A0A096M830_POEFO Loading...

Proteasome (prosome, macropain) assembly chaperone 3

AlphaFold DB (A0A3B3VKQ5), UniProt , Accession A0A096M830, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 121 aa.

						>A0A096M830_POEFO|A0A096M830
MAEPIIKSRQAQKEVNGISTEVVCTQFSNYIFVVLTQYGKIGTLISVTPDSRSNDISTPTFSTKVLLGKDEPLTHVCAKNLATFISLEAGNRPILLGLALKDSSIDTIREIKEIIKSCKVW
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.2	Low	89.7	Confident	244 Å²	244	127.8 Å²	127.8	100%	1.202	67%	0.668	S	S	*	*				0	132.8	0	-76.1	179.6	-97.7	0	0	107.1
2	A	78.9	Confident	90.4	Very high	101 Å²	101	127 Å²	127	84%	0.835	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-70.7	136.1	177	0	0	0	0	0	109.4
3	E	83.3	Confident	90.9	Very high	180 Å²	180	125.7 Å²	125.7	84%	0.841	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-66.5	136	172.7	-75	-171.9	156.2	0	0	109.9	I5	E3-I5 PolarHBondContact O-N 3.34Å
4	P	85	Confident	91.3	Very high	111 Å²	111	126.9 Å²	126.9	72%	0.721	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-67.2	130.6	178.6	26.2	-31.5	0	0	0	110.3	I6	P4-I6 PolarHBondContact O-N 2.95Å
5	I	91.5	Very high	91.6	Very high	176 Å²	176	118.5 Å²	118.5	90%	0.903	60%	0.604	S	S	*	*	S	Bend	trans	-63.1	-27.3	178.7	-61.3	170	0	0	0	111.3	E3	E3-I5 PolarHBondContact O-N 3.34Å
6	I	95.2	Very high	91.6	Very high	64 Å²	64	116.7 Å²	116.7	33%	0.328	60%	0.596	S	S	.	*	S	Bend	trans	-118.8	129	-174.4	-54.3	-170.3	0	0	0	109.1	P4 S8 T25 Q26 F27	P4-I6 PolarHBondContact O-N 2.95Å; I6-S8 PolarHBondContact O-N 3.09Å; I6-T25 HydrophobicContact CG2-CG2 3.45Å; I6-T25 VanDerWaalsContact CG2-CG2 3.45Å; I6-Q26 WeakPolarHBondContact CG2-O 3.02Å; I6-F27 HydrophobicContact CD1-CD1 3.7Å; I6-F27 HydrophobicContact CD1-CE1 3.36Å; I6-F27 HydrophobicContact CD1-CZ 4.29Å; I6-F27 HydrophobicContact CG2-CD1 4.43Å; I6-F27 HydrophobicContact CG2-CE1 4.36Å
7	K	96.7	Very high	91.7	Very high	141 Å²	141	113.2 Å²	113.2	61%	0.613	60%	0.595	S	S	*	*			trans	-68.9	122.3	175.7	-66	-180	-175.4	172.9	0	109.5	T25 Q26 V120	K7-T25 WeakPolarHBondContact O-CA 3.4Å; K7-Q26 HydrophobicContact CB-CB 4.49Å; K7-Q26 PolarHBondContact O-N 3.22Å; K7-V120 HydrophobicContact CB-CB 4.38Å; K7-V120 HydrophobicContact CB-CG1 4.5Å
8	S	97.8	Very high	91.9	Very high	63 Å²	63	108.4 Å²	108.4	44%	0.441	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.8	140.4	174.7	-167.3	0	0	0	0	109.9	I6 C24 T25	I6-S8 PolarHBondContact O-N 3.09Å; S8-C24 VanDerWaalsContact CA-O 3.32Å; S8-C24 WeakPolarHBondContact CA-O 3.46Å; S8-C24 PolarHBondContact OG-O 3.33Å; S8-T25 PolarHBondContact OG-OG1 2.91Å
9	R	98.1	Very high	92.2	Very high	152 Å²	152	106.1 Å²	106.1	57%	0.574	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.9	148	173	-72.1	-175.6	-180	-145.5	-0.3	109.4	V23 C24 C118 K119 V120	R9-V23 WeakPolarHBondContact O-CA 3.38Å; R9-C24 PolarHBondContact N-O 2.98Å; R9-C24 PolarHBondContact O-N 2.85Å; R9-C118 HydrophobicContact CB-CB 4.27Å; R9-K119 WeakPolarHBondContact CD-O 3.45Å; R9-V120 HydrophobicContact CB-CG1 3.81Å; R9-V120 HydrophobicContact CG-CG1 3.67Å
10	Q	97.9	Very high	92.4	Very high	151 Å²	151	100.8 Å²	100.8	71%	0.706	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	152.6	176.5	66.5	-177.3	73.6	0	0	111.5	V22 V23	Q10-V22 CarbonylContact C-O 3.52Å; Q10-V22 WeakPolarHBondContact CA-O 3.44Å; Q10-V23 HydrophobicContact CB-CB 4.5Å; Q10-V23 HydrophobicContact CB-CG1 4.5Å; Q10-V23 HydrophobicContact CB-CG2 3.92Å
11	A	98.1	Very high	92.7	Very high	23 Å²	23	99.6 Å²	99.6	19%	0.19	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	148.6	171.2	0	0	0	0	0	109.4	V22 I114 C118	A11-V22 PolarHBondContact N-O 3.4Å; A11-V22 PolarHBondContact O-N 2.95Å; A11-I114 HydrophobicContact CB-CG2 3.93Å; A11-C118 WeakPolarHBondContact CB-SG 3.5Å; A11-C118 PolarHBondContact N-SG 3.02Å
12	Q	97.6	Very high	94.3	Very high	118 Å²	118	88 Å²	88	55%	0.551	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	127.5	171.3	-176.3	176.7	35.8	0	0	108	S19 T20 E21	Q12-S19 PolarHBondContact NE2-OG 3.15Å; Q12-T20 WeakPolarHBondContact CA-O 3.3Å; Q12-E21 HydrophobicContact CB-CG 4.17Å; Q12-E21 HydrophobicContact CG-CG 3.85Å
13	K	97.2	Very high	95.3	Very high	110 Å²	110	85.2 Å²	85.2	48%	0.478	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157	174.8	-68.7	-169.5	-176.7	172.1	0	110	T20 I114	K13-T20 PolarHBondContact N-O 2.8Å; K13-T20 WeakPolarHBondContact O-CA 3.22Å; K13-T20 WeakPolarHBondContact O-CB 3.49Å; K13-T20 PolarHBondContact O-N 3.38Å; K13-T20 VanDerWaalsContact O-O 3.1Å; K13-I114 HydrophobicContact CB-CD1 3.92Å; K13-I114 HydrophobicContact CB-CG1 4.38Å; K13-I114 HydrophobicContact CD-CG1 4.18Å
14	E	96.6	Very high	96	Very high	143 Å²	143	76.6 Å²	76.6	67%	0.668	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.5	170	-162.9	175.3	107.7	0	0	109.7	G17 I18	E14-G17 WeakPolarHBondContact OE1-CA 3.44Å; E14-I18 WeakPolarHBondContact CA-O 3.38Å
15	V	95.9	Very high	96.6	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.3	172.8	176.7	0	0	0	0	106.4	G17 I18 T20 T107 E110 I111 I114	V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 3.15Å; V15-I18 PolarHBondContact N-O 2.86Å; V15-I18 WeakPolarHBondContact O-CB 3.35Å; V15-I18 PolarHBondContact O-N 2.62Å; V15-T20 HydrophobicContact CG2-CG2 4.37Å; V15-T107 HydrophobicContact CG1-CG2 4.02Å; V15-E110 HydrophobicContact CG1-CB 4.05Å; V15-E110 HydrophobicContact CG2-CB 4.26Å; V15-I111 HydrophobicContact CG2-CG1 4.42Å; V15-I114 HydrophobicContact CG2-CD1 3.54Å
16	N	91.8	Very high	96.9	Very high	89 Å²	89	65.4 Å²	65.4	48%	0.476	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.5	-177.2	-66.9	-41	0	0	0	114.2	I18 T107	N16-I18 VanDerWaalsContact C-N 3.27Å; N16-I18 PolarHBondContact O-N 3.34Å; N16-T107 PolarHBondContact ND2-OG1 2.91Å
17	G	92.8	Very high	97.1	Very high	57 Å²	57	65 Å²	65	59%	0.588	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	5.2	-178.9	0	0	0	0	0	114.9	E14 V15	E14-G17 WeakPolarHBondContact OE1-CA 3.44Å; V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 3.15Å
18	I	95.8	Very high	97	Very high	28 Å²	28	63.6 Å²	63.6	14%	0.144	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.3	-177	-55.2	157	0	0	0	109.8	E14 V15 N16 T20 Q37 K101	E14-I18 WeakPolarHBondContact CA-O 3.38Å; V15-I18 PolarHBondContact N-O 2.86Å; V15-I18 WeakPolarHBondContact O-CB 3.35Å; V15-I18 PolarHBondContact O-N 2.62Å; N16-I18 VanDerWaalsContact C-N 3.27Å; N16-I18 PolarHBondContact O-N 3.34Å; I18-T20 PolarHBondContact O-N 2.94Å; I18-T20 VanDerWaalsContact O-N 3.15Å; I18-T20 PolarHBondContact O-OG1 3.24Å; I18-Q37 HydrophobicContact CG2-CB 3.67Å; I18-Q37 HydrophobicContact CG2-CG 3.69Å; I18-K101 HydrophobicContact CD1-CB 3.95Å; I18-K101 HydrophobicContact CD1-CD 3.65Å; I18-K101 HydrophobicContact CD1-CG 3.98Å; I18-K101 HydrophobicContact CG1-CD 4.14Å; I18-K101 HydrophobicContact CG2-CD 4.33Å
19	S	96.8	Very high	96.9	Very high	63 Å²	63	65.6 Å²	65.6	44%	0.441	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	119.3	172.4	-171.4	0	0	0	0	110.2	Q12 Q37	Q12-S19 PolarHBondContact NE2-OG 3.15Å; S19-Q37 WeakPolarHBondContact O-CA 3.22Å
20	T	97.6	Very high	96.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123	-174.7	-55.4	0	0	0	0	109.1	Q12 K13 V15 I18 T36 Q37 I111	Q12-T20 WeakPolarHBondContact CA-O 3.3Å; K13-T20 PolarHBondContact N-O 2.8Å; K13-T20 WeakPolarHBondContact O-CA 3.22Å; K13-T20 WeakPolarHBondContact O-CB 3.49Å; K13-T20 PolarHBondContact O-N 3.38Å; K13-T20 VanDerWaalsContact O-O 3.1Å; V15-T20 HydrophobicContact CG2-CG2 4.37Å; I18-T20 PolarHBondContact O-N 2.94Å; I18-T20 VanDerWaalsContact O-N 3.15Å; I18-T20 PolarHBondContact O-OG1 3.24Å; T20-T36 WeakPolarHBondContact CA-O 3.21Å; T20-Q37 HydrophobicContact CG2-CG 4.01Å; T20-Q37 VanDerWaalsContact OG1-CG 3.3Å; T20-Q37 WeakPolarHBondContact OG1-CG 3.5Å; T20-Q37 PolarHBondContact OG1-NE2 2.96Å; T20-I111 HydrophobicContact CG2-CG1 4.4Å
21	E	98.3	Very high	96.9	Very high	77 Å²	77	54.2 Å²	54.2	36%	0.36	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.3	177	-64.4	-178.8	126.7	0	0	110.2	Q12 L35 T36	Q12-E21 HydrophobicContact CB-CG 4.17Å; Q12-E21 HydrophobicContact CG-CG 3.85Å; E21-L35 WeakPolarHBondContact O-CA 3.48Å; E21-T36 HydrophobicContact CB-CG2 3.89Å; E21-T36 PolarHBondContact N-O 2.87Å; E21-T36 PolarHBondContact O-N 2.62Å
22	V	98.4	Very high	96.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.7	176.9	177.1	0	0	0	0	109.1	Q10 A11 V34 L35 I114 I115 C118	Q10-V22 CarbonylContact C-O 3.52Å; Q10-V22 WeakPolarHBondContact CA-O 3.44Å; A11-V22 PolarHBondContact N-O 3.4Å; A11-V22 PolarHBondContact O-N 2.95Å; V22-V34 CarbonylContact C-O 3.54Å; V22-V34 VanDerWaalsContact CA-O 3.27Å; V22-V34 WeakPolarHBondContact CA-O 3.34Å; V22-L35 HydrophobicContact CB-CD2 4.06Å; V22-L35 HydrophobicContact CG1-CD2 3.67Å; V22-L35 HydrophobicContact CG2-CD2 3.49Å; V22-L35 VanDerWaalsContact CG2-CD2 3.49Å; V22-I114 HydrophobicContact CB-CG2 3.75Å; V22-I114 HydrophobicContact CG1-CG2 4.49Å; V22-I114 HydrophobicContact CG2-CB 3.97Å; V22-I114 HydrophobicContact CG2-CG2 3.5Å; V22-I114 VanDerWaalsContact CG2-CG2 3.5Å; V22-I115 HydrophobicContact CG1-CG1 3.81Å; V22-C118 HydrophobicContact CG1-CB 4.37Å
