A0A077Z4H8_TRITR Loading...

C2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4H8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077Z4H8_TRITR|A0A077Z4H8
MQSFTGKVRVKVVEASDLKPTEWSTRFAALAGSGGRTVPFIDPYVNVDIDEYLICRTSAKTKSNNPRWDETITANANQSTSLGLTVFHDCAIPPDDFVANCRVNFEDLQLGQNDLWVRQQSVHVERQR
					

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	63.7	Low	91.5	Very high	210 Å²	210	97.1 Å²	97.1	100%	1.034	48%	0.477	S	S	*	.				0	123.9	0	-74.5	-174.6	-86.8	0	0	107.4
2	Q	84.1	Confident	91.9	Very high	147 Å²	147	90.2 Å²	90.2	69%	0.687	44%	0.444	S	S	*	.			trans	-80.1	135.8	173.9	-72.6	175.5	88	0	0	108.9	E106	Q2-E106 HydrophobicContact CB-CB 4.21Å; Q2-E106 PolarHBondContact N-OE2 3.24Å
3	S	93.4	Very high	92.3	Very high	66 Å²	66	87.5 Å²	87.5	46%	0.462	44%	0.436	S	S	.	.			trans	-106.6	141	178.1	63.8	0	0	0	0	110.4	S79	S3-S79 CarbonylContact C-O 3.59Å
4	F	95.4	Very high	92.7	Very high	50 Å²	50	87.6 Å²	87.6	22%	0.219	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.9	176	178.9	-104	0	0	0	111.3	V8 A76 Q78 S79 F105 L110	F4-V8 HydrophobicContact CD1-CG2 4.1Å; F4-V8 HydrophobicContact CE1-CG2 3.65Å; F4-A76 HydrophobicContact CD1-CB 3.6Å; F4-A76 HydrophobicContact CE1-CB 3.98Å; F4-Q78 PolarHBondContact O-N 2.95Å; F4-S79 PolarHBondContact N-O 3.03Å; F4-S79 PolarHBondContact O-N 3.37Å; F4-F105 HydrophobicContact CB-CB 3.57Å; F4-F105 HydrophobicContact CB-CD1 4.42Å; F4-F105 HydrophobicContact CB-CD2 3.95Å; F4-F105 HydrophobicContact CB-CG 3.74Å; F4-F105 HydrophobicContact CD1-CD1 4.12Å; F4-F105 HydrophobicContact CD1-CD2 4.45Å; F4-F105 HydrophobicContact CD1-CE1 4.33Å; F4-F105 HydrophobicContact CD1-CG 4.21Å; F4-F105 HydrophobicContact CG-CB 4.24Å; F4-F105 HydrophobicContact CG-CD1 4.35Å; F4-F105 HydrophobicContact CG-CG 4.16Å; F4-L110 HydrophobicContact CD2-CD2 4.41Å; F4-L110 HydrophobicContact CE2-CD2 3.79Å
5	T	96.1	Very high	92.9	Very high	87 Å²	87	82.3 Å²	82.3	53%	0.534	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.3	168.7	-64.8	0	0	0	0	108.3	A76 Q78	T5-A76 WeakPolarHBondContact CA-O 3.1Å; T5-Q78 PolarHBondContact OG1-N 3.09Å
6	G	95.4	Very high	92.9	Very high	25 Å²	25	80.4 Å²	80.4	26%	0.258	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157	-169.2	-177.9	0	0	0	0	0	113.2	N75 A76	G6-N75 WeakPolarHBondContact O-CA 3.28Å; G6-A76 PolarHBondContact N-O 3.03Å; G6-A76 PolarHBondContact O-N 2.91Å
7	K	95.9	Very high	92.8	Very high	150 Å²	150	83.1 Å²	83.1	65%	0.652	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.9	180	-170.2	175	-177.1	175.7	0	110.2	T73	K7-T73 HydrophobicContact CD-CG2 4.1Å; K7-T73 HydrophobicContact CG-CG2 3.94Å
8	V	95	Very high	92.8	Very high	16 Å²	16	78.7 Å²	78.7	10%	0.097	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.3	174.7	-173.6	0	0	0	0	108.4	F4 V10 I49 T73 A74 A76 F105	F4-V8 HydrophobicContact CD1-CG2 4.1Å; F4-V8 HydrophobicContact CE1-CG2 3.65Å; V8-V10 HydrophobicContact CG1-CG2 3.73Å; V8-I49 HydrophobicContact CB-CD1 4.45Å; V8-I49 HydrophobicContact CG2-CD1 4.28Å; V8-T73 CarbonylContact O-C 3.57Å; V8-T73 WeakPolarHBondContact O-CA 2.95Å; V8-A74 PolarHBondContact N-O 3.08Å; V8-A74 PolarHBondContact O-N 2.92Å; V8-A76 HydrophobicContact CG2-CB 3.69Å; V8-F105 HydrophobicContact CG1-CE1 4Å; V8-F105 HydrophobicContact CG1-CZ 4.36Å; V8-F105 HydrophobicContact CG2-CE1 3.69Å; V8-F105 HydrophobicContact CG2-CZ 3.76Å
9	R	96.3	Very high	92.6	Very high	189 Å²	189	82.9 Å²	82.9	71%	0.713	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.9	172.9	-177.4	179.4	65.6	177.7	0.2	108.7	T71 I72	R9-T71 HydrophobicContact CG-CG2 3.81Å; R9-I72 CarbonylContact C-O 3.55Å; R9-I72 WeakPolarHBondContact CA-O 3.34Å
10	V	94.7	Very high	92.3	Very high	18 Å²	18	80.1 Å²	80.1	11%	0.109	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.3	-177.5	-173.1	0	0	0	0	108.3	V8 V12 T71 I72 L82	V8-V10 HydrophobicContact CG1-CG2 3.73Å; V10-V12 HydrophobicContact CG1-CG2 4.32Å; V10-T71 CarbonylContact O-C 3.44Å; V10-T71 WeakPolarHBondContact O-CA 3.19Å; V10-I72 HydrophobicContact CB-CG2 3.7Å; V10-I72 HydrophobicContact CG2-CG2 4.34Å; V10-I72 PolarHBondContact N-O 3.4Å; V10-I72 PolarHBondContact O-N 3Å; V10-L82 HydrophobicContact CG1-CD2 4.12Å; V10-L82 HydrophobicContact CG2-CD1 3.83Å; V10-L82 HydrophobicContact CG2-CD2 3.64Å; V10-L82 HydrophobicContact CG2-CG 4.41Å
