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130.9	173.6	-177.8	0	0	0	0	108.3	I10 S11 A13 T15 W23 L33 L37	I10-V35 VanDerWaalsContact CA-O 3.3Å; I10-V35 WeakPolarHBondContact CA-O 3.33Å; S11-V35 PolarHBondContact N-O 3.25Å; S11-V35 PolarHBondContact O-N 3.18Å; A13-V35 WeakPolarHBondContact O-CG2 3.36Å; T15-V35 HydrophobicContact CG2-CG1 3.65Å; T15-V35 HydrophobicContact CG2-CG2 4.3Å; W23-V35 HydrophobicContact CH2-CG1 4.13Å; L33-V35 HydrophobicContact CD1-CG2 4.25Å; V35-L37 HydrophobicContact CG1-CD1 4.28Å; V35-L37 HydrophobicContact CG1-CD2 3.66Å; V35-L37 HydrophobicContact CG1-CG 3.72Å
36	H	95.6	Very high	92	Very high	107 Å²	107	79.4 Å²	79.4	50%	0.495	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.5	175.2	-63.7	82.4	0	0	0	109.5	P34	P34-H36 PolarHBondContact O-CE1 2.81Å; P34-H36 PolarHBondContact O-ND1 3.21Å
37	L	95.1	Very high	90.6	Very high	17 Å²	17	74.1 Å²	74.1	9%	0.089	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.4	178.5	-54.1	-179	0	0	0	110.4	F8 L9 T15 F22 W23 V35 F107	F8-L37 CarbonylContact C-O 3.56Å; F8-L37 VanDerWaalsContact CA-O 3.31Å; F8-L37 WeakPolarHBondContact CA-O 3.01Å; L9-L37 HydrophobicContact CB-CB 4.32Å; L9-L37 HydrophobicContact CD2-CD1 4.12Å; L9-L37 PolarHBondContact N-O 3.35Å; L9-L37 PolarHBondContact O-N 3.36Å; T15-L37 HydrophobicContact CG2-CD2 4.48Å; F22-L37 HydrophobicContact CE1-CD2 3.99Å; F22-L37 HydrophobicContact CZ-CD1 4.45Å; F22-L37 HydrophobicContact CZ-CD2 4.17Å; W23-L37 HydrophobicContact CH2-CD2 3.7Å; W23-L37 HydrophobicContact CZ3-CD2 3.96Å; V35-L37 HydrophobicContact CG1-CD1 4.28Å; V35-L37 HydrophobicContact CG1-CD2 3.66Å; V35-L37 HydrophobicContact CG1-CG 3.72Å; L37-F107 HydrophobicContact CD1-CE1 3.37Å; L37-F107 HydrophobicContact CD1-CZ 3.4Å
38	R	95	Very high	88.9	Confident	176 Å²	176	75.6 Å²	75.6	66%	0.664	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	171.4	-175.3	179.2	179.4	-177.5	0.9	108.2	L6 F8	L6-R38 HydrophobicContact CD1-CG 3.87Å; L6-R38 VanDerWaalsContact CD2-NE 3.33Å; L6-R38 HydrophobicContact CG-CG 4.31Å; F8-R38 HydrophobicContact CD1-CB 4.18Å; F8-R38 HydrophobicContact CD1-CG 4.29Å; F8-R38 HydrophobicContact CE1-CB 4.07Å; F8-R38 HydrophobicContact CE1-CG 3.88Å; F8-R38 HydrophobicContact CZ-CG 4.44Å
39	S	95	Very high	86.8	Confident	31 Å²	31	79.5 Å²	79.5	22%	0.217	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.4	179.4	-59.4	0	0	0	0	109.8	L6 G7	L6-S39 WeakPolarHBondContact CD1-O 3.44Å; G7-S39 PolarHBondContact N-O 3.25Å; G7-S39 PolarHBondContact O-N 2.83Å
40	A	96.1	Very high	84.7	Confident	43 Å²	43	87.8 Å²	87.8	36%	0.355	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.7	-177.7	0	0	0	0	0	109.4	P3 A5 L6	P3-A40 HydrophobicContact CB-CB 3.83Å; A5-A40 WeakPolarHBondContact O-CA 3.3Å; L6-A40 HydrophobicContact CD1-CB 4.16Å
41	L	96	Very high	82.5	Confident	25 Å²	25	89.5 Å²	89.5	13%	0.131	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.1	171	-173.2	68.4	0	0	0	108.5	P3 L4 A5 I43 H44 T77 V80 L81	P3-L41 CarbonylContact C-O 3.54Å; P3-L41 WeakPolarHBondContact CA-O 3.4Å; L4-L41 WeakPolarHBondContact CB-O 3.39Å; L4-L41 PolarHBondContact N-O 2.59Å; A5-L41 HydrophobicContact CB-CB 4.11Å; A5-L41 PolarHBondContact O-N 2.71Å; L41-I43 WeakPolarHBondContact CD1-O 3.47Å; L41-H44 HydrophobicContact CD2-CB 4.17Å; L41-T77 HydrophobicContact CD2-CG2 4.24Å; L41-V80 HydrophobicContact CD2-CB 4.36Å; L41-V80 HydrophobicContact CD2-CG1 4.22Å; L41-L81 HydrophobicContact CB-CB 4.35Å; L41-L81 HydrophobicContact CB-CD1 4.36Å; L41-L81 HydrophobicContact CB-CD2 4.4Å
42	H	93.8	Very high	80.6	Confident	101 Å²	101	87.6 Å²	87.6	47%	0.468	48%	0.481	S	S	.	.			trans	-107.7	-29.6	178.9	-73	-72.9	0	0	0	113.5
43	I	91.3	Very high	78.4	Confident	135 Å²	135	92.4 Å²	92.4	69%	0.692	50%	0.5	S	S	*	.			trans	-126.1	131.7	-176.6	-57.9	173	0	0	0	107.5	L41 T45	L41-I43 WeakPolarHBondContact CD1-O 3.47Å; I43-T45 HydrophobicContact CG2-CG2 4.19Å
44	H	87.8	Confident	76.1	Confident	47 Å²	47	95.5 Å²	95.5	22%	0.218	51%	0.512	C	S	.	.			trans	-142.6	110.4	172.9	-178.3	-131.9	0	0	0	108.3	L4 L41 S46 S74 T77 V80	L4-H44 HydrophobicContact CD1-CB 3.67Å; L41-H44 HydrophobicContact CD2-CB 4.17Å; H44-S46 PolarHBondContact CE1-OG 3.3Å; H44-S46 PolarHBondContact NE2-OG 3.14Å; H44-S46 VanDerWaalsContact NE2-OG 3.13Å; H44-S74 PolarHBondContact CE1-O 3.13Å; H44-S74 PolarHBondContact NE2-O 3.04Å; H44-T77 HydrophobicContact CB-CG2 4.33Å; H44-V80 WeakPolarHBondContact NE2-CG2 3.35Å
45	T	82.6	Confident	73.9	Confident	99 Å²	99	99.8 Å²	99.8	61%	0.607	53%	0.531	S	S	*	.			trans	-114.3	84.5	178.5	53.7	0	0	0	0	108.3	I43	I43-T45 HydrophobicContact CG2-CG2 4.19Å
46	S	73.6	Confident	71.3	Confident	60 Å²	60	106.9 Å²	106.9	42%	0.42	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	138.2	171.8	-47.6	0	0	0	0	109.7	H44	H44-S46 PolarHBondContact CE1-OG 3.3Å; H44-S46 PolarHBondContact NE2-OG 3.14Å; H44-S46 VanDerWaalsContact NE2-OG 3.13Å
47	G	64.7	Low	69.2	Low	48 Å²	48	108 Å²	108	50%	0.495	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	80.2	21	164.6	0	0	0	0	0	117.9	Q49 Q50	G47-Q49 PolarHBondContact O-N 3.1Å; G47-Q50 PolarHBondContact O-N 3.38Å
48	V	57.8	Low	66.7	Low	116 Å²	116	110.8 Å²	110.8	70%	0.703	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	3.7	176.6	171.8	0	0	0	0	113.8