23	V	98.4	Very high	97	Very high	42 Å²	42	49.8 Å²	49.8	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.9	172	-173.5	0	0	0	0	108.7	R9 Q10 V33 V34	R9-V23 WeakPolarHBondContact O-CA 3.38Å; Q10-V23 HydrophobicContact CB-CB 4.5Å; Q10-V23 HydrophobicContact CB-CG1 4.5Å; Q10-V23 HydrophobicContact CB-CG2 3.92Å; V23-V33 CarbonylContact O-C 3.53Å; V23-V33 VanDerWaalsContact O-CA 3.28Å; V23-V33 WeakPolarHBondContact O-CA 3.42Å; V23-V34 HydrophobicContact CB-CB 4.33Å; V23-V34 PolarHBondContact N-O 2.86Å; V23-V34 PolarHBondContact O-N 2.8Å
24	C	98.7	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.2	173.6	-60.1	0	0	0	0	109.5	S8 R9 F32 C118 V120 W121	S8-C24 VanDerWaalsContact CA-O 3.32Å; S8-C24 WeakPolarHBondContact CA-O 3.46Å; S8-C24 PolarHBondContact OG-O 3.33Å; R9-C24 PolarHBondContact N-O 2.98Å; R9-C24 PolarHBondContact O-N 2.85Å; C24-F32 CarbonylContact C-O 3.4Å; C24-F32 WeakPolarHBondContact CA-O 3.32Å; C24-C118 HydrophobicContact CB-CB 4.05Å; C24-C118 VanDerWaalsContact CB-O 3.3Å; C24-C118 WeakPolarHBondContact CB-O 3.39Å; C24-V120 HydrophobicContact CB-CG2 3.83Å; C24-W121 HydrophobicContact CB-CZ3 4.29Å
25	T	98.6	Very high	97.1	Very high	17 Å²	17	39 Å²	39	10%	0.104	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.6	-178.5	-56	0	0	0	0	110.1	I6 K7 S8 F27 F32	I6-T25 HydrophobicContact CG2-CG2 3.45Å; I6-T25 VanDerWaalsContact CG2-CG2 3.45Å; K7-T25 WeakPolarHBondContact O-CA 3.4Å; S8-T25 PolarHBondContact OG-OG1 2.91Å; T25-F27 HydrophobicContact CG2-CD2 4.32Å; T25-F27 HydrophobicContact CG2-CE2 3.71Å; T25-F27 HydrophobicContact CG2-CZ 3.95Å; T25-F32 PolarHBondContact N-O 2.84Å; T25-F32 PolarHBondContact O-N 3.48Å
26	Q	97.9	Very high	97.2	Very high	34 Å²	34	39.4 Å²	39.4	16%	0.159	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.5	-178.2	179.8	-176.9	41.3	0	0	110.8	I6 K7 I31 V120	I6-Q26 WeakPolarHBondContact CG2-O 3.02Å; K7-Q26 HydrophobicContact CB-CB 4.49Å; K7-Q26 PolarHBondContact O-N 3.22Å; Q26-I31 HydrophobicContact CB-CD1 3.97Å; Q26-I31 HydrophobicContact CG-CD1 3.71Å; Q26-V120 HydrophobicContact CB-CB 4.16Å; Q26-V120 HydrophobicContact CB-CG2 3.9Å; Q26-V120 VanDerWaalsContact CD-O 3.24Å; Q26-V120 PolarHBondContact OE1-O 2.86Å
27	F	97.6	Very high	97.4	Very high	56 Å²	56	36.1 Å²	36.1	25%	0.246	21%	0.21	C	C	.	.			trans	-95.2	171.8	166	-64	-87.9	0	0	0	110.7	I6 T25 N29 Y30 F32 R92	I6-F27 HydrophobicContact CD1-CD1 3.7Å; I6-F27 HydrophobicContact CD1-CE1 3.36Å; I6-F27 HydrophobicContact CD1-CZ 4.29Å; I6-F27 HydrophobicContact CG2-CD1 4.43Å; I6-F27 HydrophobicContact CG2-CE1 4.36Å; T25-F27 HydrophobicContact CG2-CD2 4.32Å; T25-F27 HydrophobicContact CG2-CE2 3.71Å; T25-F27 HydrophobicContact CG2-CZ 3.95Å; F27-N29 VanDerWaalsContact C-N 3.27Å; F27-N29 PolarHBondContact O-N 3.31Å; F27-Y30 WeakPolarHBondContact CA-O 3.47Å; F27-Y30 HydrophobicContact CB-CD1 4.1Å; F27-Y30 HydrophobicContact CB-CE1 3.92Å; F27-Y30 HydrophobicContact CB-CG 4.46Å; F27-Y30 WeakPolarHBondContact CB-O 3.44Å; F27-Y30 HydrophobicContact CD2-CD2 4.06Å; F27-Y30 HydrophobicContact CD2-CE1 4.11Å; F27-Y30 AromaticContact CD2-CE2 3.47Å; F27-Y30 HydrophobicContact CD2-CE2 3.47Å; F27-Y30 VanDerWaalsContact CD2-CE2 3.47Å; F27-Y30 AromaticContact CD2-CZ 3.47Å; F27-Y30 VanDerWaalsContact CD2-CZ 3.47Å; F27-Y30 AromaticContact CE2-CE2 3.88Å; F27-Y30 HydrophobicContact CE2-CE2 3.88Å; F27-Y30 AromaticContact CE2-CZ 3.91Å; F27-Y30 AromaticContact CG-CE1 3.99Å; F27-Y30 HydrophobicContact CG-CE1 3.99Å; F27-Y30 HydrophobicContact CG-CE2 4.2Å; F27-Y30 AromaticContact CG-CZ 3.78Å; F27-Y30 PolarHBondContact N-O 2.87Å; F27-F32 HydrophobicContact CD2-CB 4.25Å; F27-F32 HydrophobicContact CE2-CB 3.83Å; F27-R92 PolarHBondContact O-NH1 2.88Å
28	S	95.5	Very high	97.3	Very high	111 Å²	111	39.2 Å²	39.2	78%	0.776	21%	0.205	S	C	*	.	S	Bend	trans	-61.2	-36.2	178.6	54.2	0	0	0	0	112.5
29	N	95.4	Very high	97.1	Very high	105 Å²	105	41 Å²	41	56%	0.561	23%	0.23	S	C	*	.	S	Bend	trans	-117.1	-7.4	-172	64.9	-39.2	0	0	0	115.3	F27 P93	F27-N29 VanDerWaalsContact C-N 3.27Å; F27-N29 PolarHBondContact O-N 3.31Å; N29-P93 WeakPolarHBondContact O-CD 3.17Å
30	Y	98.1	Very high	96.9	Very high	65 Å²	65	45.1 Å²	45.1	26%	0.255	24%	0.24	S	C	.	.			trans	-156.2	166	175.7	65.8	-82.7	0	0	0	111.6	F27 F32 P93 L95	F27-Y30 WeakPolarHBondContact CA-O 3.47Å; F27-Y30 HydrophobicContact CB-CD1 4.1Å; F27-Y30 HydrophobicContact CB-CE1 3.92Å; F27-Y30 HydrophobicContact CB-CG 4.46Å; F27-Y30 WeakPolarHBondContact CB-O 3.44Å; F27-Y30 HydrophobicContact CD2-CD2 4.06Å; F27-Y30 HydrophobicContact CD2-CE1 4.11Å; F27-Y30 AromaticContact CD2-CE2 3.47Å; F27-Y30 HydrophobicContact CD2-CE2 3.47Å; F27-Y30 VanDerWaalsContact CD2-CE2 3.47Å; F27-Y30 AromaticContact CD2-CZ 3.47Å; F27-Y30 VanDerWaalsContact CD2-CZ 3.47Å; F27-Y30 AromaticContact CE2-CE2 3.88Å; F27-Y30 HydrophobicContact CE2-CE2 3.88Å; F27-Y30 AromaticContact CE2-CZ 3.91Å; F27-Y30 AromaticContact CG-CE1 3.99Å; F27-Y30 HydrophobicContact CG-CE1 3.99Å; F27-Y30 HydrophobicContact CG-CE2 4.2Å; F27-Y30 AromaticContact CG-CZ 3.78Å; F27-Y30 PolarHBondContact N-O 2.87Å; Y30-F32 HydrophobicContact CD2-CB 4.36Å; Y30-F32 HydrophobicContact CE2-CB 3.97Å; Y30-P93 VanDerWaalsContact CA-O 3.22Å; Y30-P93 WeakPolarHBondContact CA-O 3.39Å; Y30-P93 WeakPolarHBondContact CB-O 3.35Å; Y30-L95 HydrophobicContact CD2-CB 3.93Å; Y30-L95 HydrophobicContact CE2-CB 4.12Å; Y30-L95 HydrophobicContact CE2-CD2 4.12Å
31	I	98.6	Very high	96.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.6	166.6	-48.7	-59.6	0	0	0	108.2	Q26 V33 I85 A89 P93 I94 L95 W121	Q26-I31 HydrophobicContact CB-CD1 3.97Å; Q26-I31 HydrophobicContact CG-CD1 3.71Å; I31-V33 HydrophobicContact CG2-CG2 3.98Å; I31-I85 HydrophobicContact CB-CG2 4.42Å; I31-I85 HydrophobicContact CG1-CG2 4.44Å; I31-I85 HydrophobicContact CG2-CG2 4.23Å; I31-A89 HydrophobicContact CD1-CB 4.32Å; I31-A89 HydrophobicContact CG1-CB 3.96Å; I31-P93 PolarHBondContact N-O 2.94Å; I31-I94 HydrophobicContact CB-CD1 3.69Å; I31-I94 HydrophobicContact CG1-CD1 3.97Å; I31-I94 WeakPolarHBondContact O-CA 3.27Å; I31-L95 PolarHBondContact O-N 2.93Å; I31-W121 HydrophobicContact CD1-CB 4.02Å; I31-W121 HydrophobicContact CG2-CE3 4.16Å; I31-W121 HydrophobicContact CG2-CZ3 4.48Å
32	F	98.6	Very high	96.5	Very high	48 Å²	48	47.1 Å²	47.1	21%	0.211	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.3	172	-175.2	-146.8	0	0	0	109.7	C24 T25 F27 Y30 V34 I41 L44 L95	C24-F32 CarbonylContact C-O 3.4Å; C24-F32 WeakPolarHBondContact CA-O 3.32Å; T25-F32 PolarHBondContact N-O 2.84Å; T25-F32 PolarHBondContact O-N 3.48Å; F27-F32 HydrophobicContact CD2-CB 4.25Å; F27-F32 HydrophobicContact CE2-CB 3.83Å; Y30-F32 HydrophobicContact CD2-CB 4.36Å; Y30-F32 HydrophobicContact CE2-CB 3.97Å; F32-V34 HydrophobicContact CD1-CG2 4.45Å; F32-V34 HydrophobicContact CE1-CG2 3.75Å; F32-V34 HydrophobicContact CE2-CG2 3.81Å; F32-V34 HydrophobicContact CZ-CG2 3.37Å; F32-I41 HydrophobicContact CZ-CD1 4.14Å; F32-L44 HydrophobicContact CE2-CD1 4.13Å; F32-L95 WeakPolarHBondContact CA-O 3.28Å; F32-L95 HydrophobicContact CD2-CB 3.89Å; F32-L95 HydrophobicContact CD2-CD2 3.76Å; F32-L95 HydrophobicContact CD2-CG 3.74Å; F32-L95 WeakPolarHBondContact CD2-O 3.48Å; F32-L95 HydrophobicContact CE2-CD2 3.98Å; F32-L95 HydrophobicContact CE2-CG 3.99Å; F32-L95 HydrophobicContact CG-CD2 4.46Å
33	V	98.6	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	179.1	-175.8	0	0	0	0	108.7	V23 I31 L35 I85 I94 L95 L96 G97	V23-V33 CarbonylContact O-C 3.53Å; V23-V33 VanDerWaalsContact O-CA 3.28Å; V23-V33 WeakPolarHBondContact O-CA 3.42Å; I31-V33 HydrophobicContact CG2-CG2 3.98Å; V33-L35 HydrophobicContact CG1-CD2 3.82Å; V33-L35 HydrophobicContact CG1-CG 4.06Å; V33-I85 HydrophobicContact CG2-CD1 3.9Å; V33-I94 HydrophobicContact CG2-CG2 4.13Å; V33-L95 PolarHBondContact N-O 2.82Å; V33-L96 HydrophobicContact CB-CD1 3.95Å; V33-L96 HydrophobicContact CG1-CD1 3.96Å; V33-L96 CarbonylContact O-C 3.57Å; V33-L96 WeakPolarHBondContact O-CA 3.37Å; V33-G97 PolarHBondContact O-N 2.93Å
34	V	98.4	Very high	96.5	Very high	27 Å²	27	47.3 Å²	47.3	16%	0.164	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.9	171.7	-179.1	0	0	0	0	107.9	V22 V23 F32	V22-V34 CarbonylContact C-O 3.54Å; V22-V34 VanDerWaalsContact CA-O 3.27Å; V22-V34 WeakPolarHBondContact CA-O 3.34Å; V23-V34 HydrophobicContact CB-CB 4.33Å; V23-V34 PolarHBondContact N-O 2.86Å; V23-V34 PolarHBondContact O-N 2.8Å; F32-V34 HydrophobicContact CD1-CG2 4.45Å; F32-V34 HydrophobicContact CE1-CG2 3.75Å; F32-V34 HydrophobicContact CE2-CG2 3.81Å; F32-V34 HydrophobicContact CZ-CG2 3.37Å