11	K	96.5	Very high	91.9	Very high	110 Å²	110	78.1 Å²	78.1	48%	0.478	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.3	167.3	-176	-179.1	178.4	-164	0	108.4	V13 D69 E70 T71	K11-V13 HydrophobicContact CD-CG2 4.07Å; K11-V13 HydrophobicContact CG-CG2 4.01Å; K11-V13 PolarHBondContact O-N 3.18Å; K11-D69 VanDerWaalsContact CE-OD1 3.24Å; K11-D69 WeakPolarHBondContact CE-OD1 3.32Å; K11-D69 IonicContact NZ-OD1 2.79Å; K11-D69 PolarHBondContact NZ-OD1 3.2Å; K11-E70 CarbonylContact C-O 3.5Å; K11-E70 WeakPolarHBondContact CA-O 3.32Å; K11-T71 WeakPolarHBondContact CG-OG1 3.41Å
12	V	96.3	Very high	92.7	Very high	14 Å²	14	76.2 Å²	76.2	9%	0.085	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.7	172.1	-174.8	0	0	0	0	107.2	V10 V45 V47 T57 W68 D69 E70 L84	V10-V12 HydrophobicContact CG1-CG2 4.32Å; V12-V45 HydrophobicContact CG1-CB 4.24Å; V12-V45 HydrophobicContact CG1-CG2 3.92Å; V12-V47 HydrophobicContact CG2-CG2 3.89Å; V12-T57 HydrophobicContact CB-CG2 4.14Å; V12-T57 HydrophobicContact CG1-CG2 4.28Å; V12-T57 HydrophobicContact CG2-CG2 4.21Å; V12-W68 HydrophobicContact CG1-CB 4.48Å; V12-W68 HydrophobicContact CG1-CD2 4.16Å; V12-W68 HydrophobicContact CG1-CE3 3.66Å; V12-W68 HydrophobicContact CG1-CZ3 4.17Å; V12-D69 WeakPolarHBondContact O-CA 3.28Å; V12-D69 PolarHBondContact O-N 3.11Å; V12-E70 PolarHBondContact N-O 2.95Å; V12-E70 PolarHBondContact O-N 3.09Å; V12-E70 VanDerWaalsContact O-N 3.09Å; V12-L84 HydrophobicContact CG2-CD2 4.1Å
13	V	97.5	Very high	92.4	Very high	56 Å²	56	76 Å²	76	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-68.7	-174.1	-176.3	0	0	0	0	110.4	K11 R67 W68 D69	K11-V13 HydrophobicContact CD-CG2 4.07Å; K11-V13 HydrophobicContact CG-CG2 4.01Å; K11-V13 PolarHBondContact O-N 3.18Å; V13-R67 CarbonylContact O-C 3.5Å; V13-R67 WeakPolarHBondContact O-CA 3.39Å; V13-W68 PolarHBondContact O-N 3.29Å; V13-D69 PolarHBondContact O-N 2.8Å
14	E	97.1	Very high	91.6	Very high	88 Å²	88	73.8 Å²	73.8	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	166.7	-174.3	62.4	-174	-161.3	0	0	111.5	P66 R67 W116	E14-P66 CarbonylContact C-O 3.53Å; E14-P66 WeakPolarHBondContact CA-O 3.5Å; E14-P66 VanDerWaalsContact CB-O 3.24Å; E14-P66 WeakPolarHBondContact CB-O 3.39Å; E14-R67 HydrophobicContact CB-CB 4.24Å; E14-R67 HydrophobicContact CB-CG 4.27Å; E14-R67 IonicContact OE2-NE 4Å; E14-W116 HydrophobicContact CG-CH2 3.63Å; E14-W116 HydrophobicContact CG-CZ2 4.13Å; E14-W116 HydrophobicContact CG-CZ3 4.45Å; E14-W116 WeakPolarHBondContact OE1-CH2 3.43Å; E14-W116 VanDerWaalsContact OE1-CZ2 3.28Å; E14-W116 WeakPolarHBondContact OE1-CZ2 3.41Å
15	A	95.5	Very high	90.7	Very high	8 Å²	8	72.8 Å²	72.8	7%	0.066	36%	0.36	C	S	.	.			trans	-128	148.7	165.4	0	0	0	0	0	108.7	L18 N65 P66 W68	A15-L18 HydrophobicContact CB-CD1 4.19Å; A15-L18 HydrophobicContact CB-CD2 4.02Å; A15-L18 HydrophobicContact CB-CG 4.07Å; A15-N65 CarbonylContact O-C 3.59Å; A15-N65 WeakPolarHBondContact O-CA 3.42Å; A15-P66 HydrophobicContact CB-CG 4.04Å; A15-P66 PolarHBondContact N-O 3.38Å; A15-P66 WeakPolarHBondContact O-CD 3.4Å; A15-W68 HydrophobicContact CB-CH2 3.78Å; A15-W68 HydrophobicContact CB-CZ3 3.7Å
16	S	93.2	Very high	89.7	Confident	52 Å²	52	72.5 Å²	72.5	36%	0.364	35%	0.349	S	S	.	.			trans	-119.7	150	175.5	53.3	0	0	0	0	110.8	L18 N65	S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 2.96Å; S16-L18 VanDerWaalsContact O-N 3.17Å; S16-N65 VanDerWaalsContact CA-OD1 3.31Å; S16-N65 WeakPolarHBondContact CA-OD1 3.49Å
17	D	92.2	Very high	88.6	Confident	126 Å²	126	77.9 Å²	77.9	67%	0.674	37%	0.365	S	S	*	.	S	Bend	trans	53	38.1	172.7	-59.8	-43.6	0	0	0	114.5	K19 N64 N65	D17-K19 PolarHBondContact O-N 3.26Å; D17-N64 PolarHBondContact N-O 2.79Å; D17-N65 PolarHBondContact N-OD1 2.76Å