49	Q	50.4	Low	63.8	Low	178 Å²	178	106.2 Å²	106.2	83%	0.832	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.9	63.7	168.6	-141.2	162.2	-63.5	0	0	111.8	G47	G47-Q49 PolarHBondContact O-N 3.1Å
50	Q	50.1	Low	61.1	Low	187 Å²	187	108.6 Å²	108.6	87%	0.874	65%	0.647	S	S	*	*	S	Bend	trans	-123.8	52.1	153.2	-74.4	-167.3	-10	0	0	110.2	G47	G47-Q50 PolarHBondContact O-N 3.38Å
51	S	45.8	Very low	58.5	Low	90 Å²	90	113.7 Å²	113.7	63%	0.629	67%	0.668	S	S	*	*	S	Bend	trans	-158.5	85.7	163.6	45.7	0	0	0	0	106.9
52	D	49.8	Very low	56	Low	160 Å²	160	123.3 Å²	123.3	86%	0.856	70%	0.703	S	S	*	*	S	Bend	trans	157.8	40.8	149.9	-78.4	-13.9	0	0	0	114.3
53	D	45.6	Very low	53.8	Low	143 Å²	143	124 Å²	124	77%	0.765	72%	0.719	S	S	*	*			trans	-140.7	26.6	167.2	-108.1	-24.7	0	0	0	114.6	L55	D53-L55 PolarHBondContact O-N 3.07Å
54	Q	42.9	Very low	51.7	Low	184 Å²	184	121.5 Å²	121.5	86%	0.86	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	101.8	146.8	-172.5	-173.5	83.2	0	0	104.7
55	L	47.3	Very low	49.8	Very low	143 Å²	143	123.3 Å²	123.3	75%	0.749	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.9	27.9	149	-79.6	-176	0	0	0	115.9	D53 P57	D53-L55 PolarHBondContact O-N 3.07Å; L55-P57 WeakPolarHBondContact O-CD 3.31Å
56	L	42	Very low	48.4	Very low	154 Å²	154	123.6 Å²	123.6	81%	0.806	75%	0.753	S	S	*	*			trans	-111.2	86.5	154.7	-67.7	-178.1	0	0	0	111.6	G58	L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 2.79Å
57	P	50.1	Low	47.5	Very low	131 Å²	131	124.4 Å²	124.4	85%	0.851	77%	0.772	S	S	*	*			trans	-78.5	77.3	172.3	33.4	-31.3	0	0	0	108.9	L55	L55-P57 WeakPolarHBondContact O-CD 3.31Å
58	G	42.4	Very low	47.4	Very low	76 Å²	76	127.8 Å²	127.8	78%	0.784	79%	0.787	S	S	*	*	S	Bend	trans	161.7	72	176.4	0	0	0	0	0	115.4	L56	L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 2.79Å
59	G	35	Very low	48.5	Very low	79 Å²	79	126.7 Å²	126.7	81%	0.814	78%	0.784	S	S	*	*	S	Bend	trans	113.5	63.2	149.4	0	0	0	0	0	117.8
60	A	38.6	Very low	50.4	Low	81 Å²	81	121.9 Å²	121.9	67%	0.669	76%	0.762	S	S	*	*			trans	-167.3	41.9	144.9	0	0	0	0	0	112.3	R62	A60-R62 PolarHBondContact O-N 2.69Å
61	N	40.6	Very low	52.3	Low	151 Å²	151	115.1 Å²	115.1	81%	0.807	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	62	167.4	-158.3	9.8	0	0	0	110.2
62	R	44.7	Very low	54.4	Low	227 Å²	227	114.1 Å²	114.1	86%	0.857	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	3.6	179	-74.1	-164.8	-68.2	-140.8	-1.6	115.8	A60	A60-R62 PolarHBondContact O-N 2.69Å
63	S	46.4	Very low	56.3	Low	116 Å²	116	110.8 Å²	110.8	81%	0.811	70%	0.703	S	S	*	*	S	Bend	trans	-114.2	15.5	172.9	43	0	0	0	0	114	A65	S63-A65 VanDerWaalsContact C-N 3.28Å
64	A	46.6	Very low	58.4	Low	82 Å²	82	105.1 Å²	105.1	68%	0.678	68%	0.675	S	S	*	*			trans	-87	5.6	161.9	0	0	0	0	0	112.8	A66	A64-A66 PolarHBondContact O-N 2.86Å
65	A	48.4	Very low	60.6	Low	85 Å²	85	101.5 Å²	101.5	70%	0.702	67%	0.669	S	S	*	*	S	Bend	trans	-78.1	103.9	176.4	0	0	0	0	0	110.3	S63	S63-A65 VanDerWaalsContact C-N 3.28Å
66	A	52.7	Low	62.7	Low	104 Å²	104	99.3 Å²	99.3	86%	0.86	66%	0.658	S	S	*	*	S	Bend	trans	61	53.7	166.5	0	0	0	0	0	117.1	A64 S68	A64-A66 PolarHBondContact O-N 2.86Å; A66-S68 PolarHBondContact O-N 2.86Å
67	G	55.9	Low	65.2	Low	78 Å²	78	93.6 Å²	93.6	80%	0.804	63%	0.63	S	S	*	*				87.9	7.3	118.8	0	0	0	0	0	121.4	C69	G67-C69 PolarHBondContact O-N 3.01Å
68	S	62.5	Low	67.4	Low	118 Å²	118	91.4 Å²	91.4	83%	0.825	61%	0.614	S	S	*	*			trans	-85.9	95.1	172.6	76.3	0	0	0	0	111.1	A66	A66-S68 PolarHBondContact O-N 2.86Å
69	C	81.6	Confident	69.9	Low	94 Å²	94	90 Å²	90	64%	0.635	59%	0.588	S	S	*	*			trans	-56.3	136.4	163.2	-170.7	0	0	0	0	109.2	G67	G67-C69 PolarHBondContact O-N 3.01Å
70	H	89.3	Confident	72.7	Confident	77 Å²	77	86.5 Å²	86.5	36%	0.356	55%	0.551	S	S	.	*			trans	-65.7	139.4	179.5	-178.1	-96.9	0	0	0	109.7	L72 D73 Y83	H70-L72 VanDerWaalsContact CE1-CG 3.43Å; H70-L72 WeakPolarHBondContact CE1-CG 3.47Å; H70-L72 WeakPolarHBondContact ND1-CB 3.5Å; H70-L72 PolarHBondContact ND1-N 2.94Å; H70-L72 PolarHBondContact O-N 2.87Å; H70-L72 VanDerWaalsContact O-N 3.08Å; H70-D73 WeakPolarHBondContact CB-OD2 3.06Å; H70-D73 WeakPolarHBondContact O-CA 3.25Å; H70-D73 WeakPolarHBondContact O-CB 3.48Å; H70-D73 PolarHBondContact O-N 3.16Å; H70-Y83 AromaticContact CE1-CE1 3.69Å; H70-Y83 AromaticContact NE2-CE1 3.84Å; H70-Y83 AromaticContact NE2-CZ 3.7Å; H70-Y83 PolarHBondContact NE2-OH 3.14Å
71	P	89.5	Confident	75.5	Confident	44 Å²	44	83.2 Å²	83.2	29%	0.286	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-60.4	-24.9	-174.3	-27.8	36.4	0	0	0	115.2	D73 S74 Y83	P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.16Å; P71-S74 WeakPolarHBondContact O-CB 3.4Å; P71-S74 PolarHBondContact O-N 3.19Å; P71-Y83 HydrophobicContact CB-CD1 4.13Å; P71-Y83 HydrophobicContact CB-CD2 3.7Å; P71-Y83 HydrophobicContact CB-CE2 4.34Å; P71-Y83 HydrophobicContact CB-CG 3.55Å; P71-Y83 HydrophobicContact CG-CD2 3.65Å; P71-Y83 HydrophobicContact CG-CE2 3.94Å; P71-Y83 HydrophobicContact CG-CG 4.05Å