35	L	97.8	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.1	175.3	-52.7	176.5	0	0	0	107.7	E21 V22 V33 L81 L96 G97 L98 A99 L100 I111 I115	E21-L35 WeakPolarHBondContact O-CA 3.48Å; V22-L35 HydrophobicContact CB-CD2 4.06Å; V22-L35 HydrophobicContact CG1-CD2 3.67Å; V22-L35 HydrophobicContact CG2-CD2 3.49Å; V22-L35 VanDerWaalsContact CG2-CD2 3.49Å; V33-L35 HydrophobicContact CG1-CD2 3.82Å; V33-L35 HydrophobicContact CG1-CG 4.06Å; L35-L81 HydrophobicContact CD1-CD1 3.69Å; L35-L96 HydrophobicContact CD1-CD1 3.78Å; L35-L96 HydrophobicContact CG-CD1 3.98Å; L35-G97 PolarHBondContact N-O 2.88Å; L35-L98 HydrophobicContact CB-CD1 4.45Å; L35-L98 HydrophobicContact CD1-CD1 4.07Å; L35-A99 PolarHBondContact O-N 2.83Å; L35-L100 HydrophobicContact CB-CD2 4.47Å; L35-I111 HydrophobicContact CD1-CG2 3.86Å; L35-I111 HydrophobicContact CD2-CG2 4.04Å; L35-I115 HydrophobicContact CD1-CD1 4.15Å; L35-I115 HydrophobicContact CD2-CD1 3.85Å; L35-I115 HydrophobicContact CD2-CG1 3.8Å
36	T	97.4	Very high	96.5	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136	-175.8	-168.1	0	0	0	0	113.9	T20 E21 Y38 G39 K40 A99	T20-T36 WeakPolarHBondContact CA-O 3.21Å; E21-T36 HydrophobicContact CB-CG2 3.89Å; E21-T36 PolarHBondContact N-O 2.87Å; E21-T36 PolarHBondContact O-N 2.62Å; T36-Y38 PolarHBondContact OG1-N 2.84Å; T36-G39 PolarHBondContact OG1-N 3.41Å; T36-K40 VanDerWaalsContact CB-O 3.22Å; T36-K40 WeakPolarHBondContact CB-O 3.35Å; T36-K40 PolarHBondContact OG1-N 2.77Å; T36-K40 VanDerWaalsContact OG1-N 3.09Å; T36-K40 PolarHBondContact OG1-O 3.4Å; T36-A99 WeakPolarHBondContact CA-O 3.5Å
37	Q	96.7	Very high	96.5	Very high	19 Å²	19	46.2 Å²	46.2	9%	0.089	26%	0.257	C	S	.	.	S	Bend	trans	-113.3	0.1	170.8	-72.3	-177	-25.6	0	0	112.5	I18 S19 T20 A99 L100 K101	I18-Q37 HydrophobicContact CG2-CB 3.67Å; I18-Q37 HydrophobicContact CG2-CG 3.69Å; S19-Q37 WeakPolarHBondContact O-CA 3.22Å; T20-Q37 HydrophobicContact CG2-CG 4.01Å; T20-Q37 VanDerWaalsContact OG1-CG 3.3Å; T20-Q37 WeakPolarHBondContact OG1-CG 3.5Å; T20-Q37 PolarHBondContact OG1-NE2 2.96Å; Q37-A99 PolarHBondContact N-O 2.94Å; Q37-L100 HydrophobicContact CG-CD2 4.02Å; Q37-K101 HydrophobicContact CB-CG 4.5Å
38	Y	90.5	Very high	96.5	Very high	122 Å²	122	45.9 Å²	45.9	48%	0.478	26%	0.26	S	S	.	.	S	Bend	trans	-122.8	0.9	-173.2	-60.8	-76	0	0	0	113.3	T36 K40 A99 K101	T36-Y38 PolarHBondContact OG1-N 2.84Å; Y38-K40 PolarHBondContact O-N 2.85Å; Y38-A99 HydrophobicContact CD2-CB 4Å; Y38-A99 WeakPolarHBondContact CD2-O 3.28Å; Y38-K101 HydrophobicContact CE1-CD 4.35Å; Y38-K101 HydrophobicContact CE1-CG 3.82Å; Y38-K101 HydrophobicContact CE2-CG 4.21Å; Y38-K101 WeakPolarHBondContact OH-CA 3.22Å; Y38-K101 WeakPolarHBondContact OH-CG 3.39Å
39	G	90.4	Very high	96.4	Very high	65 Å²	65	41.7 Å²	41.7	67%	0.67	23%	0.23	S	C	*	.	S	Bend	trans	64.9	23	-168.8	0	0	0	0	0	112.9	T36	T36-G39 PolarHBondContact OG1-N 3.41Å
40	K	93.1	Very high	96	Very high	150 Å²	150	39.2 Å²	39.2	65%	0.652	22%	0.217	S	C	*	.	S	Bend	trans	-125.4	151.9	179.6	-63.6	178.9	-176.4	179.3	0	110	T36 Y38 G42 A99	T36-K40 VanDerWaalsContact CB-O 3.22Å; T36-K40 WeakPolarHBondContact CB-O 3.35Å; T36-K40 PolarHBondContact OG1-N 2.77Å; T36-K40 VanDerWaalsContact OG1-N 3.09Å; T36-K40 PolarHBondContact OG1-O 3.4Å; Y38-K40 PolarHBondContact O-N 2.85Å; K40-G42 PolarHBondContact O-N 2.75Å; K40-A99 VanDerWaalsContact O-CB 3.22Å; K40-A99 WeakPolarHBondContact O-CB 3.29Å
41	I	93	Very high	94.6	Very high	87 Å²	87	42 Å²	42	45%	0.446	25%	0.245	S	C	.	.			trans	-66.2	-26.8	175.8	-162.4	168.1	0	0	0	113	F32 L44 G97 L98	F32-I41 HydrophobicContact CZ-CD1 4.14Å; I41-L44 HydrophobicContact CD1-CD1 4Å; I41-L44 HydrophobicContact CG1-CD1 4.46Å; I41-G97 CarbonylContact O-C 3.28Å; I41-G97 VanDerWaalsContact O-C 3.28Å; I41-G97 WeakPolarHBondContact O-CA 3.4Å; I41-L98 PolarHBondContact O-N 2.99Å; I41-L98 VanDerWaalsContact O-N 3.15Å
42	G	95.5	Very high	92.9	Very high	33 Å²	33	52.7 Å²	52.7	34%	0.34	29%	0.286	S	S	.	.			trans	71.5	-142.7	-178.7	0	0	0	0	0	112.9	K40 L98	K40-G42 PolarHBondContact O-N 2.75Å; G42-L98 WeakPolarHBondContact CA-O 3.39Å
43	T	98.1	Very high	90.9	Very high	22 Å²	22	52.3 Å²	52.3	14%	0.135	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.3	174.3	-56.6	0	0	0	0	108.9	I45 V65 L67 T74 L98	T43-I45 HydrophobicContact CG2-CD1 3.88Å; T43-I45 HydrophobicContact CG2-CG1 3.97Å; T43-I45 VanDerWaalsContact O-CD1 3.22Å; T43-I45 WeakPolarHBondContact O-CD1 3.23Å; T43-V65 HydrophobicContact CG2-CB 4.44Å; T43-V65 HydrophobicContact CG2-CG1 3.58Å; T43-V65 HydrophobicContact CG2-CG2 4.05Å; T43-L67 CarbonylContact C-O 3.57Å; T43-L67 WeakPolarHBondContact CA-O 3.24Å; T43-L67 VanDerWaalsContact CG2-O 3.23Å; T43-L67 WeakPolarHBondContact CG2-O 3.41Å; T43-T74 HydrophobicContact CG2-CG2 3.99Å; T43-L98 PolarHBondContact N-O 3.03Å; T43-L98 PolarHBondContact O-N 3.49Å
44	L	98.6	Very high	88.7	Confident	23 Å²	23	60.2 Å²	60.2	12%	0.12	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.4	177.2	-168.2	69.5	0	0	0	109.1	F32 I41 L66 L67 L95 L96	F32-L44 HydrophobicContact CE2-CD1 4.13Å; I41-L44 HydrophobicContact CD1-CD1 4Å; I41-L44 HydrophobicContact CG1-CD1 4.46Å; L44-L66 HydrophobicContact CD2-CB 4.4Å; L44-L66 HydrophobicContact CD2-CD1 4.35Å; L44-L66 HydrophobicContact CG-CD1 4.47Å; L44-L66 PolarHBondContact O-N 3.41Å; L44-L67 HydrophobicContact CB-CB 4.06Å; L44-L67 HydrophobicContact CD2-CD1 4.19Å; L44-L67 PolarHBondContact N-O 2.72Å; L44-L67 PolarHBondContact O-N 3.25Å; L44-L95 HydrophobicContact CD1-CD1 3.89Å; L44-L95 HydrophobicContact CD1-CD2 4.41Å; L44-L95 HydrophobicContact CD1-CG 3.97Å; L44-L95 HydrophobicContact CD2-CD1 4.19Å; L44-L95 HydrophobicContact CG-CD1 3.83Å; L44-L95 HydrophobicContact CG-CG 4.45Å; L44-L96 CarbonylContact C-O 3.58Å; L44-L96 WeakPolarHBondContact CA-O 3.4Å
45	I	98.8	Very high	86.7	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.7	-174.1	-51.3	99.1	0	0	0	109.8	T43 V47 K64 V65 T74 A78 L96 L98	T43-I45 HydrophobicContact CG2-CD1 3.88Å; T43-I45 HydrophobicContact CG2-CG1 3.97Å; T43-I45 VanDerWaalsContact O-CD1 3.22Å; T43-I45 WeakPolarHBondContact O-CD1 3.23Å; I45-V47 HydrophobicContact CG2-CG2 4.22Å; I45-K64 CarbonylContact C-O 3.54Å; I45-K64 WeakPolarHBondContact CA-O 3.32Å; I45-V65 HydrophobicContact CG1-CG2 4Å; I45-T74 HydrophobicContact CD1-CG2 3.86Å; I45-T74 HydrophobicContact CG1-CG2 3.96Å; I45-A78 HydrophobicContact CB-CB 4.17Å; I45-A78 HydrophobicContact CD1-CB 4.38Å; I45-A78 HydrophobicContact CG1-CB 4.33Å; I45-A78 HydrophobicContact CG2-CB 3.85Å; I45-L96 PolarHBondContact N-O 3.3Å; I45-L96 PolarHBondContact O-N 3.24Å; I45-L98 HydrophobicContact CD1-CB 3.83Å; I45-L98 HydrophobicContact CD1-CD2 4.42Å
46	S	98.5	Very high	84.8	Confident	29 Å²	29	72 Å²	72	20%	0.203	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.2	164	178.7	0	0	0	0	109.5	T48 T63 K64	S46-T48 PolarHBondContact OG-OG1 2.99Å; S46-T63 CarbonylContact O-C 3.54Å; S46-T63 VanDerWaalsContact O-CA 3.29Å; S46-T63 WeakPolarHBondContact O-CA 3.42Å; S46-K64 PolarHBondContact N-O 3.32Å; S46-K64 PolarHBondContact O-N 2.94Å
47	V	98.3	Very high	83.2	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.1	172.3	-171.2	0	0	0	0	108	I45 F61 S62 T63 A78 A82 P93 I94	I45-V47 HydrophobicContact CG2-CG2 4.22Å; V47-F61 HydrophobicContact CG1-CB 4.22Å; V47-F61 HydrophobicContact CG1-CD1 3.95Å; V47-F61 HydrophobicContact CG1-CG 4.47Å; V47-S62 WeakPolarHBondContact CA-O 3.46Å; V47-T63 HydrophobicContact CB-CG2 4.45Å; V47-T63 HydrophobicContact CG1-CG2 4.06Å; V47-T63 HydrophobicContact CG2-CG2 4.05Å; V47-A78 HydrophobicContact CG2-CB 4.15Å; V47-A82 HydrophobicContact CB-CB 3.85Å; V47-A82 HydrophobicContact CG1-CB 3.92Å; V47-A82 HydrophobicContact CG2-CB 3.73Å; V47-P93 WeakPolarHBondContact O-CA 3.31Å; V47-I94 HydrophobicContact CB-CB 4.31Å; V47-I94 PolarHBondContact N-O 2.73Å; V47-I94 PolarHBondContact O-N 2.93Å
48	T	96.9	Very high	81.8	Confident	48 Å²	48	79.3 Å²	79.3	29%	0.294	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.6	-171.2	-57.3	0	0	0	0	109.8	S46 D50 F61 S62 P93	S46-T48 PolarHBondContact OG-OG1 2.99Å; T48-D50 PolarHBondContact O-N 2.85Å; T48-F61 WeakPolarHBondContact O-CA 3.46Å; T48-S62 PolarHBondContact N-O 2.94Å; T48-S62 PolarHBondContact O-N 2.82Å; T48-S62 PolarHBondContact O-OG 3.24Å; T48-P93 HydrophobicContact CG2-CG 4.3Å
49	P	93.3	Very high	80.9	Confident	24 Å²	24	75.8 Å²	75.8	16%	0.156	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.2	169.7	-20.6	32.3	0	0	0	110.6	S51 F61 S86 N91	P49-S51 PolarHBondContact O-N 3.19Å; P49-F61 HydrophobicContact CB-CD1 4.39Å; P49-F61 HydrophobicContact CB-CE1 4.14Å; P49-F61 HydrophobicContact CG-CD1 4.15Å; P49-F61 HydrophobicContact CG-CE1 3.69Å; P49-F61 HydrophobicContact CG-CZ 4.43Å; P49-S86 VanDerWaalsContact CG-OG 3.3Å; P49-S86 WeakPolarHBondContact CG-OG 3.4Å; P49-N91 HydrophobicContact CB-CB 4.46Å; P49-N91 HydrophobicContact CG-CB 4.24Å; P49-N91 WeakPolarHBondContact CG-O 3.43Å