18	L	92.3	Very high	87.3	Confident	5 Å²	5	73 Å²	73	3%	0.026	35%	0.353	C	S	.	.			trans	-58.4	131.9	172.2	-66.5	179.4	0	0	0	109.5	A15 S16 P20 I41 P43 N64 P66 V86 V98 Q119	A15-L18 HydrophobicContact CB-CD1 4.19Å; A15-L18 HydrophobicContact CB-CD2 4.02Å; A15-L18 HydrophobicContact CB-CG 4.07Å; S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 2.96Å; S16-L18 VanDerWaalsContact O-N 3.17Å; L18-P20 WeakPolarHBondContact O-CD 3.41Å; L18-I41 HydrophobicContact CB-CD1 4.19Å; L18-I41 HydrophobicContact CD1-CD1 4.07Å; L18-P43 HydrophobicContact CD1-CB 3.75Å; L18-P43 HydrophobicContact CD1-CG 4Å; L18-N64 HydrophobicContact CB-CB 4.39Å; L18-N64 WeakPolarHBondContact CB-O 3.48Å; L18-N64 PolarHBondContact N-O 2.89Å; L18-N64 WeakPolarHBondContact O-CB 3.49Å; L18-P66 HydrophobicContact CD1-CG 3.76Å; L18-V86 HydrophobicContact CD1-CG1 3.99Å; L18-V86 HydrophobicContact CD2-CG1 4.17Å; L18-V86 HydrophobicContact CD2-CG2 4.42Å; L18-V98 HydrophobicContact CD2-CG1 4.36Å; L18-Q119 VanDerWaalsContact CD2-NE2 3.28Å; L18-Q119 VanDerWaalsContact CD2-OE1 3.25Å
19	K	89.7	Confident	85.9	Confident	158 Å²	158	75.9 Å²	75.9	69%	0.687	38%	0.379	S	S	*	.			trans	-100.4	108.5	177	-66.4	-176.5	-178.9	179.4	0	108.9	D17 T21	D17-K19 PolarHBondContact O-N 3.26Å; K19-T21 PolarHBondContact O-N 3.15Å
20	P	86.2	Confident	84.4	Confident	27 Å²	27	73.7 Å²	73.7	18%	0.175	38%	0.38	C	S	.	.			trans	-52.8	137.3	168.4	-25.1	34.3	0	0	0	110.3	L18 T25 P39 I41	L18-P20 WeakPolarHBondContact O-CD 3.41Å; P20-T25 HydrophobicContact CB-CG2 3.43Å; P20-T25 VanDerWaalsContact CB-CG2 3.43Å; P20-T25 HydrophobicContact CG-CG2 4.46Å; P20-P39 HydrophobicContact CB-CG 4.24Å; P20-P39 HydrophobicContact CG-CG 4.18Å; P20-P39 VanDerWaalsContact CG-O 3.29Å; P20-P39 WeakPolarHBondContact CG-O 3.29Å; P20-I41 HydrophobicContact CB-CG2 3.77Å; P20-I41 HydrophobicContact CG-CG1 4.44Å; P20-I41 HydrophobicContact CG-CG2 3.96Å
21	T	84.1	Confident	83	Confident	39 Å²	39	76.4 Å²	76.4	24%	0.239	41%	0.405	C	S	.	.			trans	-72.9	165.9	174	79	0	0	0	0	110.4	K19 W23 S24 T25 D96 F97	K19-T21 PolarHBondContact O-N 3.15Å; T21-W23 PolarHBondContact O-N 2.71Å; T21-W23 WeakPolarHBondContact OG1-CB 3.46Å; T21-W23 PolarHBondContact OG1-N 2.83Å; T21-W23 VanDerWaalsContact OG1-N 3.07Å; T21-S24 PolarHBondContact O-N 2.7Å; T21-S24 PolarHBondContact OG1-N 2.89Å; T21-T25 WeakPolarHBondContact O-CG2 3.4Å; T21-T25 PolarHBondContact O-N 3.27Å; T21-T25 PolarHBondContact O-OG1 2.85Å; T21-T25 VanDerWaalsContact O-OG1 3.12Å; T21-D96 PolarHBondContact OG1-OD2 2.7Å; T21-F97 WeakPolarHBondContact CG2-O 3.33Å
22	E	79.6	Confident	81.1	Confident	169 Å²	169	74.2 Å²	74.2	79%	0.79	41%	0.414	S	S	*	.	H	α-helix	trans	-56.4	-34.3	169.7	-62.4	-171.6	160.1	0	0	112	T25 R26	E22-T25 WeakPolarHBondContact CA-OG1 3.39Å; E22-T25 PolarHBondContact O-N 3.22Å; E22-T25 PolarHBondContact O-OG1 2.98Å; E22-T25 VanDerWaalsContact O-OG1 3.11Å; E22-R26 PolarHBondContact O-N 2.81Å
23	W	78.5	Confident	79.2	Confident	143 Å²	143	76.7 Å²	76.7	54%	0.542	43%	0.432	S	S	.	.	H	α-helix	trans	-67.9	-45.3	179.5	-168.4	-110.5	0	0	0	111.9	T21 T25 R26	T21-W23 PolarHBondContact O-N 2.71Å; T21-W23 WeakPolarHBondContact OG1-CB 3.46Å; T21-W23 PolarHBondContact OG1-N 2.83Å; T21-W23 VanDerWaalsContact OG1-N 3.07Å; W23-T25 PolarHBondContact O-N 2.97Å; W23-R26 VanDerWaalsContact CE2-CZ 3.46Å; W23-R26 VanDerWaalsContact O-CG 3.32Å; W23-R26 WeakPolarHBondContact O-CG 3.43Å; W23-R26 PolarHBondContact O-NH1 2.95Å
24	S	75.8	Confident	76.9	Confident	20 Å²	20	77.2 Å²	77.2	14%	0.14	45%	0.448	C	S	.	.	H	α-helix	trans	-58.1	-29.4	174	-75.3	0	0	0	0	112.9	T21 H88 D96	T21-S24 PolarHBondContact O-N 2.7Å; T21-S24 PolarHBondContact OG1-N 2.89Å; S24-H88 PolarHBondContact OG-CD2 2.88Å; S24-D96 WeakPolarHBondContact CB-OD2 3.3Å; S24-D96 PolarHBondContact N-OD2 2.83Å; S24-D96 VanDerWaalsContact N-OD2 3.11Å; S24-D96 PolarHBondContact OG-OD2 3.21Å
25	T	76.7	Confident	74.9	Confident	28 Å²	28	77 Å²	77	17%	0.172	47%	0.469	C	S	.	.	H	α-helix	trans	-101.2	-5.9	-169.4	60.9	0	0	0	0	114	P20 T21 E22 W23 F27 A28 A29 P39	P20-T25 HydrophobicContact CB-CG2 3.43Å; P20-T25 VanDerWaalsContact CB-CG2 3.43Å; P20-T25 HydrophobicContact CG-CG2 4.46Å; T21-T25 WeakPolarHBondContact O-CG2 3.4Å; T21-T25 PolarHBondContact O-N 3.27Å; T21-T25 PolarHBondContact O-OG1 2.85Å; T21-T25 VanDerWaalsContact O-OG1 3.12Å; E22-T25 WeakPolarHBondContact CA-OG1 3.39Å; E22-T25 PolarHBondContact O-N 3.22Å; E22-T25 PolarHBondContact O-OG1 2.98Å; E22-T25 VanDerWaalsContact O-OG1 3.11Å; W23-T25 PolarHBondContact O-N 2.97Å; T25-F27 VanDerWaalsContact C-N 3.28Å; T25-F27 PolarHBondContact O-N 3.49Å; T25-F27 VanDerWaalsContact O-N 3.12Å; T25-A28 PolarHBondContact O-N 3.08Å; T25-A29 PolarHBondContact O-N 2.96Å; T25-P39 HydrophobicContact CG2-CB 3.46Å; T25-P39 VanDerWaalsContact CG2-CB 3.46Å; T25-P39 HydrophobicContact CG2-CG 3.18Å