72	L	90.6	Very high	78.2	Confident	69 Å²	69	81.5 Å²	81.5	36%	0.361	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-73.5	-15.8	173.3	-62.6	-179.9	0	0	0	113.7	H70 S74 V80 Y83 V84	H70-L72 VanDerWaalsContact CE1-CG 3.43Å; H70-L72 WeakPolarHBondContact CE1-CG 3.47Å; H70-L72 WeakPolarHBondContact ND1-CB 3.5Å; H70-L72 PolarHBondContact ND1-N 2.94Å; H70-L72 PolarHBondContact O-N 2.87Å; H70-L72 VanDerWaalsContact O-N 3.08Å; L72-S74 VanDerWaalsContact C-N 3.34Å; L72-V80 HydrophobicContact CD2-CG1 3.88Å; L72-Y83 HydrophobicContact CD1-CD1 4.5Å; L72-Y83 HydrophobicContact CD1-CE1 4.23Å; L72-Y83 HydrophobicContact CD2-CD1 3.67Å; L72-Y83 HydrophobicContact CD2-CE1 4.22Å; L72-Y83 HydrophobicContact CG-CD1 3.74Å; L72-Y83 HydrophobicContact CG-CE1 3.84Å; L72-V84 HydrophobicContact CD2-CG2 3.82Å
73	D	88.7	Confident	80.6	Confident	91 Å²	91	74 Å²	74	49%	0.487	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-92.7	1	175.3	-60.4	-37.5	0	0	0	111.9	H70 P71 S75	H70-D73 WeakPolarHBondContact CB-OD2 3.06Å; H70-D73 WeakPolarHBondContact O-CA 3.25Å; H70-D73 WeakPolarHBondContact O-CB 3.48Å; H70-D73 PolarHBondContact O-N 3.16Å; P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.16Å; D73-S75 PolarHBondContact O-N 3.26Å
74	S	89.7	Confident	83	Confident	24 Å²	24	70.3 Å²	70.3	17%	0.168	45%	0.449	C	S	.	.			trans	-62.9	135.2	176.8	-176.2	0	0	0	0	110.8	H44 P71 L72 L76 D79	H44-S74 PolarHBondContact CE1-O 3.13Å; H44-S74 PolarHBondContact NE2-O 3.04Å; P71-S74 WeakPolarHBondContact O-CB 3.4Å; P71-S74 PolarHBondContact O-N 3.19Å; L72-S74 VanDerWaalsContact C-N 3.34Å; S74-L76 PolarHBondContact O-N 3.14Å; S74-L76 PolarHBondContact OG-N 2.65Å; S74-L76 VanDerWaalsContact OG-N 3.13Å; S74-D79 PolarHBondContact OG-OD2 3.27Å
75	S	89.1	Confident	85.3	Confident	107 Å²	107	67.4 Å²	67.4	75%	0.748	42%	0.422	S	S	*	.	S	Bend	trans	-69.2	-15.2	169.9	58.1	0	0	0	0	112.7	D73	D73-S75 PolarHBondContact O-N 3.26Å
76	L	92.2	Very high	87.6	Confident	98 Å²	98	67.9 Å²	67.9	51%	0.513	41%	0.41	S	S	.	.			trans	-87.6	109.9	175.2	-58.6	-179	0	0	0	110.4	S74 T78 D79 V80	S74-L76 PolarHBondContact O-N 3.14Å; S74-L76 PolarHBondContact OG-N 2.65Å; S74-L76 VanDerWaalsContact OG-N 3.13Å; L76-T78 PolarHBondContact O-N 3.45Å; L76-T78 VanDerWaalsContact O-N 3.1Å; L76-D79 HydrophobicContact CB-CB 4.41Å; L76-D79 PolarHBondContact O-N 3.25Å; L76-V80 PolarHBondContact O-N 2.84Å
77	T	94.8	Very high	89.7	Confident	34 Å²	34	64.9 Å²	64.9	21%	0.209	38%	0.381	C	S	.	.	H	α-helix	trans	-58.4	-25.9	178.9	51.8	0	0	0	0	113.4	L4 L41 H44 L81	L4-T77 HydrophobicContact CB-CG2 3.83Å; L4-T77 HydrophobicContact CD1-CG2 4.33Å; L4-T77 PolarHBondContact O-OG1 3.16Å; L41-T77 HydrophobicContact CD2-CG2 4.24Å; H44-T77 HydrophobicContact CB-CG2 4.33Å; T77-L81 WeakPolarHBondContact O-CB 3.45Å; T77-L81 PolarHBondContact O-N 3.26Å
78	T	95.8	Very high	91.6	Very high	84 Å²	84	65.1 Å²	65.1	52%	0.515	36%	0.358	S	S	.	.	H	α-helix	trans	-69.6	-37.2	175.3	48.4	0	0	0	0	112.8	A5 L76 R82	A5-T78 HydrophobicContact CB-CG2 4.18Å; L76-T78 PolarHBondContact O-N 3.45Å; L76-T78 VanDerWaalsContact O-N 3.1Å; T78-R82 WeakPolarHBondContact O-CB 3.25Å; T78-R82 PolarHBondContact O-N 2.94Å
79	D	94.2	Very high	93.2	Very high	46 Å²	46	62.1 Å²	62.1	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-42.2	175.6	-77.3	-36.4	0	0	0	111.1	S74 L76 R82 Y83	S74-D79 PolarHBondContact OG-OD2 3.27Å; L76-D79 HydrophobicContact CB-CB 4.41Å; L76-D79 PolarHBondContact O-N 3.25Å; D79-R82 PolarHBondContact O-N 2.82Å; D79-R82 IonicContact OD1-CZ 3.93Å; D79-R82 IonicContact OD1-NE 3.72Å; D79-R82 IonicContact OD1-NH2 3.23Å; D79-R82 PolarHBondContact OD1-NH2 3.23Å; D79-Y83 WeakPolarHBondContact O-CB 3.48Å; D79-Y83 PolarHBondContact O-N 2.97Å
80	V	95.2	Very high	93.9	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-59.6	-52.2	176.5	178.8	0	0	0	0	109.9	L41 H44 L72 L76 R82 Y83 V84	L41-V80 HydrophobicContact CD2-CB 4.36Å; L41-V80 HydrophobicContact CD2-CG1 4.22Å; H44-V80 WeakPolarHBondContact NE2-CG2 3.35Å; L72-V80 HydrophobicContact CD2-CG1 3.88Å; L76-V80 PolarHBondContact O-N 2.84Å; V80-R82 VanDerWaalsContact C-N 3.35Å; V80-R82 PolarHBondContact O-N 3.48Å; V80-Y83 PolarHBondContact O-N 3.37Å; V80-V84 WeakPolarHBondContact O-CG2 3.34Å; V80-V84 PolarHBondContact O-N 2.87Å
81	L	96.9	Very high	94.2	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.058	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-43.4	178.8	-179.8	58.5	0	0	0	111.6	A5 L6 L41 T77 V84 L85	A5-L81 HydrophobicContact CB-CB 4.16Å; A5-L81 HydrophobicContact CB-CD2 3.82Å; L6-L81 VanDerWaalsContact C-CD2 3.47Å; L41-L81 HydrophobicContact CB-CB 4.35Å; L41-L81 HydrophobicContact CB-CD1 4.36Å; L41-L81 HydrophobicContact CB-CD2 4.4Å; T77-L81 WeakPolarHBondContact O-CB 3.45Å; T77-L81 PolarHBondContact O-N 3.26Å; L81-V84 PolarHBondContact O-N 2.88Å; L81-L85 HydrophobicContact CD1-CD1 4.11Å; L81-L85 HydrophobicContact CD1-CG 4.1Å; L81-L85 HydrophobicContact CG-CD1 4.13Å; L81-L85 HydrophobicContact CG-CG 4.48Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 3.47Å
82	R	96.6	Very high	94.5	Very high	116 Å²	116	58 Å²	58	44%	0.438	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-49.8	177.1	179	177.1	61.7	74.7	0.4	111	T78 D79 V80 V84 L85 E86	T78-R82 WeakPolarHBondContact O-CB 3.25Å; T78-R82 PolarHBondContact O-N 2.94Å; D79-R82 PolarHBondContact O-N 2.82Å; D79-R82 IonicContact OD1-CZ 3.93Å; D79-R82 IonicContact OD1-NE 3.72Å; D79-R82 IonicContact OD1-NH2 3.23Å; D79-R82 PolarHBondContact OD1-NH2 3.23Å; V80-R82 VanDerWaalsContact C-N 3.35Å; V80-R82 PolarHBondContact O-N 3.48Å; R82-V84 PolarHBondContact O-N 3.26Å; R82-L85 PolarHBondContact O-N 3.46Å; R82-E86 WeakPolarHBondContact CD-OE1 3.49Å; R82-E86 HydrophobicContact CG-CG 4.36Å; R82-E86 WeakPolarHBondContact CG-OE1 3.31Å; R82-E86 IonicContact CZ-OE1 3.97Å; R82-E86 IonicContact NH1-OE1 3.95Å; R82-E86 PolarHBondContact NH1-OE1 3.17Å; R82-E86 IonicContact NH1-OE2 2.97Å; R82-E86 PolarHBondContact NH1-OE2 3.26Å; R82-E86 WeakPolarHBondContact O-CB 3.41Å; R82-E86 WeakPolarHBondContact O-CG 3.47Å; R82-E86 PolarHBondContact O-N 3.42Å