50	D	86.2	Confident	80.8	Confident	52 Å²	52	75.8 Å²	75.8	28%	0.278	42%	0.421	S	S	.	.			trans	-78.7	113.8	178.2	-63.7	-37.4	0	0	0	109.2	T48 R52 T60 F61 S62	T48-D50 PolarHBondContact O-N 2.85Å; D50-R52 PolarHBondContact O-N 3.36Å; D50-T60 PolarHBondContact N-O 3.36Å; D50-T60 WeakPolarHBondContact OD2-CB 3.14Å; D50-T60 WeakPolarHBondContact OD2-CG2 3.4Å; D50-F61 PolarHBondContact OD2-N 2.85Å; D50-S62 VanDerWaalsContact OD1-CB 3.26Å; D50-S62 WeakPolarHBondContact OD1-CB 3.45Å; D50-S62 PolarHBondContact OD1-N 2.65Å; D50-S62 PolarHBondContact OD1-OG 3.37Å; D50-S62 PolarHBondContact OD2-N 2.88Å
51	S	70.1	Confident	80.8	Confident	123 Å²	123	69 Å²	69	86%	0.86	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	0.9	179	68.3	0	0	0	0	114.1	P49	P49-S51 PolarHBondContact O-N 3.19Å
52	R	62.4	Low	80.9	Confident	226 Å²	226	67.4 Å²	67.4	85%	0.853	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-2.4	-173.2	-58.9	-159.1	-172.1	-155	4.6	114.2	D50 N54	D50-R52 PolarHBondContact O-N 3.36Å; R52-N54 PolarHBondContact O-N 3.18Å; R52-N54 VanDerWaalsContact O-N 3.09Å
53	S	55.8	Low	81	Confident	39 Å²	39	67.7 Å²	67.7	27%	0.273	38%	0.383	S	S	.	.			trans	-74.8	101.3	173.7	59.9	0	0	0	0	109.1	D55	S53-D55 PolarHBondContact O-N 3.02Å
54	N	52.7	Low	81	Confident	166 Å²	166	73.2 Å²	73.2	89%	0.888	41%	0.405	S	S	*	.			trans	-63.7	-11.7	171	-83.3	-2.2	0	0	0	112.7	R52 I56	R52-N54 PolarHBondContact O-N 3.18Å; R52-N54 VanDerWaalsContact O-N 3.09Å; N54-I56 PolarHBondContact O-N 3.34Å
55	D	56.8	Low	81	Confident	107 Å²	107	73 Å²	73	57%	0.572	40%	0.404	S	S	*	.			trans	-82.7	102.4	168.2	-101.1	-44.4	0	0	0	110.5	S53 S57	S53-D55 PolarHBondContact O-N 3.02Å; D55-S57 PolarHBondContact O-N 3.32Å
56	I	57.1	Low	81	Confident	167 Å²	167	76.7 Å²	76.7	86%	0.856	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.4	172.6	-65.3	166.7	0	0	0	111.2	N54	N54-I56 PolarHBondContact O-N 3.34Å
57	S	65	Low	81	Confident	90 Å²	90	80.8 Å²	80.8	63%	0.629	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-30.1	-172.7	64.5	0	0	0	0	114.3	D55	D55-S57 PolarHBondContact O-N 3.32Å
58	T	66.6	Low	81	Confident	92 Å²	92	83.6 Å²	83.6	56%	0.564	47%	0.472	S	S	*	.	S	Bend	trans	-141.5	90	-179.8	52.2	0	0	0	0	111.6	T60	T58-T60 PolarHBondContact O-N 3.44Å; T58-T60 VanDerWaalsContact O-N 3.16Å
59	P	72.4	Confident	80.8	Confident	49 Å²	49	87.8 Å²	87.8	32%	0.318	49%	0.486	S	S	.	.			trans	-57	125.1	177.2	16.7	-26.6	0	0	0	110.4	F61 L87	P59-F61 HydrophobicContact CB-CE2 4.14Å; P59-F61 HydrophobicContact CG-CE2 4.36Å; P59-F61 WeakPolarHBondContact O-CD2 3.3Å; P59-F61 WeakPolarHBondContact O-CE2 3.42Å; P59-L87 HydrophobicContact CB-CD2 4.19Å; P59-L87 HydrophobicContact CG-CD2 3.26Å; P59-L87 HydrophobicContact CG-CG 4.49Å
60	T	87.6	Confident	81	Confident	64 Å²	64	91.7 Å²	91.7	39%	0.393	51%	0.506	S	S	.	.			trans	-84.8	152.7	177.1	-43.3	0	0	0	0	109.1	D50 T58	D50-T60 PolarHBondContact N-O 3.36Å; D50-T60 WeakPolarHBondContact OD2-CB 3.14Å; D50-T60 WeakPolarHBondContact OD2-CG2 3.4Å; T58-T60 PolarHBondContact O-N 3.44Å; T58-T60 VanDerWaalsContact O-N 3.16Å
61	F	93.7	Very high	81.4	Confident	9 Å²	9	93 Å²	93	4%	0.039	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.8	-179.3	-68.1	-99.8	0	0	0	110.4	V47 T48 P49 D50 P59 K79 T83 S86 L87	V47-F61 HydrophobicContact CG1-CB 4.22Å; V47-F61 HydrophobicContact CG1-CD1 3.95Å; V47-F61 HydrophobicContact CG1-CG 4.47Å; T48-F61 WeakPolarHBondContact O-CA 3.46Å; P49-F61 HydrophobicContact CB-CD1 4.39Å; P49-F61 HydrophobicContact CB-CE1 4.14Å; P49-F61 HydrophobicContact CG-CD1 4.15Å; P49-F61 HydrophobicContact CG-CE1 3.69Å; P49-F61 HydrophobicContact CG-CZ 4.43Å; D50-F61 PolarHBondContact OD2-N 2.85Å; P59-F61 HydrophobicContact CB-CE2 4.14Å; P59-F61 HydrophobicContact CG-CE2 4.36Å; P59-F61 WeakPolarHBondContact O-CD2 3.3Å; P59-F61 WeakPolarHBondContact O-CE2 3.42Å; F61-K79 HydrophobicContact CB-CD 4.22Å; F61-K79 HydrophobicContact CB-CG 4.29Å; F61-K79 PolarHBondContact O-NZ 2.92Å; F61-T83 HydrophobicContact CD2-CG2 4.21Å; F61-T83 HydrophobicContact CE2-CG2 3.63Å; F61-T83 HydrophobicContact CZ-CG2 4Å; F61-S86 WeakPolarHBondContact CE1-OG 3.22Å; F61-L87 HydrophobicContact CZ-CD2 4.2Å; F61-L87 HydrophobicContact CZ-CG 4.16Å
62	S	95.3	Very high	82.7	Confident	53 Å²	53	92.5 Å²	92.5	37%	0.371	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	149.5	166.7	46.4	0	0	0	0	110.5	V47 T48 D50	V47-S62 WeakPolarHBondContact CA-O 3.46Å; T48-S62 PolarHBondContact N-O 2.94Å; T48-S62 PolarHBondContact O-N 2.82Å; T48-S62 PolarHBondContact O-OG 3.24Å; D50-S62 VanDerWaalsContact OD1-CB 3.26Å; D50-S62 WeakPolarHBondContact OD1-CB 3.45Å; D50-S62 PolarHBondContact OD1-N 2.65Å; D50-S62 PolarHBondContact OD1-OG 3.37Å; D50-S62 PolarHBondContact OD2-N 2.88Å
63	T	97.4	Very high	84.1	Confident	38 Å²	38	87.1 Å²	87.1	23%	0.233	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.5	179.5	47.8	0	0	0	0	109.3	S46 V47 H75 K79	S46-T63 CarbonylContact O-C 3.54Å; S46-T63 VanDerWaalsContact O-CA 3.29Å; S46-T63 WeakPolarHBondContact O-CA 3.42Å; V47-T63 HydrophobicContact CB-CG2 4.45Å; V47-T63 HydrophobicContact CG1-CG2 4.06Å; V47-T63 HydrophobicContact CG2-CG2 4.05Å; T63-H75 WeakPolarHBondContact CB-ND1 3.5Å; T63-H75 PolarHBondContact O-CE1 2.96Å; T63-H75 PolarHBondContact O-ND1 2.97Å; T63-H75 PolarHBondContact OG1-ND1 3.48Å; T63-K79 HydrophobicContact CG2-CB 3.99Å
64	K	98.3	Very high	86	Confident	139 Å²	139	86.1 Å²	86.1	60%	0.604	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	118.9	178.5	-176.5	179.4	179.6	178.9	0	109.6	I45 S46 L66	I45-K64 CarbonylContact C-O 3.54Å; I45-K64 WeakPolarHBondContact CA-O 3.32Å; S46-K64 PolarHBondContact N-O 3.32Å; S46-K64 PolarHBondContact O-N 2.94Å; K64-L66 HydrophobicContact CD-CD2 3.99Å; K64-L66 HydrophobicContact CG-CD2 4.05Å; K64-L66 PolarHBondContact O-N 3.23Å
65	V	98.6	Very high	88.1	Confident	18 Å²	18	79.9 Å²	79.9	11%	0.109	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	124.6	168.5	173.8	0	0	0	0	108.2	T43 I45 D70 T74	T43-V65 HydrophobicContact CG2-CB 4.44Å; T43-V65 HydrophobicContact CG2-CG1 3.58Å; T43-V65 HydrophobicContact CG2-CG2 4.05Å; I45-V65 HydrophobicContact CG1-CG2 4Å; V65-D70 HydrophobicContact CB-CB 4.2Å; V65-D70 HydrophobicContact CG1-CB 4.29Å; V65-D70 HydrophobicContact CG2-CB 4.41Å; V65-T74 HydrophobicContact CG2-CG2 4.4Å
66	L	98.6	Very high	89.9	Confident	78 Å²	78	79.3 Å²	79.3	41%	0.408	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-37.3	-179.5	-57	-179.1	0	0	0	111.2	L44 K64 L95	L44-L66 HydrophobicContact CD2-CB 4.4Å; L44-L66 HydrophobicContact CD2-CD1 4.35Å; L44-L66 HydrophobicContact CG-CD1 4.47Å; L44-L66 PolarHBondContact O-N 3.41Å; K64-L66 HydrophobicContact CD-CD2 3.99Å; K64-L66 HydrophobicContact CG-CD2 4.05Å; K64-L66 PolarHBondContact O-N 3.23Å; L66-L95 HydrophobicContact CD1-CD1 3.69Å
67	L	98.3	Very high	91.8	Very high	115 Å²	115	71.7 Å²	71.7	60%	0.602	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.5	178.6	-65.8	173	0	0	0	109.5	T43 L44	T43-L67 CarbonylContact C-O 3.57Å; T43-L67 WeakPolarHBondContact CA-O 3.24Å; T43-L67 VanDerWaalsContact CG2-O 3.23Å; T43-L67 WeakPolarHBondContact CG2-O 3.41Å; L44-L67 HydrophobicContact CB-CB 4.06Å; L44-L67 HydrophobicContact CD2-CD1 4.19Å; L44-L67 PolarHBondContact N-O 2.72Å; L44-L67 PolarHBondContact O-N 3.25Å
68	G	96.9	Very high	93.3	Very high	59 Å²	59	67.4 Å²	67.4	61%	0.608	38%	0.381	S	S	*	.	S	Bend	trans	98.4	-167	-178.4	0	0	0	0	0	112.6
69	K	94.1	Very high	94.7	Very high	135 Å²	135	66.7 Å²	66.7	59%	0.587	37%	0.37	S	S	*	.			trans	-79	129.6	-177.4	-159.1	-177.3	-178.6	-170.9	0	109.9	E71	K69-E71 VanDerWaalsContact CD-CD 3.49Å; K69-E71 HydrophobicContact CD-CG 3.79Å; K69-E71 WeakPolarHBondContact CD-OE1 3.33Å; K69-E71 WeakPolarHBondContact CE-OE1 3.44Å; K69-E71 HydrophobicContact CG-CG 3.88Å; K69-E71 IonicContact NZ-OE1 2.62Å; K69-E71 PolarHBondContact NZ-OE1 3.06Å
70	D	97.1	Very high	95.8	Very high	107 Å²	107	68 Å²	68	57%	0.572	37%	0.374	S	S	*	.			trans	-92.7	100.3	176.4	-167.9	-23.2	0	0	0	109.2	V65 H75	V65-D70 HydrophobicContact CB-CB 4.2Å; V65-D70 HydrophobicContact CG1-CB 4.29Å; V65-D70 HydrophobicContact CG2-CB 4.41Å; D70-H75 IonicContact OD1-CD2 3.61Å; D70-H75 IonicContact OD1-NE2 2.93Å; D70-H75 PolarHBondContact OD1-NE2 3.13Å