26	R	75.3	Confident	73	Confident	81 Å²	81	88 Å²	88	31%	0.306	51%	0.509	S	S	.	.	H	α-helix	trans	-52.7	-39.6	-173.3	72.3	-174.6	-179.4	-99.9	13.1	114.3	E22 W23 L30	E22-R26 PolarHBondContact O-N 2.81Å; W23-R26 VanDerWaalsContact CE2-CZ 3.46Å; W23-R26 VanDerWaalsContact O-CG 3.32Å; W23-R26 WeakPolarHBondContact O-CG 3.43Å; W23-R26 PolarHBondContact O-NH1 2.95Å; R26-L30 VanDerWaalsContact O-CG 3.3Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.22Å
27	F	73	Confident	71.6	Confident	138 Å²	138	90 Å²	90	61%	0.605	52%	0.519	S	S	*	.	H	α-helix	trans	-77.9	-35.1	-179.6	-65.9	-67.1	0	0	0	112.9	T25 A29 L30 A31	T25-F27 VanDerWaalsContact C-N 3.28Å; T25-F27 PolarHBondContact O-N 3.49Å; T25-F27 VanDerWaalsContact O-N 3.12Å; F27-A29 VanDerWaalsContact C-N 3.31Å; F27-L30 HydrophobicContact CD1-CD1 4.49Å; F27-L30 PolarHBondContact O-N 3.28Å; F27-A31 PolarHBondContact O-N 3.08Å
28	A	67.9	Low	70.5	Confident	47 Å²	47	88.7 Å²	88.7	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-65.6	-38.2	174.3	0	0	0	0	0	111.2	T25 L30 A31	T25-A28 PolarHBondContact O-N 3.08Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 2.82Å; A28-A31 PolarHBondContact O-N 2.8Å
29	A	66.5	Low	70.1	Confident	78 Å²	78	90.5 Å²	90.5	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-62	-39.4	173.9	0	0	0	0	0	112.1	T25 F27	T25-A29 PolarHBondContact O-N 2.96Å; F27-A29 VanDerWaalsContact C-N 3.31Å
30	L	64.7	Low	70.1	Confident	142 Å²	142	89 Å²	89	74%	0.743	52%	0.521	S	S	*	.	H	α-helix	trans	-71.6	-28.7	177.2	-71.2	174.2	0	0	0	113.7	R26 F27 A28 G32	R26-L30 VanDerWaalsContact O-CG 3.3Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.22Å; F27-L30 HydrophobicContact CD1-CD1 4.49Å; F27-L30 PolarHBondContact O-N 3.28Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 2.82Å; L30-G32 PolarHBondContact O-N 3.22Å
31	A	64.3	Low	70.4	Confident	75 Å²	75	87.7 Å²	87.7	62%	0.62	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	11.5	-176.6	0	0	0	0	0	114.5	F27 A28 S33	F27-A31 PolarHBondContact O-N 3.08Å; A28-A31 PolarHBondContact O-N 2.8Å; A31-S33 PolarHBondContact O-N 2.9Å
32	G	57.2	Low	70.9	Confident	65 Å²	65	88 Å²	88	67%	0.67	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	14.2	171.9	0	0	0	0	0	114.9	L30 G34	L30-G32 PolarHBondContact O-N 3.22Å; G32-G34 VanDerWaalsContact C-N 3.28Å; G32-G34 PolarHBondContact O-N 3.37Å
33	S	56.6	Low	71.7	Confident	66 Å²	66	79.9 Å²	79.9	46%	0.462	48%	0.475	S	S	.	.			trans	-71.5	87.5	171.3	-63	0	0	0	0	108.1	A31 G35	A31-S33 PolarHBondContact O-N 2.9Å; S33-G35 VanDerWaalsContact C-N 3.32Å; S33-G35 PolarHBondContact O-N 2.89Å
34	G	49.6	Very low	72.7	Confident	67 Å²	67	73.6 Å²	73.6	69%	0.691	45%	0.451	S	S	*	.			trans	-59.5	78.5	-167.2	0	0	0	0	0	115.6	G32 R36	G32-G34 VanDerWaalsContact C-N 3.28Å; G32-G34 PolarHBondContact O-N 3.37Å; G34-R36 WeakPolarHBondContact O-CG 3.22Å; G34-R36 PolarHBondContact O-N 3.13Å
35	G	54.6	Low	73.7	Confident	82 Å²	82	72.9 Å²	72.9	85%	0.845	45%	0.446	S	S	*	.	S	Bend	trans	62.3	0.9	167.6	0	0	0	0	0	117.1	S33	S33-G35 VanDerWaalsContact C-N 3.32Å; S33-G35 PolarHBondContact O-N 2.89Å
36	R	54.9	Low	74.7	Confident	239 Å²	239	72.9 Å²	72.9	90%	0.902	45%	0.445	S	S	*	.			trans	-102.7	-10.2	-168.3	-72.8	178.9	97.9	176.9	7.2	115.5	G34	G34-R36 WeakPolarHBondContact O-CG 3.22Å; G34-R36 PolarHBondContact O-N 3.13Å
37	T	64.6	Low	75.7	Confident	94 Å²	94	69 Å²	69	58%	0.577	43%	0.43	S	S	*	.	S	Bend	trans	-110.1	122.4	177.7	54	0	0	0	0	109.6	P39	T37-P39 WeakPolarHBondContact O-CD 3.08Å
38	V	69.4	Low	76.9	Confident	99 Å²	99	63.2 Å²	63.2	60%	0.6	41%	0.406	S	S	*	.			trans	-57.7	120.8	167.3	-177.4	0	0	0	0	106.5
39	P	83.7	Confident	78.3	Confident	43 Å²	43	61.5 Å²	61.5	28%	0.279	39%	0.39	S	S	.	.			trans	-63.9	148.4	179.7	24.2	-29.5	0	0	0	109.6	P20 T25 T37 N64	P20-P39 HydrophobicContact CB-CG 4.24Å; P20-P39 HydrophobicContact CG-CG 4.18Å; P20-P39 VanDerWaalsContact CG-O 3.29Å; P20-P39 WeakPolarHBondContact CG-O 3.29Å; T25-P39 HydrophobicContact CG2-CB 3.46Å; T25-P39 VanDerWaalsContact CG2-CB 3.46Å; T25-P39 HydrophobicContact CG2-CG 3.18Å; T37-P39 WeakPolarHBondContact O-CD 3.08Å; P39-N64 PolarHBondContact O-ND2 3.09Å