83	Y	96.2	Very high	94.7	Very high	68 Å²	68	60.2 Å²	60.2	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-42.1	178.9	179.1	-105.4	0	0	0	112.7	H70 P71 L72 D79 V80 E86 T87	H70-Y83 AromaticContact CE1-CE1 3.69Å; H70-Y83 AromaticContact NE2-CE1 3.84Å; H70-Y83 AromaticContact NE2-CZ 3.7Å; H70-Y83 PolarHBondContact NE2-OH 3.14Å; P71-Y83 HydrophobicContact CB-CD1 4.13Å; P71-Y83 HydrophobicContact CB-CD2 3.7Å; P71-Y83 HydrophobicContact CB-CE2 4.34Å; P71-Y83 HydrophobicContact CB-CG 3.55Å; P71-Y83 HydrophobicContact CG-CD2 3.65Å; P71-Y83 HydrophobicContact CG-CE2 3.94Å; P71-Y83 HydrophobicContact CG-CG 4.05Å; L72-Y83 HydrophobicContact CD1-CD1 4.5Å; L72-Y83 HydrophobicContact CD1-CE1 4.23Å; L72-Y83 HydrophobicContact CD2-CD1 3.67Å; L72-Y83 HydrophobicContact CD2-CE1 4.22Å; L72-Y83 HydrophobicContact CG-CD1 3.74Å; L72-Y83 HydrophobicContact CG-CE1 3.84Å; D79-Y83 WeakPolarHBondContact O-CB 3.48Å; D79-Y83 PolarHBondContact O-N 2.97Å; V80-Y83 PolarHBondContact O-N 3.37Å; Y83-E86 PolarHBondContact O-N 3.23Å; Y83-T87 VanDerWaalsContact O-CB 3.26Å; Y83-T87 WeakPolarHBondContact O-CB 3.15Å; Y83-T87 PolarHBondContact O-N 2.9Å; Y83-T87 PolarHBondContact O-OG1 3.27Å
84	V	95.7	Very high	95	Very high	39 Å²	39	61.9 Å²	61.9	24%	0.236	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-46.4	176.2	170.3	0	0	0	0	111	L72 V80 L81 R82 T87 Y88	L72-V84 HydrophobicContact CD2-CG2 3.82Å; V80-V84 WeakPolarHBondContact O-CG2 3.34Å; V80-V84 PolarHBondContact O-N 2.87Å; L81-V84 PolarHBondContact O-N 2.88Å; R82-V84 PolarHBondContact O-N 3.26Å; V84-T87 PolarHBondContact O-N 3.28Å; V84-Y88 HydrophobicContact CG1-CD1 4.33Å; V84-Y88 HydrophobicContact CG1-CD2 4.4Å; V84-Y88 HydrophobicContact CG1-CE1 4.06Å; V84-Y88 HydrophobicContact CG1-CE2 4.13Å; V84-Y88 WeakPolarHBondContact O-CB 3.46Å; V84-Y88 WeakPolarHBondContact O-CD1 3.17Å; V84-Y88 PolarHBondContact O-N 3.49Å
85	L	96.6	Very high	95.1	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-68.1	-40.6	-179.8	-65.9	178.4	0	0	0	112.3	L81 R82 T87 Y88 N89	L81-L85 HydrophobicContact CD1-CD1 4.11Å; L81-L85 HydrophobicContact CD1-CG 4.1Å; L81-L85 HydrophobicContact CG-CD1 4.13Å; L81-L85 HydrophobicContact CG-CG 4.48Å; L81-L85 WeakPolarHBondContact O-CG 3.44Å; L81-L85 PolarHBondContact O-N 3.47Å; R82-L85 PolarHBondContact O-N 3.46Å; L85-T87 VanDerWaalsContact C-N 3.35Å; L85-Y88 PolarHBondContact O-N 2.88Å; L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.3Å; L85-N89 PolarHBondContact O-N 3.37Å
86	E	96.5	Very high	95.3	Very high	94 Å²	94	60.3 Å²	60.3	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-45.3	172.8	-74.9	170.6	-175.7	0	0	111	R82 Y83 N89 A90	R82-E86 WeakPolarHBondContact CD-OE1 3.49Å; R82-E86 HydrophobicContact CG-CG 4.36Å; R82-E86 WeakPolarHBondContact CG-OE1 3.31Å; R82-E86 IonicContact CZ-OE1 3.97Å; R82-E86 IonicContact NH1-OE1 3.95Å; R82-E86 PolarHBondContact NH1-OE1 3.17Å; R82-E86 IonicContact NH1-OE2 2.97Å; R82-E86 PolarHBondContact NH1-OE2 3.26Å; R82-E86 WeakPolarHBondContact O-CB 3.41Å; R82-E86 WeakPolarHBondContact O-CG 3.47Å; R82-E86 PolarHBondContact O-N 3.42Å; Y83-E86 PolarHBondContact O-N 3.23Å; E86-N89 WeakPolarHBondContact O-CB 3.28Å; E86-N89 PolarHBondContact O-N 2.85Å; E86-A90 PolarHBondContact O-N 3.13Å
87	T	96.2	Very high	95.3	Very high	42 Å²	42	58.4 Å²	58.4	26%	0.258	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-43.1	177.2	-59	0	0	0	0	111.2	Y83 V84 L85 N89 A90 L91	Y83-T87 VanDerWaalsContact O-CB 3.26Å; Y83-T87 WeakPolarHBondContact O-CB 3.15Å; Y83-T87 PolarHBondContact O-N 2.9Å; Y83-T87 PolarHBondContact O-OG1 3.27Å; V84-T87 PolarHBondContact O-N 3.28Å; L85-T87 VanDerWaalsContact C-N 3.35Å; T87-N89 VanDerWaalsContact C-N 3.32Å; T87-N89 PolarHBondContact O-N 3.49Å; T87-A90 PolarHBondContact O-N 3.04Å; T87-L91 HydrophobicContact CG2-CD1 3.79Å; T87-L91 HydrophobicContact CG2-CG 4.17Å; T87-L91 WeakPolarHBondContact O-CB 3.33Å; T87-L91 VanDerWaalsContact O-CG 3.25Å; T87-L91 WeakPolarHBondContact O-CG 3.32Å; T87-L91 PolarHBondContact O-N 3.39Å
88	Y	95.8	Very high	95.2	Very high	82 Å²	82	64.7 Å²	64.7	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-41.1	175.8	-80.1	13.2	0	0	0	111.6	V84 L85 L91 S92 P108 H110 I111	V84-Y88 HydrophobicContact CG1-CD1 4.33Å; V84-Y88 HydrophobicContact CG1-CD2 4.4Å; V84-Y88 HydrophobicContact CG1-CE1 4.06Å; V84-Y88 HydrophobicContact CG1-CE2 4.13Å; V84-Y88 WeakPolarHBondContact O-CB 3.46Å; V84-Y88 WeakPolarHBondContact O-CD1 3.17Å; V84-Y88 PolarHBondContact O-N 3.49Å; L85-Y88 PolarHBondContact O-N 2.88Å; Y88-L91 PolarHBondContact O-N 3.02Å; Y88-S92 WeakPolarHBondContact O-CB 3.37Å; Y88-S92 PolarHBondContact O-N 2.84Å; Y88-P108 HydrophobicContact CD1-CG 4Å; Y88-P108 HydrophobicContact CD2-CG 4Å; Y88-P108 HydrophobicContact CE1-CG 4.4Å; Y88-P108 HydrophobicContact CE2-CG 4.4Å; Y88-P108 HydrophobicContact CG-CG 3.78Å; Y88-H110 AromaticContact CE1-CE1 3.82Å; Y88-H110 AromaticContact CZ-NE2 3.86Å; Y88-I111 HydrophobicContact CD2-CD1 4.37Å; Y88-I111 HydrophobicContact CE2-CD1 4.04Å