71	E	95.6	Very high	96.2	Very high	79 Å²	79	65 Å²	65	37%	0.369	36%	0.356	S	S	.	.			trans	-127.2	142.7	179	-64.8	-174.1	132.8	0	0	110.8	K69 L73 T74 H75	K69-E71 VanDerWaalsContact CD-CD 3.49Å; K69-E71 HydrophobicContact CD-CG 3.79Å; K69-E71 WeakPolarHBondContact CD-OE1 3.33Å; K69-E71 WeakPolarHBondContact CE-OE1 3.44Å; K69-E71 HydrophobicContact CG-CG 3.88Å; K69-E71 IonicContact NZ-OE1 2.62Å; K69-E71 PolarHBondContact NZ-OE1 3.06Å; E71-L73 PolarHBondContact O-N 3.28Å; E71-L73 VanDerWaalsContact O-N 3.09Å; E71-T74 VanDerWaalsContact O-CB 3.25Å; E71-T74 WeakPolarHBondContact O-CB 3.45Å; E71-T74 PolarHBondContact O-N 3.14Å; E71-H75 PolarHBondContact O-CD2 3.44Å; E71-H75 PolarHBondContact O-N 2.98Å
72	P	95.6	Very high	96.4	Very high	112 Å²	112	64.6 Å²	64.6	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-53.2	-38.3	-178.2	-28.6	34.9	0	0	0	114.3	T74 H75 V76	P72-T74 VanDerWaalsContact C-N 3.31Å; P72-T74 PolarHBondContact O-N 3.08Å; P72-H75 WeakPolarHBondContact O-CB 3.38Å; P72-H75 PolarHBondContact O-N 3.01Å; P72-V76 PolarHBondContact O-N 3.4Å
73	L	93.3	Very high	96.4	Very high	114 Å²	114	63.7 Å²	63.7	60%	0.597	35%	0.346	S	S	*	.	H	α-helix	trans	-66.7	-33.2	180	-173.2	61.1	0	0	0	112.3	E71 H75 V76 C77	E71-L73 PolarHBondContact O-N 3.28Å; E71-L73 VanDerWaalsContact O-N 3.09Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 2.82Å; L73-V76 PolarHBondContact O-N 3.38Å; L73-C77 VanDerWaalsContact O-CB 3.32Å; L73-C77 WeakPolarHBondContact O-CB 3.35Å; L73-C77 PolarHBondContact O-N 2.99Å
74	T	94.9	Very high	96.3	Very high	18 Å²	18	63.4 Å²	63.4	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-42.4	175.2	-54.3	0	0	0	0	110.9	T43 I45 V65 E71 P72 C77 A78 L98	T43-T74 HydrophobicContact CG2-CG2 3.99Å; I45-T74 HydrophobicContact CD1-CG2 3.86Å; I45-T74 HydrophobicContact CG1-CG2 3.96Å; V65-T74 HydrophobicContact CG2-CG2 4.4Å; E71-T74 VanDerWaalsContact O-CB 3.25Å; E71-T74 WeakPolarHBondContact O-CB 3.45Å; E71-T74 PolarHBondContact O-N 3.14Å; P72-T74 VanDerWaalsContact C-N 3.31Å; P72-T74 PolarHBondContact O-N 3.08Å; T74-C77 PolarHBondContact O-N 3.48Å; T74-A78 WeakPolarHBondContact O-CB 3.42Å; T74-A78 PolarHBondContact O-N 3.3Å; T74-L98 HydrophobicContact CG2-CD2 4.31Å
75	H	96.6	Very high	96.3	Very high	35 Å²	35	56.8 Å²	56.8	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-44	176.8	-72.9	-99.2	0	0	0	112	T63 D70 E71 P72 L73 K79	T63-H75 WeakPolarHBondContact CB-ND1 3.5Å; T63-H75 PolarHBondContact O-CE1 2.96Å; T63-H75 PolarHBondContact O-ND1 2.97Å; T63-H75 PolarHBondContact OG1-ND1 3.48Å; D70-H75 IonicContact OD1-CD2 3.61Å; D70-H75 IonicContact OD1-NE2 2.93Å; D70-H75 PolarHBondContact OD1-NE2 3.13Å; E71-H75 PolarHBondContact O-CD2 3.44Å; E71-H75 PolarHBondContact O-N 2.98Å; P72-H75 WeakPolarHBondContact O-CB 3.38Å; P72-H75 PolarHBondContact O-N 3.01Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 2.82Å; H75-K79 VanDerWaalsContact O-CB 3.28Å; H75-K79 WeakPolarHBondContact O-CB 3.2Å; H75-K79 PolarHBondContact O-N 3.28Å
76	V	95.3	Very high	96.2	Very high	95 Å²	95	56 Å²	56	58%	0.576	31%	0.308	S	S	*	.	H	α-helix	trans	-62.2	-47.7	177.5	175.8	0	0	0	0	110.9	P72 L73 K79 N80	P72-V76 PolarHBondContact O-N 3.4Å; L73-V76 PolarHBondContact O-N 3.38Å; V76-K79 PolarHBondContact O-N 2.85Å; V76-N80 WeakPolarHBondContact O-CB 3.42Å; V76-N80 PolarHBondContact O-N 3.45Å
77	C	95.9	Very high	96	Very high	7 Å²	7	55.8 Å²	55.8	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-49.7	178.9	-176.6	0	0	0	0	111.6	L73 T74 K79 N80 L81 L98 I108	L73-C77 VanDerWaalsContact O-CB 3.32Å; L73-C77 WeakPolarHBondContact O-CB 3.35Å; L73-C77 PolarHBondContact O-N 2.99Å; T74-C77 PolarHBondContact O-N 3.48Å; C77-K79 PolarHBondContact O-N 2.86Å; C77-N80 PolarHBondContact O-N 2.77Å; C77-L81 WeakPolarHBondContact O-CG 3.35Å; C77-L81 PolarHBondContact O-N 3.39Å; C77-L98 HydrophobicContact CB-CD2 4.3Å; C77-I108 WeakPolarHBondContact SG-CD1 3.11Å
78	A	97.2	Very high	95.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-46.7	177.8	0	0	0	0	0	111.8	I45 V47 T74 N80 L81 A82 L96	I45-A78 HydrophobicContact CB-CB 4.17Å; I45-A78 HydrophobicContact CD1-CB 4.38Å; I45-A78 HydrophobicContact CG1-CB 4.33Å; I45-A78 HydrophobicContact CG2-CB 3.85Å; V47-A78 HydrophobicContact CG2-CB 4.15Å; T74-A78 WeakPolarHBondContact O-CB 3.42Å; T74-A78 PolarHBondContact O-N 3.3Å; A78-N80 PolarHBondContact O-N 3.45Å; A78-L81 PolarHBondContact O-N 3.38Å; A78-A82 WeakPolarHBondContact O-CB 3.25Å; A78-A82 PolarHBondContact O-N 3.26Å; A78-L96 HydrophobicContact CB-CD2 3.72Å
79	K	95.8	Very high	95.8	Very high	76 Å²	76	52.4 Å²	52.4	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-44.9	176.8	-173.1	164.7	174	163.1	0	111.4	F61 T63 H75 V76 C77 L81 A82 T83	F61-K79 HydrophobicContact CB-CD 4.22Å; F61-K79 HydrophobicContact CB-CG 4.29Å; F61-K79 PolarHBondContact O-NZ 2.92Å; T63-K79 HydrophobicContact CG2-CB 3.99Å; H75-K79 VanDerWaalsContact O-CB 3.28Å; H75-K79 WeakPolarHBondContact O-CB 3.2Å; H75-K79 PolarHBondContact O-N 3.28Å; V76-K79 PolarHBondContact O-N 2.85Å; C77-K79 PolarHBondContact O-N 2.86Å; K79-L81 VanDerWaalsContact C-N 3.34Å; K79-L81 PolarHBondContact O-N 3.27Å; K79-A82 PolarHBondContact O-N 3.49Å; K79-T83 VanDerWaalsContact O-CB 3.3Å; K79-T83 WeakPolarHBondContact O-CB 3.44Å; K79-T83 PolarHBondContact O-N 3.46Å; K79-T83 PolarHBondContact O-OG1 2.93Å
80	N	95.6	Very high	95.7	Very high	78 Å²	78	48.7 Å²	48.7	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-41.8	179.7	-170.3	-65.9	0	0	0	112.6	V76 C77 A78 I108 K112	V76-N80 WeakPolarHBondContact O-CB 3.42Å; V76-N80 PolarHBondContact O-N 3.45Å; C77-N80 PolarHBondContact O-N 2.77Å; A78-N80 PolarHBondContact O-N 3.45Å; N80-I108 WeakPolarHBondContact OD1-CG2 3.32Å; N80-K112 WeakPolarHBondContact O-CE 3.34Å; N80-K112 PolarHBondContact O-NZ 3.47Å; N80-K112 WeakPolarHBondContact OD1-CE 3.28Å; N80-K112 PolarHBondContact OD1-NZ 2.99Å
81	L	96.9	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-76.4	-41.2	179.8	-72.9	166.9	0	0	0	112.8	L35 C77 A78 K79 F84 L98 I108 I111 K112 I115	L35-L81 HydrophobicContact CD1-CD1 3.69Å; C77-L81 WeakPolarHBondContact O-CG 3.35Å; C77-L81 PolarHBondContact O-N 3.39Å; A78-L81 PolarHBondContact O-N 3.38Å; K79-L81 VanDerWaalsContact C-N 3.34Å; K79-L81 PolarHBondContact O-N 3.27Å; L81-F84 WeakPolarHBondContact O-CD1 3.29Å; L81-F84 WeakPolarHBondContact O-CE1 3.34Å; L81-L98 HydrophobicContact CD1-CD1 3.98Å; L81-I108 HydrophobicContact CD1-CD1 3.82Å; L81-I108 HydrophobicContact CD2-CD1 4.15Å; L81-I108 HydrophobicContact CD2-CG2 3.88Å; L81-I108 HydrophobicContact CG-CD1 4.06Å; L81-I108 HydrophobicContact CG-CG2 4.27Å; L81-I111 HydrophobicContact CD2-CB 4.38Å; L81-I111 HydrophobicContact CD2-CG2 3.74Å; L81-K112 HydrophobicContact CD2-CG 3.99Å; L81-I115 HydrophobicContact CD2-CD1 4.24Å
82	A	97.1	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-84	-25.5	-171.9	0	0	0	0	0	114.2	V47 A78 K79 F84 I85 S86 I94	V47-A82 HydrophobicContact CB-CB 3.85Å; V47-A82 HydrophobicContact CG1-CB 3.92Å; V47-A82 HydrophobicContact CG2-CB 3.73Å; A78-A82 WeakPolarHBondContact O-CB 3.25Å; A78-A82 PolarHBondContact O-N 3.26Å; K79-A82 PolarHBondContact O-N 3.49Å; A82-F84 PolarHBondContact O-N 3.44Å; A82-I85 WeakPolarHBondContact O-CB 3.46Å; A82-I85 PolarHBondContact O-N 3.43Å; A82-S86 PolarHBondContact O-N 3.28Å; A82-I94 HydrophobicContact CB-CB 3.9Å; A82-I94 HydrophobicContact CB-CG1 3.98Å; A82-I94 HydrophobicContact CB-CG2 3.92Å
83	T	95.4	Very high	95.6	Very high	35 Å²	35	44.7 Å²	44.7	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-50.6	-172.6	-67.1	0	0	0	0	112.4	F61 K79 I85 S86 L87	F61-T83 HydrophobicContact CD2-CG2 4.21Å; F61-T83 HydrophobicContact CE2-CG2 3.63Å; F61-T83 HydrophobicContact CZ-CG2 4Å; K79-T83 VanDerWaalsContact O-CB 3.3Å; K79-T83 WeakPolarHBondContact O-CB 3.44Å; K79-T83 PolarHBondContact O-N 3.46Å; K79-T83 PolarHBondContact O-OG1 2.93Å; T83-I85 VanDerWaalsContact C-N 3.31Å; T83-I85 PolarHBondContact O-N 2.94Å; T83-S86 PolarHBondContact O-N 3.09Å; T83-L87 HydrophobicContact CG2-CD1 3.72Å; T83-L87 HydrophobicContact CG2-CG 4.38Å; T83-L87 VanDerWaalsContact O-CG 3.28Å; T83-L87 WeakPolarHBondContact O-CG 3.28Å; T83-L87 PolarHBondContact O-N 3.38Å
84	F	95.9	Very high	95.9	Very high	31 Å²	31	39.3 Å²	39.3	14%	0.136	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-36.3	-177.7	83.1	-87.1	0	0	0	112	L81 A82 L87 E88 K112 I115 K116 W121	L81-F84 WeakPolarHBondContact O-CD1 3.29Å; L81-F84 WeakPolarHBondContact O-CE1 3.34Å; A82-F84 PolarHBondContact O-N 3.44Å; F84-L87 PolarHBondContact O-N 2.94Å; F84-E88 WeakPolarHBondContact O-CB 3.46Å; F84-E88 WeakPolarHBondContact O-CG 3.46Å; F84-E88 PolarHBondContact O-N 2.99Å; F84-K112 HydrophobicContact CD1-CD 4.34Å; F84-K112 HydrophobicContact CD1-CG 4.42Å; F84-K112 HydrophobicContact CE1-CB 4.3Å; F84-K112 HydrophobicContact CE1-CD 4.21Å; F84-K112 HydrophobicContact CE1-CG 3.8Å; F84-K112 HydrophobicContact CZ-CG 4.47Å; F84-I115 HydrophobicContact CE1-CG2 4.42Å; F84-I115 HydrophobicContact CE2-CG2 4.29Å; F84-I115 HydrophobicContact CZ-CB 4.05Å; F84-I115 HydrophobicContact CZ-CG2 3.57Å; F84-K116 HydrophobicContact CE2-CG 4.01Å; F84-K116 HydrophobicContact CZ-CG 4.46Å; F84-W121 HydrophobicContact CE2-CZ2 4.34Å