40	F	88.6	Confident	79.7	Confident	126 Å²	126	59.4 Å²	59.4	55%	0.553	37%	0.368	S	S	*	.			trans	-108.4	148.2	177.1	-63.8	-75.4	0	0	0	109.8	K62	F40-K62 HydrophobicContact CB-CB 3.85Å; F40-K62 HydrophobicContact CB-CG 4.36Å; F40-K62 WeakPolarHBondContact CD1-O 3.33Å; F40-K62 HydrophobicContact CG-CB 4.31Å
41	I	92.7	Very high	81.2	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	37%	0.369	C	S	.	.			trans	-112.1	167.4	172.3	47.5	163.6	0	0	0	110.5	L18 P20 P43 K62 S63 N64 H88 V98	L18-I41 HydrophobicContact CB-CD1 4.19Å; L18-I41 HydrophobicContact CD1-CD1 4.07Å; P20-I41 HydrophobicContact CB-CG2 3.77Å; P20-I41 HydrophobicContact CG-CG1 4.44Å; P20-I41 HydrophobicContact CG-CG2 3.96Å; I41-P43 HydrophobicContact CD1-CB 4.06Å; I41-P43 HydrophobicContact CD1-CG 4.48Å; I41-P43 WeakPolarHBondContact O-CD 3.26Å; I41-K62 CarbonylContact O-C 3.6Å; I41-K62 WeakPolarHBondContact O-CA 3.44Å; I41-K62 PolarHBondContact O-N 2.84Å; I41-S63 PolarHBondContact O-N 2.93Å; I41-N64 WeakPolarHBondContact CG1-OD1 3.35Å; I41-N64 PolarHBondContact N-OD1 3.5Å; I41-H88 HydrophobicContact CB-CB 4.02Å; I41-H88 HydrophobicContact CG2-CB 3.97Å; I41-V98 HydrophobicContact CD1-CB 4.5Å; I41-V98 HydrophobicContact CD1-CG1 3.97Å; I41-V98 HydrophobicContact CD1-CG2 3.82Å
42	D	95.3	Very high	82.7	Confident	44 Å²	44	65.8 Å²	65.8	24%	0.235	37%	0.374	C	S	.	.			trans	-104.2	75.4	171.4	-62.1	-32.8	0	0	0	109.6	K60 T61 K62 H88 D89	D42-K60 CarbonylContact C-O 3.57Å; D42-K60 VanDerWaalsContact CA-O 3.24Å; D42-K60 WeakPolarHBondContact CA-O 3.19Å; D42-T61 WeakPolarHBondContact OD1-CA 3.35Å; D42-K62 PolarHBondContact OD1-N 2.95Å; D42-H88 PolarHBondContact N-CE1 3.38Å; D42-H88 PolarHBondContact N-ND1 3.11Å; D42-H88 IonicContact OD2-CE1 2.83Å; D42-D89 HydrophobicContact CB-CB 4.05Å; D42-D89 WeakPolarHBondContact O-CB 3.24Å; D42-D89 PolarHBondContact O-N 3.12Å
43	P	96.6	Very high	84.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.2	-167.5	30.8	-40.5	0	0	0	113.9	L18 I41 A59 K60 S63 P66 W68 V86 F87	L18-P43 HydrophobicContact CD1-CB 3.75Å; L18-P43 HydrophobicContact CD1-CG 4Å; I41-P43 HydrophobicContact CD1-CB 4.06Å; I41-P43 HydrophobicContact CD1-CG 4.48Å; I41-P43 WeakPolarHBondContact O-CD 3.26Å; P43-A59 WeakPolarHBondContact O-CA 3.42Å; P43-K60 WeakPolarHBondContact CD-O 3.37Å; P43-K60 PolarHBondContact O-N 2.83Å; P43-S63 WeakPolarHBondContact CD-O 3.45Å; P43-S63 VanDerWaalsContact CG-O 3.25Å; P43-S63 WeakPolarHBondContact CG-O 3.23Å; P43-P66 HydrophobicContact CB-CG 4.19Å; P43-P66 HydrophobicContact CG-CB 3.64Å; P43-P66 HydrophobicContact CG-CG 3.53Å; P43-W68 HydrophobicContact CB-CZ2 4.08Å; P43-W68 HydrophobicContact CG-CZ2 4.37Å; P43-W68 PolarHBondContact O-NE1 3.3Å; P43-V86 HydrophobicContact CB-CG1 4.07Å; P43-F87 VanDerWaalsContact CA-O 3.23Å; P43-F87 WeakPolarHBondContact CA-O 3.21Å
44	Y	98	Very high	86.5	Confident	11 Å²	11	67.2 Å²	67.2	4%	0.043	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	166.2	162.6	68.5	-96.3	0	0	0	110.5	N46 R56 V86 F87 D89 D95	Y44-N46 WeakPolarHBondContact CE2-OD1 3.4Å; Y44-R56 VanDerWaalsContact CD1-NH2 3.33Å; Y44-R56 HydrophobicContact CD2-CG 3.59Å; Y44-R56 HydrophobicContact CE2-CG 3.91Å; Y44-R56 HydrophobicContact CG-CG 4.25Å; Y44-V86 WeakPolarHBondContact O-CA 3.21Å; Y44-F87 HydrophobicContact CD1-CB 4.24Å; Y44-F87 HydrophobicContact CD2-CB 4.34Å; Y44-F87 HydrophobicContact CE1-CB 3.66Å; Y44-F87 HydrophobicContact CE2-CB 3.76Å; Y44-F87 AromaticContact CE2-CD2 3.86Å; Y44-F87 HydrophobicContact CE2-CD2 3.86Å; Y44-F87 HydrophobicContact CE2-CG 4.12Å; Y44-F87 VanDerWaalsContact CZ-CB 3.41Å; Y44-F87 AromaticContact CZ-CG 3.96Å; Y44-F87 PolarHBondContact N-O 3.23Å; Y44-F87 PolarHBondContact O-N 3.07Å; Y44-D89 HydrophobicContact CD1-CB 3.96Å; Y44-D89 HydrophobicContact CE1-CB 4.09Å; Y44-D95 HydrophobicContact CE1-CB 4.35Å; Y44-D95 VanDerWaalsContact CE1-OD2 3.29Å; Y44-D95 WeakPolarHBondContact CE1-OD2 3.4Å; Y44-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y44-D95 PolarHBondContact OH-OD2 2.78Å