89	N	95.4	Very high	95.1	Very high	55 Å²	55	70.1 Å²	70.1	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-43	174.3	-179.5	73.6	0	0	0	111.5	L9 L85 E86 T87 S92 W93 R103	L9-N89 HydrophobicContact CD1-CB 4.38Å; L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.3Å; L85-N89 PolarHBondContact O-N 3.37Å; E86-N89 WeakPolarHBondContact O-CB 3.28Å; E86-N89 PolarHBondContact O-N 2.85Å; T87-N89 VanDerWaalsContact C-N 3.32Å; T87-N89 PolarHBondContact O-N 3.49Å; N89-S92 PolarHBondContact O-OG 3.41Å; N89-W93 VanDerWaalsContact O-CD1 3.32Å; N89-R103 PolarHBondContact O-NH1 3.03Å; N89-R103 PolarHBondContact OD1-NH1 3.34Å; N89-R103 PolarHBondContact OD1-NH2 3.45Å; N89-R103 VanDerWaalsContact OD1-NH2 3.16Å
90	A	96	Very high	95	Very high	60 Å²	60	72.6 Å²	72.6	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-65	-48.4	175.6	0	0	0	0	0	111.8	E86 T87 S92 W93	E86-A90 PolarHBondContact O-N 3.13Å; T87-A90 PolarHBondContact O-N 3.04Å; A90-S92 PolarHBondContact O-N 2.95Å; A90-W93 WeakPolarHBondContact O-CB 3.39Å; A90-W93 PolarHBondContact O-N 3.17Å; A90-W93 VanDerWaalsContact O-N 3.14Å
91	L	95.9	Very high	94.8	Very high	69 Å²	69	75 Å²	75	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-20.8	-179.2	-68.6	177.2	0	0	0	113.6	T87 Y88 W93 L94 P108	T87-L91 HydrophobicContact CG2-CD1 3.79Å; T87-L91 HydrophobicContact CG2-CG 4.17Å; T87-L91 WeakPolarHBondContact O-CB 3.33Å; T87-L91 VanDerWaalsContact O-CG 3.25Å; T87-L91 WeakPolarHBondContact O-CG 3.32Å; T87-L91 PolarHBondContact O-N 3.39Å; Y88-L91 PolarHBondContact O-N 3.02Å; L91-W93 PolarHBondContact O-N 2.96Å; L91-L94 HydrophobicContact CD2-CD1 3.81Å; L91-L94 WeakPolarHBondContact O-CB 3.35Å; L91-L94 WeakPolarHBondContact O-CG 3.46Å; L91-L94 PolarHBondContact O-N 3.19Å; L91-L94 VanDerWaalsContact O-N 3.16Å; L91-P108 HydrophobicContact CB-CB 4.04Å
92	S	95.7	Very high	94.6	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-27.4	173.3	73.6	0	0	0	0	112.6	Y88 N89 A90 L94 S95 R103 F107	Y88-S92 WeakPolarHBondContact O-CB 3.37Å; Y88-S92 PolarHBondContact O-N 2.84Å; N89-S92 PolarHBondContact O-OG 3.41Å; A90-S92 PolarHBondContact O-N 2.95Å; S92-L94 PolarHBondContact O-N 3.43Å; S92-S95 PolarHBondContact O-N 3.45Å; S92-R103 WeakPolarHBondContact OG-CD 3.48Å; S92-R103 PolarHBondContact OG-NH1 3.5Å; S92-F107 WeakPolarHBondContact CB-O 3.43Å
93	W	95.1	Very high	94.5	Very high	116 Å²	116	72 Å²	72	44%	0.439	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.6	176.2	-71.9	96.8	0	0	0	114	N89 A90 L91 S95 L96 R103	N89-W93 VanDerWaalsContact O-CD1 3.32Å; A90-W93 WeakPolarHBondContact O-CB 3.39Å; A90-W93 PolarHBondContact O-N 3.17Å; A90-W93 VanDerWaalsContact O-N 3.14Å; L91-W93 PolarHBondContact O-N 2.96Å; W93-S95 PolarHBondContact O-N 2.93Å; W93-L96 HydrophobicContact CE3-CD2 3.63Å; W93-L96 HydrophobicContact CZ3-CD2 4.15Å; W93-L96 WeakPolarHBondContact O-CD2 3.26Å; W93-L96 VanDerWaalsContact O-CG 3.24Å; W93-L96 WeakPolarHBondContact O-CG 3.35Å; W93-R103 HydrophobicContact CD2-CB 4.39Å; W93-R103 HydrophobicContact CE3-CB 4.27Å
94	L	94.5	Very high	94.4	Very high	126 Å²	126	75.6 Å²	75.6	66%	0.66	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.8	172.2	-61.6	177.4	0	0	0	112.7	L91 S92	L91-L94 HydrophobicContact CD2-CD1 3.81Å; L91-L94 WeakPolarHBondContact O-CB 3.35Å; L91-L94 WeakPolarHBondContact O-CG 3.46Å; L91-L94 PolarHBondContact O-N 3.19Å; L91-L94 VanDerWaalsContact O-N 3.16Å; S92-L94 PolarHBondContact O-N 3.43Å
95	S	92.5	Very high	94.4	Very high	11 Å²	11	73.9 Å²	73.9	8%	0.077	38%	0.382	C	S	.	.	S	Bend	trans	-111	79.2	177	-169.4	0	0	0	0	109.4	S92 W93 R103 R104 Q112	S92-S95 PolarHBondContact O-N 3.45Å; W93-S95 PolarHBondContact O-N 2.93Å; S95-R103 CarbonylContact O-C 3.4Å; S95-R103 WeakPolarHBondContact O-CA 3.48Å; S95-R104 PolarHBondContact O-N 2.75Å; S95-Q112 PolarHBondContact OG-OE1 3.45Å; S95-Q112 VanDerWaalsContact OG-OE1 3.1Å
96	L	93.8	Very high	94.3	Very high	87 Å²	87	72.9 Å²	72.9	46%	0.455	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-85.2	144.1	179.9	-64.9	175	0	0	0	112.3	W93	W93-L96 HydrophobicContact CE3-CD2 3.63Å; W93-L96 HydrophobicContact CZ3-CD2 4.15Å; W93-L96 WeakPolarHBondContact O-CD2 3.26Å; W93-L96 VanDerWaalsContact O-CG 3.24Å; W93-L96 WeakPolarHBondContact O-CG 3.35Å
97	D	93	Very high	94.3	Very high	57 Å²	57	69.2 Å²	69.2	31%	0.305	36%	0.359	S	S	.	.			trans	-92.3	110.8	159.2	-171.3	-19.7	0	0	0	108.5	K99 T100 G101 D102 R104	D97-K99 PolarHBondContact O-N 3.32Å; D97-K99 VanDerWaalsContact O-N 3.15Å; D97-K99 WeakPolarHBondContact OD1-CB 3.39Å; D97-K99 PolarHBondContact OD1-N 3.39Å; D97-T100 WeakPolarHBondContact CB-OG1 3.39Å; D97-T100 PolarHBondContact O-N 2.89Å; D97-G101 WeakPolarHBondContact O-CA 3.32Å; D97-G101 PolarHBondContact O-N 3.47Å; D97-D102 PolarHBondContact N-O 3.3Å; D97-R104 HydrophobicContact CB-CG 3.9Å
98	L	91.6	Very high	94.3	Very high	167 Å²	167	67.2 Å²	67.2	87%	0.874	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.2	-178.7	-60.3	177	0	0	0	113.1