85	I	97.6	Very high	96.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-49.9	177	-50.8	175	0	0	0	109.4	I31 V33 A82 T83 L87 E88 A89 I94 I115 W121	I31-I85 HydrophobicContact CB-CG2 4.42Å; I31-I85 HydrophobicContact CG1-CG2 4.44Å; I31-I85 HydrophobicContact CG2-CG2 4.23Å; V33-I85 HydrophobicContact CG2-CD1 3.9Å; A82-I85 WeakPolarHBondContact O-CB 3.46Å; A82-I85 PolarHBondContact O-N 3.43Å; T83-I85 VanDerWaalsContact C-N 3.31Å; T83-I85 PolarHBondContact O-N 2.94Å; I85-L87 PolarHBondContact O-N 3.21Å; I85-E88 PolarHBondContact O-N 2.89Å; I85-A89 WeakPolarHBondContact O-CB 3.04Å; I85-A89 PolarHBondContact O-N 2.71Å; I85-I94 HydrophobicContact CB-CD1 3.94Å; I85-I94 HydrophobicContact CB-CG1 4.44Å; I85-I94 HydrophobicContact CG2-CD1 3.58Å; I85-I115 HydrophobicContact CD1-CD1 4.33Å; I85-I115 HydrophobicContact CD1-CG2 3.61Å; I85-I115 HydrophobicContact CG1-CG2 3.97Å; I85-W121 HydrophobicContact CB-CH2 4.46Å; I85-W121 HydrophobicContact CB-CZ2 4.43Å; I85-W121 HydrophobicContact CG1-CH2 4.23Å; I85-W121 HydrophobicContact CG1-CZ2 4.41Å; I85-W121 HydrophobicContact CG2-CD2 4.03Å; I85-W121 HydrophobicContact CG2-CE3 3.81Å; I85-W121 HydrophobicContact CG2-CH2 3.77Å; I85-W121 HydrophobicContact CG2-CZ2 3.95Å; I85-W121 HydrophobicContact CG2-CZ3 3.69Å
86	S	96.6	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-46.1	179	174.5	0	0	0	0	111.7	P49 F61 A82 T83 A89 G90 N91 R92	P49-S86 VanDerWaalsContact CG-OG 3.3Å; P49-S86 WeakPolarHBondContact CG-OG 3.4Å; F61-S86 WeakPolarHBondContact CE1-OG 3.22Å; A82-S86 PolarHBondContact O-N 3.28Å; T83-S86 PolarHBondContact O-N 3.09Å; S86-A89 CarbonylContact O-C 3.56Å; S86-A89 PolarHBondContact O-N 3.32Å; S86-G90 PolarHBondContact O-N 2.9Å; S86-N91 VanDerWaalsContact O-CA 3.23Å; S86-N91 WeakPolarHBondContact O-CA 3.21Å; S86-N91 PolarHBondContact O-N 3.25Å; S86-R92 VanDerWaalsContact CB-O 3.31Å; S86-R92 WeakPolarHBondContact CB-O 3.16Å; S86-R92 PolarHBondContact O-N 3.06Å; S86-R92 PolarHBondContact OG-O 3.49Å
87	L	94.1	Very high	96.3	Very high	74 Å²	74	34 Å²	34	39%	0.387	19%	0.186	S	C	.	.	H	α-helix	trans	-62.2	-48.6	-178.4	-69.7	169.7	0	0	0	111.5	P59 F61 T83 F84 I85 A89 G90 N91	P59-L87 HydrophobicContact CB-CD2 4.19Å; P59-L87 HydrophobicContact CG-CD2 3.26Å; P59-L87 HydrophobicContact CG-CG 4.49Å; F61-L87 HydrophobicContact CZ-CD2 4.2Å; F61-L87 HydrophobicContact CZ-CG 4.16Å; T83-L87 HydrophobicContact CG2-CD1 3.72Å; T83-L87 HydrophobicContact CG2-CG 4.38Å; T83-L87 VanDerWaalsContact O-CG 3.28Å; T83-L87 WeakPolarHBondContact O-CG 3.28Å; T83-L87 PolarHBondContact O-N 3.38Å; F84-L87 PolarHBondContact O-N 2.94Å; I85-L87 PolarHBondContact O-N 3.21Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 2.84Å; L87-G90 PolarHBondContact O-N 2.82Å; L87-N91 WeakPolarHBondContact CD2-OD1 3.13Å
88	E	95.4	Very high	96.4	Very high	94 Å²	94	34.5 Å²	34.5	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-67.5	-27.4	177.4	-70.6	-177.3	-156.4	0	0	113	F84 I85 G90 K119 W121	F84-E88 WeakPolarHBondContact O-CB 3.46Å; F84-E88 WeakPolarHBondContact O-CG 3.46Å; F84-E88 PolarHBondContact O-N 2.99Å; I85-E88 PolarHBondContact O-N 2.89Å; E88-G90 PolarHBondContact O-N 3.03Å; E88-K119 IonicContact OE2-NZ 2.71Å; E88-K119 PolarHBondContact OE2-NZ 3.09Å; E88-W121 PolarHBondContact OE2-NE1 3.41Å; E88-W121 VanDerWaalsContact OE2-NE1 3.08Å
89	A	95.3	Very high	96.4	Very high	9 Å²	9	34.8 Å²	34.8	7%	0.074	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10.9	176.3	0	0	0	0	0	113.5	I31 I85 S86 L87 R92 W121	I31-A89 HydrophobicContact CD1-CB 4.32Å; I31-A89 HydrophobicContact CG1-CB 3.96Å; I85-A89 WeakPolarHBondContact O-CB 3.04Å; I85-A89 PolarHBondContact O-N 2.71Å; S86-A89 CarbonylContact O-C 3.56Å; S86-A89 PolarHBondContact O-N 3.32Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 2.84Å; A89-R92 HydrophobicContact CB-CB 4.19Å; A89-R92 WeakPolarHBondContact O-CD 3.1Å; A89-R92 VanDerWaalsContact O-CG 3.27Å; A89-R92 WeakPolarHBondContact O-CG 3.12Å; A89-R92 PolarHBondContact O-NE 2.87Å; A89-W121 HydrophobicContact CB-CB 3.65Å; A89-W121 HydrophobicContact CB-CG 3.81Å
90	G	93.4	Very high	96.3	Very high	57 Å²	57	32.3 Å²	32.3	59%	0.588	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	44	179.2	0	0	0	0	0	113.2	S86 L87 E88 R92	S86-G90 PolarHBondContact O-N 2.9Å; L87-G90 PolarHBondContact O-N 2.82Å; E88-G90 PolarHBondContact O-N 3.03Å; G90-R92 VanDerWaalsContact C-N 3.31Å; G90-R92 PolarHBondContact O-N 3.37Å
91	N	93.5	Very high	96.2	Very high	90 Å²	90	34.4 Å²	34.4	48%	0.481	19%	0.186	S	C	.	.	S	Bend	trans	57.5	40	-177	-60.4	-40.1	0	0	0	113.3	P49 S86 L87	P49-N91 HydrophobicContact CB-CB 4.46Å; P49-N91 HydrophobicContact CG-CB 4.24Å; P49-N91 WeakPolarHBondContact CG-O 3.43Å; S86-N91 VanDerWaalsContact O-CA 3.23Å; S86-N91 WeakPolarHBondContact O-CA 3.21Å; S86-N91 PolarHBondContact O-N 3.25Å; L87-N91 WeakPolarHBondContact CD2-OD1 3.13Å
92	R	95.2	Very high	95.9	Very high	82 Å²	82	36.9 Å²	36.9	31%	0.309	20%	0.199	S	C	.	.			trans	-83	137.7	173.6	-73.8	-179.7	-161.2	-170.8	7	110.9	F27 S86 A89 G90	F27-R92 PolarHBondContact O-NH1 2.88Å; S86-R92 VanDerWaalsContact CB-O 3.31Å; S86-R92 WeakPolarHBondContact CB-O 3.16Å; S86-R92 PolarHBondContact O-N 3.06Å; S86-R92 PolarHBondContact OG-O 3.49Å; A89-R92 HydrophobicContact CB-CB 4.19Å; A89-R92 WeakPolarHBondContact O-CD 3.1Å; A89-R92 VanDerWaalsContact O-CG 3.27Å; A89-R92 WeakPolarHBondContact O-CG 3.12Å; A89-R92 PolarHBondContact O-NE 2.87Å; G90-R92 VanDerWaalsContact C-N 3.31Å; G90-R92 PolarHBondContact O-N 3.37Å
93	P	97.8	Very high	95.6	Very high	42 Å²	42	39.3 Å²	39.3	27%	0.273	22%	0.216	S	C	.	.			trans	-52.5	149.4	169.5	-24.6	32.7	0	0	0	112.7	N29 Y30 I31 V47 T48	N29-P93 WeakPolarHBondContact O-CD 3.17Å; Y30-P93 VanDerWaalsContact CA-O 3.22Å; Y30-P93 WeakPolarHBondContact CA-O 3.39Å; Y30-P93 WeakPolarHBondContact CB-O 3.35Å; I31-P93 PolarHBondContact N-O 2.94Å; V47-P93 WeakPolarHBondContact O-CA 3.31Å; T48-P93 HydrophobicContact CG2-CG 4.3Å
94	I	98.6	Very high	95.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.3	177	-50.6	-61.3	0	0	0	108.7	I31 V33 V47 A82 I85	I31-I94 HydrophobicContact CB-CD1 3.69Å; I31-I94 HydrophobicContact CG1-CD1 3.97Å; I31-I94 WeakPolarHBondContact O-CA 3.27Å; V33-I94 HydrophobicContact CG2-CG2 4.13Å; V47-I94 HydrophobicContact CB-CB 4.31Å; V47-I94 PolarHBondContact N-O 2.73Å; V47-I94 PolarHBondContact O-N 2.93Å; A82-I94 HydrophobicContact CB-CB 3.9Å; A82-I94 HydrophobicContact CB-CG1 3.98Å; A82-I94 HydrophobicContact CB-CG2 3.92Å; I85-I94 HydrophobicContact CB-CD1 3.94Å; I85-I94 HydrophobicContact CB-CG1 4.44Å; I85-I94 HydrophobicContact CG2-CD1 3.58Å
95	L	98.8	Very high	95.3	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.188	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.5	163.7	-176.1	64.4	0	0	0	107.3	Y30 I31 F32 V33 L44 L66	Y30-L95 HydrophobicContact CD2-CB 3.93Å; Y30-L95 HydrophobicContact CE2-CB 4.12Å; Y30-L95 HydrophobicContact CE2-CD2 4.12Å; I31-L95 PolarHBondContact O-N 2.93Å; F32-L95 WeakPolarHBondContact CA-O 3.28Å; F32-L95 HydrophobicContact CD2-CB 3.89Å; F32-L95 HydrophobicContact CD2-CD2 3.76Å; F32-L95 HydrophobicContact CD2-CG 3.74Å; F32-L95 WeakPolarHBondContact CD2-O 3.48Å; F32-L95 HydrophobicContact CE2-CD2 3.98Å; F32-L95 HydrophobicContact CE2-CG 3.99Å; F32-L95 HydrophobicContact CG-CD2 4.46Å; V33-L95 PolarHBondContact N-O 2.82Å; L44-L95 HydrophobicContact CD1-CD1 3.89Å; L44-L95 HydrophobicContact CD1-CD2 4.41Å; L44-L95 HydrophobicContact CD1-CG 3.97Å; L44-L95 HydrophobicContact CD2-CD1 4.19Å; L44-L95 HydrophobicContact CG-CD1 3.83Å; L44-L95 HydrophobicContact CG-CG 4.45Å; L66-L95 HydrophobicContact CD1-CD1 3.69Å
96	L	98.7	Very high	95.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.6	-174.4	-179.1	65.9	0	0	0	110.6	V33 L35 L44 I45 A78 L98	V33-L96 HydrophobicContact CB-CD1 3.95Å; V33-L96 HydrophobicContact CG1-CD1 3.96Å; V33-L96 CarbonylContact O-C 3.57Å; V33-L96 WeakPolarHBondContact O-CA 3.37Å; L35-L96 HydrophobicContact CD1-CD1 3.78Å; L35-L96 HydrophobicContact CG-CD1 3.98Å; L44-L96 CarbonylContact C-O 3.58Å; L44-L96 WeakPolarHBondContact CA-O 3.4Å; I45-L96 PolarHBondContact N-O 3.3Å; I45-L96 PolarHBondContact O-N 3.24Å; A78-L96 HydrophobicContact CB-CD2 3.72Å; L96-L98 HydrophobicContact CD2-CB 4.4Å; L96-L98 HydrophobicContact CG-CB 4.34Å
97	G	98.4	Very high	95.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.4	160.5	0	0	0	0	0	109.5	V33 L35 I41	V33-G97 PolarHBondContact O-N 2.93Å; L35-G97 PolarHBondContact N-O 2.88Å; I41-G97 CarbonylContact O-C 3.28Å; I41-G97 VanDerWaalsContact O-C 3.28Å; I41-G97 WeakPolarHBondContact O-CA 3.4Å