45	V	97.4	Very high	88.7	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125	177.7	-174.3	0	0	0	0	110.1	V12 V47 R56 T57 W68 L84 T85 V86	V12-V45 HydrophobicContact CG1-CB 4.24Å; V12-V45 HydrophobicContact CG1-CG2 3.92Å; V45-V47 HydrophobicContact CG1-CG2 4.19Å; V45-R56 CarbonylContact O-C 3.6Å; V45-R56 WeakPolarHBondContact O-CA 3.44Å; V45-T57 HydrophobicContact CB-CG2 4.09Å; V45-T57 PolarHBondContact N-OG1 3.43Å; V45-T57 PolarHBondContact O-N 3.28Å; V45-W68 HydrophobicContact CG2-CD2 4.3Å; V45-W68 HydrophobicContact CG2-CE3 4.22Å; V45-W68 HydrophobicContact CG2-CH2 3.45Å; V45-W68 VanDerWaalsContact CG2-CH2 3.45Å; V45-W68 HydrophobicContact CG2-CZ2 3.58Å; V45-W68 HydrophobicContact CG2-CZ3 3.8Å; V45-L84 HydrophobicContact CG1-CB 4.26Å; V45-L84 HydrophobicContact CG1-CD2 3.89Å; V45-T85 CarbonylContact C-O 3.59Å; V45-T85 WeakPolarHBondContact CA-O 3.24Å; V45-V86 HydrophobicContact CG2-CG2 4.3Å
46	N	97.8	Very high	90.8	Very high	27 Å²	27	66.8 Å²	66.8	14%	0.144	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.7	160	-82.1	-11.7	0	0	0	108.6	Y44 L53 C55 R56 L84 T85 F87	Y44-N46 WeakPolarHBondContact CE2-OD1 3.4Å; N46-L53 HydrophobicContact CB-CD1 3.52Å; N46-C55 WeakPolarHBondContact CA-O 3.41Å; N46-R56 WeakPolarHBondContact OD1-CB 3.45Å; N46-L84 WeakPolarHBondContact O-CA 3.15Å; N46-T85 PolarHBondContact N-O 2.81Å; N46-T85 PolarHBondContact O-N 3.28Å; N46-F87 HydrophobicContact CB-CD2 4.41Å; N46-F87 HydrophobicContact CB-CE2 4.16Å; N46-F87 WeakPolarHBondContact ND2-CE2 3.43Å
47	V	97	Very high	92.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.4	174.7	-168.3	0	0	0	0	107.8	V12 V45 I54 C55 L82 G83 L84	V12-V47 HydrophobicContact CG2-CG2 3.89Å; V45-V47 HydrophobicContact CG1-CG2 4.19Å; V47-I54 HydrophobicContact CB-CD1 4.27Å; V47-I54 HydrophobicContact CB-CG1 3.95Å; V47-I54 HydrophobicContact CG1-CD1 3.77Å; V47-I54 HydrophobicContact CG1-CG1 3.94Å; V47-I54 WeakPolarHBondContact O-CG1 3.36Å; V47-I54 PolarHBondContact O-N 2.76Å; V47-C55 WeakPolarHBondContact CG2-SG 3.37Å; V47-C55 PolarHBondContact N-O 2.85Å; V47-C55 PolarHBondContact O-N 2.92Å; V47-L82 HydrophobicContact CG1-CD1 3.8Å; V47-L82 HydrophobicContact CG1-CG 4.47Å; V47-G83 WeakPolarHBondContact CA-O 3.25Å; V47-L84 HydrophobicContact CG1-CD2 4.23Å; V47-L84 HydrophobicContact CG2-CD2 4Å
48	D	97.6	Very high	94.4	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.8	-179.9	66.6	89.1	0	0	0	112.2	E51 Y52 L82 G83 R102	D48-E51 WeakPolarHBondContact OD1-CA 3.29Å; D48-E51 PolarHBondContact OD1-N 3.39Å; D48-E51 VanDerWaalsContact OD1-N 3.08Å; D48-Y52 CarbonylContact C-O 3.55Å; D48-Y52 VanDerWaalsContact CA-O 3.22Å; D48-Y52 WeakPolarHBondContact CA-O 3.24Å; D48-Y52 WeakPolarHBondContact CB-O 3.35Å; D48-L82 CarbonylContact O-C 3.46Å; D48-L82 WeakPolarHBondContact O-CA 3.42Å; D48-L82 WeakPolarHBondContact O-CD1 3.46Å; D48-G83 PolarHBondContact N-O 3.04Å; D48-G83 PolarHBondContact O-N 3.23Å; D48-G83 VanDerWaalsContact OD2-CA 3.26Å; D48-G83 WeakPolarHBondContact OD2-CA 3.41Å; D48-R102 IonicContact OD1-NH1 3.76Å
49	I	97.1	Very high	95.8	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.5	168	-66.4	176.2	0	0	0	107	V8 E51 Y52 I54 A74 A76 S79 S81 L82 F105	V8-I49 HydrophobicContact CB-CD1 4.45Å; V8-I49 HydrophobicContact CG2-CD1 4.28Å; I49-E51 PolarHBondContact O-N 2.78Å; I49-Y52 PolarHBondContact N-O 2.82Å; I49-Y52 WeakPolarHBondContact O-CB 3.35Å; I49-Y52 PolarHBondContact O-N 2.86Å; I49-I54 HydrophobicContact CB-CG2 4.5Å; I49-I54 HydrophobicContact CD1-CD1 4.27Å; I49-I54 HydrophobicContact CD1-CG2 4.25Å; I49-I54 HydrophobicContact CG1-CD1 4.25Å; I49-I54 HydrophobicContact CG1-CG2 4.22Å; I49-A74 HydrophobicContact CD1-CB 4.06Å; I49-A76 HydrophobicContact CD1-CB 4.42Å; I49-S79 VanDerWaalsContact CG2-CB 3.45Å; I49-S79 VanDerWaalsContact CG2-OG 3.32Å; I49-S79 WeakPolarHBondContact CG2-OG 3.33Å; I49-S81 WeakPolarHBondContact CA-O 3.2Å; I49-L82 HydrophobicContact CG1-CD1 4.06Å; I49-F105 HydrophobicContact CG1-CZ 4.46Å; I49-F105 HydrophobicContact CG2-CE2 4.16Å