99	K	93.6	Very high	94.2	Very high	198 Å²	198	67.6 Å²	67.6	86%	0.861	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-40.6	178.5	-62.8	-175.1	179	-175.3	0	112.4	D97	D97-K99 PolarHBondContact O-N 3.32Å; D97-K99 VanDerWaalsContact O-N 3.15Å; D97-K99 WeakPolarHBondContact OD1-CB 3.39Å; D97-K99 PolarHBondContact OD1-N 3.39Å
100	T	91.7	Very high	94.2	Very high	98 Å²	98	69 Å²	69	60%	0.601	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-19.3	-179.2	64.9	0	0	0	0	112.4	D97 D102	D97-T100 WeakPolarHBondContact CB-OG1 3.39Å; D97-T100 PolarHBondContact O-N 2.89Å; T100-D102 PolarHBondContact O-N 2.85Å; T100-D102 PolarHBondContact OG1-N 3.38Å
101	G	92.5	Very high	94.1	Very high	57 Å²	57	68.3 Å²	68.3	59%	0.588	35%	0.346	S	S	*	.	S	Bend	trans	72.3	6.3	-171.6	0	0	0	0	0	113.6	D97	D97-G101 WeakPolarHBondContact O-CA 3.32Å; D97-G101 PolarHBondContact O-N 3.47Å
102	D	92.1	Very high	94.1	Very high	49 Å²	49	65.8 Å²	65.8	26%	0.262	33%	0.333	S	S	.	.	S	Bend	trans	-106.7	162.9	-179.5	-162.1	7.1	0	0	0	111	D97 T100	D97-D102 PolarHBondContact N-O 3.3Å; T100-D102 PolarHBondContact O-N 2.85Å; T100-D102 PolarHBondContact OG1-N 3.38Å
103	R	93.9	Very high	94	Very high	15 Å²	15	68.1 Å²	68.1	6%	0.057	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-65.9	139.8	171.4	64.5	-175.2	176	-169.8	2.3	110.9	S11 A13 N89 S92 W93 S95 S105	S11-R103 PolarHBondContact OG-NH2 2.76Å; A13-R103 HydrophobicContact CB-CG 3.39Å; N89-R103 PolarHBondContact O-NH1 3.03Å; N89-R103 PolarHBondContact OD1-NH1 3.34Å; N89-R103 PolarHBondContact OD1-NH2 3.45Å; N89-R103 VanDerWaalsContact OD1-NH2 3.16Å; S92-R103 WeakPolarHBondContact OG-CD 3.48Å; S92-R103 PolarHBondContact OG-NH1 3.5Å; W93-R103 HydrophobicContact CD2-CB 4.39Å; W93-R103 HydrophobicContact CE3-CB 4.27Å; S95-R103 CarbonylContact O-C 3.4Å; S95-R103 WeakPolarHBondContact O-CA 3.48Å; R103-S105 VanDerWaalsContact C-N 3.26Å; R103-S105 PolarHBondContact O-N 3.48Å
104	R	94.3	Very high	94.1	Very high	144 Å²	144	67.9 Å²	67.9	54%	0.543	36%	0.359	S	S	.	.	S	Bend	trans	-68.1	-24.6	-179.9	-65.3	-178.7	70.2	-175.6	3.6	113.6	S95 D97	S95-R104 PolarHBondContact O-N 2.75Å; D97-R104 HydrophobicContact CB-CG 3.9Å
105	S	95.7	Very high	94.1	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.014	33%	0.332	C	S	.	.			trans	-152.8	151.1	-178.4	171.9	0	0	0	0	110.6	P14 T15 R103 F107	P14-S105 CarbonylContact O-C 3.52Å; P14-S105 WeakPolarHBondContact O-CA 3.16Å; T15-S105 PolarHBondContact O-OG 3.18Å; R103-S105 VanDerWaalsContact C-N 3.26Å; R103-S105 PolarHBondContact O-N 3.48Å; S105-F107 PolarHBondContact O-N 2.85Å; S105-F107 PolarHBondContact OG-N 3.34Å
106	C	95.7	Very high	94.2	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.007	35%	0.35	C	S	.	.	S	Bend	trans	-71.8	-8.8	169.8	69.9	0	0	0	0	113.8	S11 P14	S11-C106 VanDerWaalsContact CB-CB 3.45Å; S11-C106 WeakPolarHBondContact OG-CB 3.47Å; P14-C106 PolarHBondContact O-N 2.89Å
107	F	96.3	Very high	94.3	Very high	17 Å²	17	68.8 Å²	68.8	8%	0.075	36%	0.356	C	S	.	.	S	Bend	trans	-93.2	148.2	179.7	-65	-55.4	0	0	0	112.6	T15 V18 F22 L37 S92 S105 I111 Q112	T15-F107 HydrophobicContact CG2-CE2 3.62Å; T15-F107 HydrophobicContact CG2-CZ 3.9Å; T15-F107 WeakPolarHBondContact O-CD2 3.44Å; V18-F107 HydrophobicContact CG1-CD2 4.17Å; V18-F107 HydrophobicContact CG1-CE2 3.71Å; F22-F107 HydrophobicContact CE1-CZ 4.03Å; F22-F107 HydrophobicContact CE2-CZ 4.04Å; F22-F107 HydrophobicContact CZ-CE1 4.24Å; F22-F107 HydrophobicContact CZ-CE2 4.23Å; F22-F107 AromaticContact CZ-CZ 3.44Å; F22-F107 HydrophobicContact CZ-CZ 3.44Å; F22-F107 VanDerWaalsContact CZ-CZ 3.44Å; L37-F107 HydrophobicContact CD1-CE1 3.37Å; L37-F107 HydrophobicContact CD1-CZ 3.4Å; S92-F107 WeakPolarHBondContact CB-O 3.43Å; S105-F107 PolarHBondContact O-N 2.85Å; S105-F107 PolarHBondContact OG-N 3.34Å; F107-I111 HydrophobicContact CB-CB 4.03Å; F107-I111 HydrophobicContact CB-CG2 3.87Å; F107-I111 HydrophobicContact CD1-CD1 4.33Å; F107-I111 HydrophobicContact CD1-CG2 4.17Å; F107-I111 HydrophobicContact CD2-CG2 4.21Å; F107-I111 HydrophobicContact CG-CB 4.48Å; F107-I111 HydrophobicContact CG-CG2 3.83Å; F107-Q112 HydrophobicContact CB-CG 4.34Å; F107-Q112 PolarHBondContact O-NE2 2.88Å
108	P	95	Very high	94.4	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.006	36%	0.358	C	S	.	.			trans	-63.3	159.9	170.6	30.2	-38.3	0	0	0	111.7	Y88 L91 H110 I111 Q112	Y88-P108 HydrophobicContact CD1-CG 4Å; Y88-P108 HydrophobicContact CD2-CG 4Å; Y88-P108 HydrophobicContact CE1-CG 4.4Å; Y88-P108 HydrophobicContact CE2-CG 4.4Å; Y88-P108 HydrophobicContact CG-CG 3.78Å; L91-P108 HydrophobicContact CB-CB 4.04Å; P108-H110 VanDerWaalsContact C-N 3.28Å; P108-H110 WeakPolarHBondContact CG-CE1 3.5Å; P108-H110 PolarHBondContact O-N 3.35Å; P108-H110 VanDerWaalsContact O-N 3.17Å; P108-I111 HydrophobicContact CG-CB 4.39Å; P108-I111 HydrophobicContact CG-CD1 3.86Å; P108-I111 HydrophobicContact CG-CG1 3.98Å; P108-I111 PolarHBondContact O-N 3Å; P108-I111 VanDerWaalsContact O-N 3.13Å; P108-Q112 PolarHBondContact O-N 2.93Å
109	L	93.9	Very high	94.5	Very high	89 Å²	89	67.6 Å²	67.6	47%	0.466	34%	0.336	S	S	.	.	H	α-helix	trans	-54	-39.8	-173.2	-175.1	66.1	0	0	0	113.8	I111 Q112 A113	L109-I111 PolarHBondContact O-N 3.43Å; L109-Q112 WeakPolarHBondContact O-CB 3.5Å; L109-Q112 PolarHBondContact O-N 3.42Å; L109-A113 PolarHBondContact O-N 3Å