98	L	97.8	Very high	95.1	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	111	-174.6	-174.6	69.7	0	0	0	111.1	L35 I41 G42 T43 I45 T74 C77 L81 L96 L100	L35-L98 HydrophobicContact CB-CD1 4.45Å; L35-L98 HydrophobicContact CD1-CD1 4.07Å; I41-L98 PolarHBondContact O-N 2.99Å; I41-L98 VanDerWaalsContact O-N 3.15Å; G42-L98 WeakPolarHBondContact CA-O 3.39Å; T43-L98 PolarHBondContact N-O 3.03Å; T43-L98 PolarHBondContact O-N 3.49Å; I45-L98 HydrophobicContact CD1-CB 3.83Å; I45-L98 HydrophobicContact CD1-CD2 4.42Å; T74-L98 HydrophobicContact CG2-CD2 4.31Å; C77-L98 HydrophobicContact CB-CD2 4.3Å; L81-L98 HydrophobicContact CD1-CD1 3.98Å; L96-L98 HydrophobicContact CD2-CB 4.4Å; L96-L98 HydrophobicContact CG-CB 4.34Å; L98-L100 HydrophobicContact CD1-CD1 3.64Å; L98-L100 HydrophobicContact CD1-CG 3.76Å; L98-L100 HydrophobicContact CG-CG 4.49Å
99	A	96.8	Very high	95.1	Very high	7 Å²	7	48.7 Å²	48.7	6%	0.058	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	78.1	177.3	0	0	0	0	0	110.9	L35 T36 Q37 Y38 K40	L35-A99 PolarHBondContact O-N 2.83Å; T36-A99 WeakPolarHBondContact CA-O 3.5Å; Q37-A99 PolarHBondContact N-O 2.94Å; Y38-A99 HydrophobicContact CD2-CB 4Å; Y38-A99 WeakPolarHBondContact CD2-O 3.28Å; K40-A99 VanDerWaalsContact O-CB 3.22Å; K40-A99 WeakPolarHBondContact O-CB 3.29Å
100	L	94.5	Very high	95.2	Very high	23 Å²	23	52 Å²	52	12%	0.12	28%	0.275	C	S	.	.			trans	-112.6	148.6	-179.5	-55.7	179.9	0	0	0	111.3	L35 Q37 L98 D102 I108 I111	L35-L100 HydrophobicContact CB-CD2 4.47Å; Q37-L100 HydrophobicContact CG-CD2 4.02Å; L98-L100 HydrophobicContact CD1-CD1 3.64Å; L98-L100 HydrophobicContact CD1-CG 3.76Å; L98-L100 HydrophobicContact CG-CG 4.49Å; L100-D102 WeakPolarHBondContact CB-O 3.4Å; L100-I108 HydrophobicContact CD1-CD1 4.28Å; L100-I111 HydrophobicContact CD1-CD1 3.47Å; L100-I111 VanDerWaalsContact CD1-CD1 3.47Å; L100-I111 HydrophobicContact CD2-CD1 3.59Å; L100-I111 HydrophobicContact CG-CD1 4.18Å
101	K	92.2	Very high	95.4	Very high	122 Å²	122	49.3 Å²	49.3	53%	0.53	25%	0.247	S	C	.	.	S	Bend	trans	-72	-37.2	174	-63.5	-158.5	-178.5	169.6	0	112.5	I18 Q37 Y38	I18-K101 HydrophobicContact CD1-CB 3.95Å; I18-K101 HydrophobicContact CD1-CD 3.65Å; I18-K101 HydrophobicContact CD1-CG 3.98Å; I18-K101 HydrophobicContact CG1-CD 4.14Å; I18-K101 HydrophobicContact CG2-CD 4.33Å; Q37-K101 HydrophobicContact CB-CG 4.5Å; Y38-K101 HydrophobicContact CE1-CD 4.35Å; Y38-K101 HydrophobicContact CE1-CG 3.82Å; Y38-K101 HydrophobicContact CE2-CG 4.21Å; Y38-K101 WeakPolarHBondContact OH-CA 3.22Å; Y38-K101 WeakPolarHBondContact OH-CG 3.39Å
102	D	90.1	Very high	95.6	Very high	52 Å²	52	47.5 Å²	47.5	28%	0.278	24%	0.235	S	C	.	.			trans	-139.5	162.3	175.7	73.6	95	0	0	0	110.2	L100 S104 T107	L100-D102 WeakPolarHBondContact CB-O 3.4Å; D102-S104 VanDerWaalsContact OD1-CB 3.24Å; D102-S104 WeakPolarHBondContact OD1-CB 3.33Å; D102-S104 PolarHBondContact OD1-N 3.2Å; D102-S104 PolarHBondContact OD1-OG 2.61Å; D102-T107 WeakPolarHBondContact OD1-CB 3.49Å; D102-T107 PolarHBondContact OD1-OG1 3.41Å; D102-T107 PolarHBondContact OD2-OG1 3.41Å
103	S	90.6	Very high	95.7	Very high	52 Å²	52	48.6 Å²	48.6	36%	0.364	24%	0.243	S	C	.	.			trans	-123.9	39.2	174.7	-63.3	0	0	0	0	110.5
104	S	93.3	Very high	95.7	Very high	51 Å²	51	46.9 Å²	46.9	36%	0.357	23%	0.232	S	C	.	.			trans	-62.4	155.1	174.3	68.2	0	0	0	0	110.9	D102 D106 T107 I108	D102-S104 VanDerWaalsContact OD1-CB 3.24Å; D102-S104 WeakPolarHBondContact OD1-CB 3.33Å; D102-S104 PolarHBondContact OD1-N 3.2Å; D102-S104 PolarHBondContact OD1-OG 2.61Å; S104-D106 PolarHBondContact O-N 3.4Å; S104-T107 PolarHBondContact O-N 2.94Å; S104-T107 WeakPolarHBondContact OG-CB 3.2Å; S104-T107 PolarHBondContact OG-N 3.47Å; S104-T107 PolarHBondContact OG-OG1 3Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 3.27Å; S104-I108 PolarHBondContact O-N 3.24Å
105	I	92.7	Very high	95.7	Very high	121 Å²	121	46.9 Å²	46.9	62%	0.621	23%	0.232	S	C	*	.	H	α-helix	trans	-59.2	-38.1	-176.7	-67.4	169.1	0	0	0	111.3	I108 R109	I105-I108 PolarHBondContact O-N 3.3Å; I105-R109 VanDerWaalsContact O-CG 3.31Å; I105-R109 WeakPolarHBondContact O-CG 3.23Å; I105-R109 PolarHBondContact O-N 3.08Å
106	D	94	Very high	95.6	Very high	89 Å²	89	49.7 Å²	49.7	48%	0.476	24%	0.243	S	C	.	.	H	α-helix	trans	-71	-44.1	-179.5	-60.9	-42	0	0	0	111.5	S104 I108 R109 E110	S104-D106 PolarHBondContact O-N 3.4Å; D106-I108 VanDerWaalsContact C-N 3.28Å; D106-I108 PolarHBondContact O-N 3.38Å; D106-R109 PolarHBondContact O-N 2.76Å; D106-R109 VanDerWaalsContact O-N 3.13Å; D106-R109 IonicContact OD1-NH1 3.63Å; D106-R109 PolarHBondContact OD1-NH1 3.43Å; D106-E110 PolarHBondContact O-N 3.26Å
107	T	95.2	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-53	-46.9	170.3	-67.4	0	0	0	0	111.1	V15 N16 D102 S104 R109 E110 I111	V15-T107 HydrophobicContact CG1-CG2 4.02Å; N16-T107 PolarHBondContact ND2-OG1 2.91Å; D102-T107 WeakPolarHBondContact OD1-CB 3.49Å; D102-T107 PolarHBondContact OD1-OG1 3.41Å; D102-T107 PolarHBondContact OD2-OG1 3.41Å; S104-T107 PolarHBondContact O-N 2.94Å; S104-T107 WeakPolarHBondContact OG-CB 3.2Å; S104-T107 PolarHBondContact OG-N 3.47Å; S104-T107 PolarHBondContact OG-OG1 3Å; T107-R109 PolarHBondContact O-N 3.41Å; T107-E110 PolarHBondContact O-N 2.88Å; T107-I111 HydrophobicContact CG2-CD1 3.62Å; T107-I111 HydrophobicContact CG2-CG1 4.44Å; T107-I111 WeakPolarHBondContact O-CB 3.42Å; T107-I111 WeakPolarHBondContact O-CD1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 3.45Å
108	I	95.4	Very high	95.5	Very high	13 Å²	13	52.3 Å²	52.3	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-39.2	-179.8	-64.7	-62.7	0	0	0	112	C77 N80 L81 L100 S104 I105 D106 K112	C77-I108 WeakPolarHBondContact SG-CD1 3.11Å; N80-I108 WeakPolarHBondContact OD1-CG2 3.32Å; L81-I108 HydrophobicContact CD1-CD1 3.82Å; L81-I108 HydrophobicContact CD2-CD1 4.15Å; L81-I108 HydrophobicContact CD2-CG2 3.88Å; L81-I108 HydrophobicContact CG-CD1 4.06Å; L81-I108 HydrophobicContact CG-CG2 4.27Å; L100-I108 HydrophobicContact CD1-CD1 4.28Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 3.27Å; S104-I108 PolarHBondContact O-N 3.24Å; I105-I108 PolarHBondContact O-N 3.3Å; D106-I108 VanDerWaalsContact C-N 3.28Å; D106-I108 PolarHBondContact O-N 3.38Å; I108-K112 WeakPolarHBondContact O-CG 3.38Å; I108-K112 PolarHBondContact O-N 3.34Å
109	R	95.3	Very high	95.5	Very high	158 Å²	158	55.8 Å²	55.8	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-63.2	-48.3	176.4	-77	169.7	175	164.8	-4.2	111.6	I105 D106 T107 I111 K112 E113	I105-R109 VanDerWaalsContact O-CG 3.31Å; I105-R109 WeakPolarHBondContact O-CG 3.23Å; I105-R109 PolarHBondContact O-N 3.08Å; D106-R109 PolarHBondContact O-N 2.76Å; D106-R109 VanDerWaalsContact O-N 3.13Å; D106-R109 IonicContact OD1-NH1 3.63Å; D106-R109 PolarHBondContact OD1-NH1 3.43Å; T107-R109 PolarHBondContact O-N 3.41Å; R109-I111 PolarHBondContact O-N 3Å; R109-K112 WeakPolarHBondContact O-CB 3.31Å; R109-K112 PolarHBondContact O-N 3.3Å; R109-E113 PolarHBondContact O-N 3.39Å
110	E	96.7	Very high	95.5	Very high	79 Å²	79	56 Å²	56	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-46.1	178.3	-73.2	179.7	-138.3	0	0	111.3	V15 D106 T107 K112 E113 I114	V15-E110 HydrophobicContact CG1-CB 4.05Å; V15-E110 HydrophobicContact CG2-CB 4.26Å; D106-E110 PolarHBondContact O-N 3.26Å; T107-E110 PolarHBondContact O-N 2.88Å; E110-K112 VanDerWaalsContact C-N 3.27Å; E110-K112 PolarHBondContact O-N 2.97Å; E110-E113 WeakPolarHBondContact O-CB 3.37Å; E110-E113 PolarHBondContact O-N 3.39Å; E110-I114 WeakPolarHBondContact O-CG1 3.3Å; E110-I114 PolarHBondContact O-N 3.32Å; E110-I114 VanDerWaalsContact O-N 3.08Å
111	I	97.4	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-39.8	177	-73.5	170.8	0	0	0	111.7	V15 T20 L35 L81 L100 T107 R109 E113 I114 I115	V15-I111 HydrophobicContact CG2-CG1 4.42Å; T20-I111 HydrophobicContact CG2-CG1 4.4Å; L35-I111 HydrophobicContact CD1-CG2 3.86Å; L35-I111 HydrophobicContact CD2-CG2 4.04Å; L81-I111 HydrophobicContact CD2-CB 4.38Å; L81-I111 HydrophobicContact CD2-CG2 3.74Å; L100-I111 HydrophobicContact CD1-CD1 3.47Å; L100-I111 VanDerWaalsContact CD1-CD1 3.47Å; L100-I111 HydrophobicContact CD2-CD1 3.59Å; L100-I111 HydrophobicContact CG-CD1 4.18Å; T107-I111 HydrophobicContact CG2-CD1 3.62Å; T107-I111 HydrophobicContact CG2-CG1 4.44Å; T107-I111 WeakPolarHBondContact O-CB 3.42Å; T107-I111 WeakPolarHBondContact O-CD1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 3.45Å; R109-I111 PolarHBondContact O-N 3Å; I111-E113 VanDerWaalsContact C-N 3.29Å; I111-E113 PolarHBondContact O-N 3.4Å; I111-I114 PolarHBondContact O-N 2.79Å; I111-I114 VanDerWaalsContact O-N 3.14Å; I111-I115 HydrophobicContact CG2-CD1 3.8Å; I111-I115 HydrophobicContact CG2-CG1 4.28Å; I111-I115 WeakPolarHBondContact O-CG1 3.35Å; I111-I115 PolarHBondContact O-N 3.25Å