50	D	96	Very high	96.4	Very high	35 Å²	35	51.3 Å²	51.3	19%	0.187	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	44	47.5	-173.5	-58.9	-34.4	0	0	0	113.1	Y52 S79 T80 S81	D50-Y52 WeakPolarHBondContact O-CD2 3.49Å; D50-Y52 PolarHBondContact O-N 3.34Å; D50-S79 WeakPolarHBondContact OD2-CA 3.4Å; D50-S79 WeakPolarHBondContact OD2-CB 3.45Å; D50-T80 WeakPolarHBondContact OD1-CA 3.49Å; D50-T80 PolarHBondContact OD1-N 2.83Å; D50-T80 PolarHBondContact OD1-OG1 2.88Å; D50-T80 PolarHBondContact OD2-N 2.83Å; D50-S81 PolarHBondContact N-O 2.54Å; D50-S81 VanDerWaalsContact N-O 3.08Å; D50-S81 PolarHBondContact OD1-N 2.85Å; D50-S81 PolarHBondContact OD1-OG 3.24Å
51	E	95.4	Very high	96.7	Very high	163 Å²	163	50.6 Å²	50.6	76%	0.762	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-2.4	179.1	-50.6	170.7	-173.3	0	0	115.5	D48 I49 L53	D48-E51 WeakPolarHBondContact OD1-CA 3.29Å; D48-E51 PolarHBondContact OD1-N 3.39Å; D48-E51 VanDerWaalsContact OD1-N 3.08Å; I49-E51 PolarHBondContact O-N 2.78Å; E51-L53 PolarHBondContact O-N 3.24Å
52	Y	96.6	Very high	96.7	Very high	187 Å²	187	57.6 Å²	57.6	73%	0.733	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	110.9	170	-64.2	-86.8	0	0	0	110.5	D48 I49 D50 I54	D48-Y52 CarbonylContact C-O 3.55Å; D48-Y52 VanDerWaalsContact CA-O 3.22Å; D48-Y52 WeakPolarHBondContact CA-O 3.24Å; D48-Y52 WeakPolarHBondContact CB-O 3.35Å; I49-Y52 PolarHBondContact N-O 2.82Å; I49-Y52 WeakPolarHBondContact O-CB 3.35Å; I49-Y52 PolarHBondContact O-N 2.86Å; D50-Y52 WeakPolarHBondContact O-CD2 3.49Å; D50-Y52 PolarHBondContact O-N 3.34Å; Y52-I54 PolarHBondContact O-N 2.83Å
53	L	97.1	Very high	96.7	Very high	107 Å²	107	56.9 Å²	56.9	56%	0.56	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	122.8	177.7	-176.4	71.9	0	0	0	111.1	N46 E51 C55	N46-L53 HydrophobicContact CB-CD1 3.52Å; E51-L53 PolarHBondContact O-N 3.24Å; L53-C55 WeakPolarHBondContact CD1-O 3.33Å
54	I	96.2	Very high	96.5	Very high	54 Å²	54	57.4 Å²	57.4	28%	0.277	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-33.2	176.8	59.1	164	0	0	0	112.5	V47 I49 Y52 I72 A74	V47-I54 HydrophobicContact CB-CD1 4.27Å; V47-I54 HydrophobicContact CB-CG1 3.95Å; V47-I54 HydrophobicContact CG1-CD1 3.77Å; V47-I54 HydrophobicContact CG1-CG1 3.94Å; V47-I54 WeakPolarHBondContact O-CG1 3.36Å; V47-I54 PolarHBondContact O-N 2.76Å; I49-I54 HydrophobicContact CB-CG2 4.5Å; I49-I54 HydrophobicContact CD1-CD1 4.27Å; I49-I54 HydrophobicContact CD1-CG2 4.25Å; I49-I54 HydrophobicContact CG1-CD1 4.25Å; I49-I54 HydrophobicContact CG1-CG2 4.22Å; Y52-I54 PolarHBondContact O-N 2.83Å; I54-I72 HydrophobicContact CD1-CG1 4.07Å; I54-I72 HydrophobicContact CD1-CG2 4.28Å; I54-A74 HydrophobicContact CB-CB 4.41Å; I54-A74 HydrophobicContact CD1-CB 3.92Å; I54-A74 HydrophobicContact CG2-CB 4.2Å
55	C	96.3	Very high	96.4	Very high	28 Å²	28	61.3 Å²	61.3	19%	0.189	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	161.3	175.2	76.5	0	0	0	0	113	N46 V47 L53 I72	N46-C55 WeakPolarHBondContact CA-O 3.41Å; V47-C55 WeakPolarHBondContact CG2-SG 3.37Å; V47-C55 PolarHBondContact N-O 2.85Å; V47-C55 PolarHBondContact O-N 2.92Å; L53-C55 WeakPolarHBondContact CD1-O 3.33Å; C55-I72 HydrophobicContact CB-CB 4.33Å; C55-I72 HydrophobicContact CB-CD1 3.81Å; C55-I72 HydrophobicContact CB-CG1 3.83Å
56	R	97.7	Very high	96.4	Very high	112 Å²	112	61.2 Å²	61.2	42%	0.423	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133	165.8	171.5	173.3	168.9	175.8	-1.3	108.2	Y44 V45 N46 D89 D95	Y44-R56 VanDerWaalsContact CD1-NH2 3.33Å; Y44-R56 HydrophobicContact CD2-CG 3.59Å; Y44-R56 HydrophobicContact CE2-CG 3.91Å; Y44-R56 HydrophobicContact CG-CG 4.25Å; V45-R56 CarbonylContact O-C 3.6Å; V45-R56 WeakPolarHBondContact O-CA 3.44Å; N46-R56 WeakPolarHBondContact OD1-CB 3.45Å; R56-D89 IonicContact CZ-OD1 3.66Å; R56-D89 IonicContact NH2-OD1 3.44Å; R56-D89 PolarHBondContact NH2-OD1 2.56Å; R56-D89 IonicContact NH2-OD2 3.86Å; R56-D89 PolarHBondContact NH2-OD2 2.82Å; R56-D95 IonicContact NH1-OD2 3.9Å
57	T	98.2	Very high	96.4	Very high	7 Å²	7	67 Å²	67	4%	0.043	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-76.3	167.2	172.9	66.4	0	0	0	0	112	V12 V45 W68 E70	V12-T57 HydrophobicContact CB-CG2 4.14Å; V12-T57 HydrophobicContact CG1-CG2 4.28Å; V12-T57 HydrophobicContact CG2-CG2 4.21Å; V45-T57 HydrophobicContact CB-CG2 4.09Å; V45-T57 PolarHBondContact N-OG1 3.43Å; V45-T57 PolarHBondContact O-N 3.28Å; T57-W68 HydrophobicContact CG2-CG 4.48Å; T57-W68 VanDerWaalsContact OG1-CD1 3.26Å; T57-W68 PolarHBondContact OG1-NE1 2.55Å; T57-E70 VanDerWaalsContact CA-OE2 3.24Å; T57-E70 WeakPolarHBondContact CA-OE2 3.47Å; T57-E70 HydrophobicContact CG2-CB 4.25Å