110	H	94.6	Very high	94.5	Very high	86 Å²	86	60.9 Å²	60.9	40%	0.398	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-37.8	-178.2	62.8	-90.3	0	0	0	112.5	Y88 P108 A113 L114	Y88-H110 AromaticContact CE1-CE1 3.82Å; Y88-H110 AromaticContact CZ-NE2 3.86Å; P108-H110 VanDerWaalsContact C-N 3.28Å; P108-H110 WeakPolarHBondContact CG-CE1 3.5Å; P108-H110 PolarHBondContact O-N 3.35Å; P108-H110 VanDerWaalsContact O-N 3.17Å; H110-A113 PolarHBondContact O-N 3.36Å; H110-L114 WeakPolarHBondContact O-CG 3.48Å; H110-L114 PolarHBondContact O-N 2.93Å
111	I	95	Very high	94.7	Very high	44 Å²	44	61.7 Å²	61.7	23%	0.226	32%	0.316	C	S	.	.	H	α-helix	trans	-67.9	-38.6	175.1	-65.4	-176.5	0	0	0	110.7	Y88 F107 P108 L109 A113 L114 S115	Y88-I111 HydrophobicContact CD2-CD1 4.37Å; Y88-I111 HydrophobicContact CE2-CD1 4.04Å; F107-I111 HydrophobicContact CB-CB 4.03Å; F107-I111 HydrophobicContact CB-CG2 3.87Å; F107-I111 HydrophobicContact CD1-CD1 4.33Å; F107-I111 HydrophobicContact CD1-CG2 4.17Å; F107-I111 HydrophobicContact CD2-CG2 4.21Å; F107-I111 HydrophobicContact CG-CB 4.48Å; F107-I111 HydrophobicContact CG-CG2 3.83Å; P108-I111 HydrophobicContact CG-CB 4.39Å; P108-I111 HydrophobicContact CG-CD1 3.86Å; P108-I111 HydrophobicContact CG-CG1 3.98Å; P108-I111 PolarHBondContact O-N 3Å; P108-I111 VanDerWaalsContact O-N 3.13Å; L109-I111 PolarHBondContact O-N 3.43Å; I111-A113 VanDerWaalsContact C-N 3.32Å; I111-A113 PolarHBondContact O-N 3.01Å; I111-L114 PolarHBondContact O-N 3.23Å; I111-S115 WeakPolarHBondContact O-CB 3.43Å; I111-S115 PolarHBondContact O-N 3.17Å; I111-S115 PolarHBondContact O-OG 2.94Å
112	Q	94.9	Very high	94.8	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-41.3	173.6	-61	178.2	41.1	0	0	111.2	S95 F107 P108 L109 S115 R116	S95-Q112 PolarHBondContact OG-OE1 3.45Å; S95-Q112 VanDerWaalsContact OG-OE1 3.1Å; F107-Q112 HydrophobicContact CB-CG 4.34Å; F107-Q112 PolarHBondContact O-NE2 2.88Å; P108-Q112 PolarHBondContact O-N 2.93Å; L109-Q112 WeakPolarHBondContact O-CB 3.5Å; L109-Q112 PolarHBondContact O-N 3.42Å; Q112-S115 PolarHBondContact O-N 3.3Å; Q112-R116 VanDerWaalsContact O-CG 3.31Å; Q112-R116 WeakPolarHBondContact O-CG 3.42Å; Q112-R116 PolarHBondContact O-N 3.35Å
113	A	95	Very high	94.8	Very high	49 Å²	49	63.2 Å²	63.2	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-45.8	177	0	0	0	0	0	111.9	L109 H110 I111 S115 R116 L117	L109-A113 PolarHBondContact O-N 3Å; H110-A113 PolarHBondContact O-N 3.36Å; I111-A113 VanDerWaalsContact C-N 3.32Å; I111-A113 PolarHBondContact O-N 3.01Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 3.27Å; A113-R116 WeakPolarHBondContact O-CB 3.43Å; A113-R116 PolarHBondContact O-N 2.9Å; A113-L117 PolarHBondContact O-N 2.98Å
114	L	95.9	Very high	94.9	Very high	111 Å²	111	68 Å²	68	58%	0.581	34%	0.335	S	S	*	.	H	α-helix	trans	-59	-42.7	174.4	-72.9	173.5	0	0	0	111.9	H110 I111 R116 L117 Y118	H110-L114 WeakPolarHBondContact O-CG 3.48Å; H110-L114 PolarHBondContact O-N 2.93Å; I111-L114 PolarHBondContact O-N 3.23Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 2.86Å; L114-L117 PolarHBondContact O-N 2.91Å; L114-Y118 WeakPolarHBondContact O-CB 3.45Å; L114-Y118 PolarHBondContact O-N 3.01Å
115	S	95.1	Very high	94.9	Very high	15 Å²	15	68.4 Å²	68.4	11%	0.105	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-38.6	177.2	-57.6	0	0	0	0	112	I111 Q112 A113 R119	I111-S115 WeakPolarHBondContact O-CB 3.43Å; I111-S115 PolarHBondContact O-N 3.17Å; I111-S115 PolarHBondContact O-OG 2.94Å; Q112-S115 PolarHBondContact O-N 3.3Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 3.27Å; S115-R119 VanDerWaalsContact O-CG 3.3Å; S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 3.43Å
116	R	94.5	Very high	94.6	Very high	121 Å²	121	76.3 Å²	76.3	46%	0.457	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-44.1	175	-69.2	169.6	-165.2	166	7	111.8	Q112 A113 L114 R119 A120	Q112-R116 VanDerWaalsContact O-CG 3.31Å; Q112-R116 WeakPolarHBondContact O-CG 3.42Å; Q112-R116 PolarHBondContact O-N 3.35Å; A113-R116 WeakPolarHBondContact O-CB 3.43Å; A113-R116 PolarHBondContact O-N 2.9Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 2.86Å; R116-R119 PolarHBondContact O-N 3.43Å; R116-A120 PolarHBondContact O-N 3.49Å
117	L	96.1	Very high	93.4	Very high	108 Å²	108	89.1 Å²	89.1	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-61.1	-46.4	177.5	179.6	62	0	0	0	111.3	A113 L114 R119 A120 M121	A113-L117 PolarHBondContact O-N 2.98Å; L114-L117 PolarHBondContact O-N 2.91Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 3.23Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.37Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.32Å
118	Y	95.7	Very high	93.3	Very high	92 Å²	92	92.8 Å²	92.8	36%	0.361	44%	0.442	S	S	.	.	H	α-helix	trans	-54.7	-49.1	175.5	176.6	-87.2	0	0	0	111.6	P19 W21 L114 A120 M121 E122	P19-Y118 HydrophobicContact CB-CD1 3.81Å; P19-Y118 HydrophobicContact CB-CE1 3.55Å; P19-Y118 HydrophobicContact CG-CD1 3.38Å; P19-Y118 HydrophobicContact CG-CE1 3.69Å; P19-Y118 HydrophobicContact CG-CG 3.86Å; W21-Y118 AromaticContact CD1-CZ 3.74Å; W21-Y118 AromaticContact NE1-CE1 3.91Å; W21-Y118 AromaticContact NE1-CE2 3.5Å; W21-Y118 AromaticContact NE1-CZ 3.35Å; W21-Y118 PolarHBondContact NE1-OH 3.18Å; L114-Y118 WeakPolarHBondContact O-CB 3.45Å; L114-Y118 PolarHBondContact O-N 3.01Å; Y118-A120 VanDerWaalsContact C-N 3.33Å; Y118-A120 PolarHBondContact O-N 2.85Å; Y118-M121 PolarHBondContact O-N 3.49Å; Y118-E122 HydrophobicContact CE1-CB 4.42Å; Y118-E122 WeakPolarHBondContact O-CB 3.49Å; Y118-E122 PolarHBondContact O-N 3.5Å