112	K	97.5	Very high	95.7	Very high	51 Å²	51	54.5 Å²	54.5	22%	0.222	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-39	175.5	-75.1	-176.5	178.6	-174.3	0	112.4	N80 L81 F84 I108 R109 E110 I114 I115 K116	N80-K112 WeakPolarHBondContact O-CE 3.34Å; N80-K112 PolarHBondContact O-NZ 3.47Å; N80-K112 WeakPolarHBondContact OD1-CE 3.28Å; N80-K112 PolarHBondContact OD1-NZ 2.99Å; L81-K112 HydrophobicContact CD2-CG 3.99Å; F84-K112 HydrophobicContact CD1-CD 4.34Å; F84-K112 HydrophobicContact CD1-CG 4.42Å; F84-K112 HydrophobicContact CE1-CB 4.3Å; F84-K112 HydrophobicContact CE1-CD 4.21Å; F84-K112 HydrophobicContact CE1-CG 3.8Å; F84-K112 HydrophobicContact CZ-CG 4.47Å; I108-K112 WeakPolarHBondContact O-CG 3.38Å; I108-K112 PolarHBondContact O-N 3.34Å; R109-K112 WeakPolarHBondContact O-CB 3.31Å; R109-K112 PolarHBondContact O-N 3.3Å; E110-K112 VanDerWaalsContact C-N 3.27Å; E110-K112 PolarHBondContact O-N 2.97Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-I115 PolarHBondContact O-N 2.92Å; K112-K116 WeakPolarHBondContact O-CG 3.36Å; K112-K116 PolarHBondContact O-N 2.83Å
113	E	97.4	Very high	96	Very high	106 Å²	106	54.6 Å²	54.6	50%	0.495	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-36.1	175.6	-61.6	-50.8	126.2	0	0	111.9	R109 E110 I111 K116 S117	R109-E113 PolarHBondContact O-N 3.39Å; E110-E113 WeakPolarHBondContact O-CB 3.37Å; E110-E113 PolarHBondContact O-N 3.39Å; I111-E113 VanDerWaalsContact C-N 3.29Å; I111-E113 PolarHBondContact O-N 3.4Å; E113-K116 PolarHBondContact O-N 3.19Å; E113-K116 IonicContact OE1-NZ 2.76Å; E113-K116 PolarHBondContact OE1-NZ 2.92Å; E113-K116 IonicContact OE2-NZ 3.24Å; E113-S117 PolarHBondContact O-N 3.38Å
114	I	98	Very high	96.3	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-47.5	172.8	-51.2	175.2	0	0	0	110.4	A11 K13 V15 V22 E110 I111 K112 K116 S117 C118	A11-I114 HydrophobicContact CB-CG2 3.93Å; K13-I114 HydrophobicContact CB-CD1 3.92Å; K13-I114 HydrophobicContact CB-CG1 4.38Å; K13-I114 HydrophobicContact CD-CG1 4.18Å; V15-I114 HydrophobicContact CG2-CD1 3.54Å; V22-I114 HydrophobicContact CB-CG2 3.75Å; V22-I114 HydrophobicContact CG1-CG2 4.49Å; V22-I114 HydrophobicContact CG2-CB 3.97Å; V22-I114 HydrophobicContact CG2-CG2 3.5Å; V22-I114 VanDerWaalsContact CG2-CG2 3.5Å; E110-I114 WeakPolarHBondContact O-CG1 3.3Å; E110-I114 PolarHBondContact O-N 3.32Å; E110-I114 VanDerWaalsContact O-N 3.08Å; I111-I114 PolarHBondContact O-N 2.79Å; I111-I114 VanDerWaalsContact O-N 3.14Å; K112-I114 VanDerWaalsContact C-N 3.35Å; I114-K116 VanDerWaalsContact C-N 3.29Å; I114-K116 PolarHBondContact O-N 3.48Å; I114-S117 WeakPolarHBondContact O-CB 3.34Å; I114-S117 PolarHBondContact O-N 3.49Å; I114-S117 PolarHBondContact O-OG 3.2Å; I114-C118 PolarHBondContact O-N 3.02Å
115	I	98.3	Very high	96.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-43.5	177.7	-68.8	166.4	0	0	0	111.1	V22 L35 L81 F84 I85 I111 K112 S117 C118 K119 W121	V22-I115 HydrophobicContact CG1-CG1 3.81Å; L35-I115 HydrophobicContact CD1-CD1 4.15Å; L35-I115 HydrophobicContact CD2-CD1 3.85Å; L35-I115 HydrophobicContact CD2-CG1 3.8Å; L81-I115 HydrophobicContact CD2-CD1 4.24Å; F84-I115 HydrophobicContact CE1-CG2 4.42Å; F84-I115 HydrophobicContact CE2-CG2 4.29Å; F84-I115 HydrophobicContact CZ-CB 4.05Å; F84-I115 HydrophobicContact CZ-CG2 3.57Å; I85-I115 HydrophobicContact CD1-CD1 4.33Å; I85-I115 HydrophobicContact CD1-CG2 3.61Å; I85-I115 HydrophobicContact CG1-CG2 3.97Å; I111-I115 HydrophobicContact CG2-CD1 3.8Å; I111-I115 HydrophobicContact CG2-CG1 4.28Å; I111-I115 WeakPolarHBondContact O-CG1 3.35Å; I111-I115 PolarHBondContact O-N 3.25Å; K112-I115 PolarHBondContact O-N 2.92Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 2.86Å; I115-C118 CarbonylContact O-C 3.6Å; I115-C118 WeakPolarHBondContact O-CA 3.26Å; I115-C118 PolarHBondContact O-N 2.79Å; I115-K119 PolarHBondContact O-N 3.38Å; I115-W121 HydrophobicContact CG2-CH2 3.86Å
116	K	97.6	Very high	96.7	Very high	96 Å²	96	50.8 Å²	50.8	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-37.6	175.8	-73.6	171.6	-176.5	171.9	0	112.4	F84 K112 E113 I114 C118 K119	F84-K116 HydrophobicContact CE2-CG 4.01Å; F84-K116 HydrophobicContact CZ-CG 4.46Å; K112-K116 WeakPolarHBondContact O-CG 3.36Å; K112-K116 PolarHBondContact O-N 2.83Å; E113-K116 PolarHBondContact O-N 3.19Å; E113-K116 IonicContact OE1-NZ 2.76Å; E113-K116 PolarHBondContact OE1-NZ 2.92Å; E113-K116 IonicContact OE2-NZ 3.24Å; I114-K116 VanDerWaalsContact C-N 3.29Å; I114-K116 PolarHBondContact O-N 3.48Å; K116-C118 PolarHBondContact O-N 3.16Å; K116-K119 VanDerWaalsContact O-CB 3.28Å; K116-K119 WeakPolarHBondContact O-CB 3.35Å; K116-K119 PolarHBondContact O-N 3.19Å
117	S	97.5	Very high	96.9	Very high	56 Å²	56	48.3 Å²	48.3	39%	0.392	22%	0.218	S	C	.	.	H	α-helix	trans	-67.6	-23.5	175.2	76.9	0	0	0	0	113.3	E113 I114 I115	E113-S117 PolarHBondContact O-N 3.38Å; I114-S117 WeakPolarHBondContact O-CB 3.34Å; I114-S117 PolarHBondContact O-N 3.49Å; I114-S117 PolarHBondContact O-OG 3.2Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 2.86Å
118	C	97.4	Very high	97	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	15.5	174.4	-63.9	0	0	0	0	113.6	R9 A11 V22 C24 I114 I115 K116 V120	R9-C118 HydrophobicContact CB-CB 4.27Å; A11-C118 WeakPolarHBondContact CB-SG 3.5Å; A11-C118 PolarHBondContact N-SG 3.02Å; V22-C118 HydrophobicContact CG1-CB 4.37Å; C24-C118 HydrophobicContact CB-CB 4.05Å; C24-C118 VanDerWaalsContact CB-O 3.3Å; C24-C118 WeakPolarHBondContact CB-O 3.39Å; I114-C118 PolarHBondContact O-N 3.02Å; I115-C118 CarbonylContact O-C 3.6Å; I115-C118 WeakPolarHBondContact O-CA 3.26Å; I115-C118 PolarHBondContact O-N 2.79Å; K116-C118 PolarHBondContact O-N 3.16Å; C118-V120 PolarHBondContact O-N 3.19Å
119	K	97.4	Very high	97.1	Very high	88 Å²	88	54.7 Å²	54.7	38%	0.383	25%	0.246	S	C	.	.			trans	-56	125.6	-176.5	179.2	163.6	179.3	163.9	0	112.6	R9 E88 I115 K116 W121	R9-K119 WeakPolarHBondContact CD-O 3.45Å; E88-K119 IonicContact OE2-NZ 2.71Å; E88-K119 PolarHBondContact OE2-NZ 3.09Å; I115-K119 PolarHBondContact O-N 3.38Å; K116-K119 VanDerWaalsContact O-CB 3.28Å; K116-K119 WeakPolarHBondContact O-CB 3.35Å; K116-K119 PolarHBondContact O-N 3.19Å; K119-W121 HydrophobicContact CB-CH2 4.19Å; K119-W121 HydrophobicContact CB-CZ2 4.17Å; K119-W121 HydrophobicContact CD-CZ2 4.1Å; K119-W121 VanDerWaalsContact CE-NE1 3.29Å; K119-W121 WeakPolarHBondContact CE-O 3.42Å; K119-W121 HydrophobicContact CG-CD2 3.92Å; K119-W121 HydrophobicContact CG-CE3 4.34Å; K119-W121 HydrophobicContact CG-CG 4.35Å; K119-W121 HydrophobicContact CG-CH2 4.28Å; K119-W121 HydrophobicContact CG-CZ2 3.88Å
120	V	97.1	Very high	97.3	Very high	12 Å²	12	46.1 Å²	46.1	7%	0.073	22%	0.217	C	C	.	.			trans	-126.1	-6.2	178.8	-70.7	0	0	0	0	113.6	K7 R9 C24 Q26 C118	K7-V120 HydrophobicContact CB-CB 4.38Å; K7-V120 HydrophobicContact CB-CG1 4.5Å; R9-V120 HydrophobicContact CB-CG1 3.81Å; R9-V120 HydrophobicContact CG-CG1 3.67Å; C24-V120 HydrophobicContact CB-CG2 3.83Å; Q26-V120 HydrophobicContact CB-CB 4.16Å; Q26-V120 HydrophobicContact CB-CG2 3.9Å; Q26-V120 VanDerWaalsContact CD-O 3.24Å; Q26-V120 PolarHBondContact OE1-O 2.86Å; C118-V120 PolarHBondContact O-N 3.19Å
121	W	95.1	Very high	97.3	Very high	58 Å²	58	43.1 Å²	43.1	22%	0.22	20%	0.204	C	C	.	.			trans	-90.5	0	176	56.1	93.2	0	0	0	112	C24 I31 F84 I85 E88 A89 I115 K119	C24-W121 HydrophobicContact CB-CZ3 4.29Å; I31-W121 HydrophobicContact CD1-CB 4.02Å; I31-W121 HydrophobicContact CG2-CE3 4.16Å; I31-W121 HydrophobicContact CG2-CZ3 4.48Å; F84-W121 HydrophobicContact CE2-CZ2 4.34Å; I85-W121 HydrophobicContact CB-CH2 4.46Å; I85-W121 HydrophobicContact CB-CZ2 4.43Å; I85-W121 HydrophobicContact CG1-CH2 4.23Å; I85-W121 HydrophobicContact CG1-CZ2 4.41Å; I85-W121 HydrophobicContact CG2-CD2 4.03Å; I85-W121 HydrophobicContact CG2-CE3 3.81Å; I85-W121 HydrophobicContact CG2-CH2 3.77Å; I85-W121 HydrophobicContact CG2-CZ2 3.95Å; I85-W121 HydrophobicContact CG2-CZ3 3.69Å; E88-W121 PolarHBondContact OE2-NE1 3.41Å; E88-W121 VanDerWaalsContact OE2-NE1 3.08Å; A89-W121 HydrophobicContact CB-CB 3.65Å; A89-W121 HydrophobicContact CB-CG 3.81Å; I115-W121 HydrophobicContact CG2-CH2 3.86Å; K119-W121 HydrophobicContact CB-CH2 4.19Å; K119-W121 HydrophobicContact CB-CZ2 4.17Å; K119-W121 HydrophobicContact CD-CZ2 4.1Å; K119-W121 VanDerWaalsContact CE-NE1 3.29Å; K119-W121 WeakPolarHBondContact CE-O 3.42Å; K119-W121 HydrophobicContact CG-CD2 3.92Å; K119-W121 HydrophobicContact CG-CE3 4.34Å; K119-W121 HydrophobicContact CG-CG 4.35Å; K119-W121 HydrophobicContact CG-CH2 4.28Å; K119-W121 HydrophobicContact CG-CZ2 3.88Å

Retrieved 121 of 121 residues in 139 ms (Link to these results)

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