119	R	93.1	Very high	93.2	Very high	106 Å²	106	97.6 Å²	97.6	40%	0.4	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-36.6	179.5	-70.5	175.8	67.9	-149	-0.3	112.7	S115 R116 L117 E122 N123	S115-R119 VanDerWaalsContact O-CG 3.3Å; S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 3.43Å; R116-R119 PolarHBondContact O-N 3.43Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 3.23Å; R119-E122 PolarHBondContact O-N 3.18Å; R119-N123 WeakPolarHBondContact O-CB 3.5Å; R119-N123 PolarHBondContact O-N 3.26Å; R119-N123 PolarHBondContact O-ND2 3.08Å
120	A	94.8	Very high	93.2	Very high	57 Å²	57	98.1 Å²	98.1	47%	0.471	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-43.9	175	0	0	0	0	0	111.2	R116 L117 Y118 N123 L124	R116-A120 PolarHBondContact O-N 3.49Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.37Å; Y118-A120 VanDerWaalsContact C-N 3.33Å; Y118-A120 PolarHBondContact O-N 2.85Å; A120-N123 PolarHBondContact O-N 3.1Å; A120-L124 PolarHBondContact O-N 3.13Å
121	M	95.4	Very high	93.1	Very high	116 Å²	116	98.8 Å²	98.8	57%	0.571	47%	0.469	S	S	*	.	H	α-helix	trans	-64.7	-43.1	175.5	-70	-61.6	-64.3	0	0	112.2	L117 Y118 N123 L124 L125	L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.32Å; Y118-M121 PolarHBondContact O-N 3.49Å; M121-N123 VanDerWaalsContact C-N 3.34Å; M121-N123 PolarHBondContact O-N 3.24Å; M121-L124 WeakPolarHBondContact O-CB 3.36Å; M121-L124 PolarHBondContact O-N 3.13Å; M121-L125 WeakPolarHBondContact O-CB 3.5Å; M121-L125 PolarHBondContact O-N 2.83Å
122	E	93.2	Very high	93	Very high	48 Å²	48	102.2 Å²	102.2	22%	0.224	48%	0.484	C	S	.	.	H	α-helix	trans	-62.7	-41.1	177.3	-167.3	-173.1	-152.6	0	0	111.7	Y118 R119 L124 L125 R126	Y118-E122 HydrophobicContact CE1-CB 4.42Å; Y118-E122 WeakPolarHBondContact O-CB 3.49Å; Y118-E122 PolarHBondContact O-N 3.5Å; R119-E122 PolarHBondContact O-N 3.18Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.09Å; E122-L125 PolarHBondContact O-N 2.9Å; E122-R126 VanDerWaalsContact CD-CZ 3.41Å; E122-R126 VanDerWaalsContact CD-NH2 3.33Å; E122-R126 VanDerWaalsContact CG-NH1 3.33Å; E122-R126 WeakPolarHBondContact O-CB 3.34Å; E122-R126 WeakPolarHBondContact O-CG 3.4Å; E122-R126 PolarHBondContact O-N 2.75Å; E122-R126 IonicContact OE1-CZ 3.19Å; E122-R126 IonicContact OE1-NH1 3.16Å; E122-R126 PolarHBondContact OE1-NH1 2.99Å; E122-R126 VanDerWaalsContact OE1-NH1 3.16Å; E122-R126 IonicContact OE1-NH2 2.65Å; E122-R126 PolarHBondContact OE1-NH2 2.97Å; E122-R126 IonicContact OE2-CZ 3.18Å; E122-R126 IonicContact OE2-NH1 3.14Å; E122-R126 PolarHBondContact OE2-NH1 3.46Å; E122-R126 VanDerWaalsContact OE2-NH1 3.14Å
123	N	92.9	Very high	92.8	Very high	89 Å²	89	107.9 Å²	107.9	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-67.3	-31	174.9	-72.6	-18.4	0	0	0	113	R119 A120 M121	R119-N123 WeakPolarHBondContact O-CB 3.5Å; R119-N123 PolarHBondContact O-N 3.26Å; R119-N123 PolarHBondContact O-ND2 3.08Å; A120-N123 PolarHBondContact O-N 3.1Å; M121-N123 VanDerWaalsContact C-N 3.34Å; M121-N123 PolarHBondContact O-N 3.24Å
124	L	95.6	Very high	92.7	Very high	116 Å²	116	112.1 Å²	112.1	61%	0.607	52%	0.519	S	S	*	.	H	α-helix	trans	-72.1	-41.5	174.5	-178.1	65.5	0	0	0	111	A120 M121 E122 R126 R127	A120-L124 PolarHBondContact O-N 3.13Å; M121-L124 WeakPolarHBondContact O-CB 3.36Å; M121-L124 PolarHBondContact O-N 3.13Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.09Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 2.97Å; L124-R127 PolarHBondContact O-N 3.22Å
125	L	94.7	Very high	92.4	Very high	152 Å²	152	112.2 Å²	112.2	80%	0.796	52%	0.515	S	S	*	.	H	α-helix	trans	-72.3	-25	-179.8	-174.2	63.3	0	0	0	113.2	M121 E122 R127	M121-L125 WeakPolarHBondContact O-CB 3.5Å; M121-L125 PolarHBondContact O-N 2.83Å; E122-L125 PolarHBondContact O-N 2.9Å; L125-R127 VanDerWaalsContact C-N 3.31Å
126	R	88.4	Confident	92.2	Very high	169 Å²	169	120.3 Å²	120.3	64%	0.638	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.9	174.7	-75.6	-174.7	-179.8	125.1	4.5	114.2	E122 L124	E122-R126 VanDerWaalsContact CD-CZ 3.41Å; E122-R126 VanDerWaalsContact CD-NH2 3.33Å; E122-R126 VanDerWaalsContact CG-NH1 3.33Å; E122-R126 WeakPolarHBondContact O-CB 3.34Å; E122-R126 WeakPolarHBondContact O-CG 3.4Å; E122-R126 PolarHBondContact O-N 2.75Å; E122-R126 IonicContact OE1-CZ 3.19Å; E122-R126 IonicContact OE1-NH1 3.16Å; E122-R126 PolarHBondContact OE1-NH1 2.99Å; E122-R126 VanDerWaalsContact OE1-NH1 3.16Å; E122-R126 IonicContact OE1-NH2 2.65Å; E122-R126 PolarHBondContact OE1-NH2 2.97Å; E122-R126 IonicContact OE2-CZ 3.18Å; E122-R126 IonicContact OE2-NH1 3.14Å; E122-R126 PolarHBondContact OE2-NH1 3.46Å; E122-R126 VanDerWaalsContact OE2-NH1 3.14Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 2.97Å
127	R	72	Confident	92	Very high	270 Å²	270	120.3 Å²	120.3	100%	1.019	56%	0.557	S	S	*	*			trans	-92.5	0	173.2	-75.4	179.2	177.2	-122	0.4	110.3	L124 L125	L124-R127 PolarHBondContact O-N 3.22Å; L125-R127 VanDerWaalsContact C-N 3.31Å

Retrieved 127 of 127 residues in 79.4 ms (Link to these results)

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