58	S	98	Very high	96.4	Very high	49 Å²	49	67.7 Å²	67.7	34%	0.343	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-60.5	141.4	166.8	65.1	0	0	0	0	111.4	K60 W68 E70	S58-K60 WeakPolarHBondContact OG-CE 3.49Å; S58-K60 PolarHBondContact OG-NZ 2.83Å; S58-W68 PolarHBondContact O-NE1 2.54Å; S58-E70 VanDerWaalsContact CB-OE1 3.28Å; S58-E70 WeakPolarHBondContact CB-OE1 3.08Å; S58-E70 PolarHBondContact N-OE1 2.91Å; S58-E70 PolarHBondContact N-OE2 2.89Å; S58-E70 VanDerWaalsContact N-OE2 3.09Å; S58-E70 PolarHBondContact OG-OE1 3.35Å
59	A	97.8	Very high	96.4	Very high	34 Å²	34	69.2 Å²	69.2	28%	0.281	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-71.6	138.3	169.4	0	0	0	0	0	110.2	P43 D89	P43-A59 WeakPolarHBondContact O-CA 3.42Å; A59-D89 HydrophobicContact CB-CB 3.96Å; A59-D89 WeakPolarHBondContact CB-OD2 3.2Å
60	K	97.8	Very high	96.4	Very high	60 Å²	60	71.5 Å²	71.5	26%	0.261	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-103.6	121.4	173.6	-59.4	-53.6	177.6	-172.4	0	109.4	D42 P43 S58 P66 R67	D42-K60 CarbonylContact C-O 3.57Å; D42-K60 VanDerWaalsContact CA-O 3.24Å; D42-K60 WeakPolarHBondContact CA-O 3.19Å; P43-K60 WeakPolarHBondContact CD-O 3.37Å; P43-K60 PolarHBondContact O-N 2.83Å; S58-K60 WeakPolarHBondContact OG-CE 3.49Å; S58-K60 PolarHBondContact OG-NZ 2.83Å; K60-P66 HydrophobicContact CB-CB 3.89Å; K60-P66 HydrophobicContact CG-CB 3.9Å; K60-R67 WeakPolarHBondContact CE-O 3.24Å
61	T	95.1	Very high	96.4	Very high	111 Å²	111	73.9 Å²	73.9	68%	0.681	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	132.8	-174.1	-53	0	0	0	0	112.4	D42 S63	D42-T61 WeakPolarHBondContact OD1-CA 3.35Å; T61-S63 PolarHBondContact O-N 2.89Å
62	K	92.5	Very high	96.4	Very high	149 Å²	149	68 Å²	68	65%	0.648	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	55.7	171.1	-64.5	177.8	-177.4	179.9	0	113.6	F40 I41 D42	F40-K62 HydrophobicContact CB-CB 3.85Å; F40-K62 HydrophobicContact CB-CG 4.36Å; F40-K62 WeakPolarHBondContact CD1-O 3.33Å; F40-K62 HydrophobicContact CG-CB 4.31Å; I41-K62 CarbonylContact O-C 3.6Å; I41-K62 WeakPolarHBondContact O-CA 3.44Å; I41-K62 PolarHBondContact O-N 2.84Å; D42-K62 PolarHBondContact OD1-N 2.95Å
63	S	94.1	Very high	96.3	Very high	28 Å²	28	62.1 Å²	62.1	20%	0.196	32%	0.321	C	S	.	.			trans	-136.7	131.8	179.6	-172.6	0	0	0	0	112.9	I41 P43 T61 N65	I41-S63 PolarHBondContact O-N 2.93Å; P43-S63 WeakPolarHBondContact CD-O 3.45Å; P43-S63 VanDerWaalsContact CG-O 3.25Å; P43-S63 WeakPolarHBondContact CG-O 3.23Å; T61-S63 PolarHBondContact O-N 2.89Å; S63-N65 PolarHBondContact OG-N 3.31Å; S63-N65 PolarHBondContact OG-O 3.44Å
64	N	93.6	Very high	96.3	Very high	11 Å²	11	58 Å²	58	6%	0.059	30%	0.302	C	S	.	.	S	Bend	trans	-95.9	-2.1	166.6	-62	-16.8	0	0	0	112	D17 L18 P39 I41 P66	D17-N64 PolarHBondContact N-O 2.79Å; L18-N64 HydrophobicContact CB-CB 4.39Å; L18-N64 WeakPolarHBondContact CB-O 3.48Å; L18-N64 PolarHBondContact N-O 2.89Å; L18-N64 WeakPolarHBondContact O-CB 3.49Å; P39-N64 PolarHBondContact O-ND2 3.09Å; I41-N64 WeakPolarHBondContact CG1-OD1 3.35Å; I41-N64 PolarHBondContact N-OD1 3.5Å; N64-P66 VanDerWaalsContact C-CD 3.46Å
65	N	95.2	Very high	96.2	Very high	94 Å²	94	61.8 Å²	61.8	50%	0.503	32%	0.323	S	S	.	.	S	Bend	trans	-131.7	61.4	176.5	-61.4	-76.5	0	0	0	109.7	A15 S16 D17 S63	A15-N65 CarbonylContact O-C 3.59Å; A15-N65 WeakPolarHBondContact O-CA 3.42Å; S16-N65 VanDerWaalsContact CA-OD1 3.31Å; S16-N65 WeakPolarHBondContact CA-OD1 3.49Å; D17-N65 PolarHBondContact N-OD1 2.76Å; S63-N65 PolarHBondContact OG-N 3.31Å; S63-N65 PolarHBondContact OG-O 3.44Å
66	P	96.9	Very high	96.2	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.013	32%	0.315	C	S	.	.			trans	-71.9	147.7	-175	32.2	-39.5	0	0	0	112.2	E14 A15 L18 P43 K60 N64 W68	E14-P66 CarbonylContact C-O 3.53Å; E14-P66 WeakPolarHBondContact CA-O 3.5Å; E14-P66 VanDerWaalsContact CB-O 3.24Å; E14-P66 WeakPolarHBondContact CB-O 3.39Å; A15-P66 HydrophobicContact CB-CG 4.04Å; A15-P66 PolarHBondContact N-O 3.38Å; A15-P66 WeakPolarHBondContact O-CD 3.4Å; L18-P66 HydrophobicContact CD1-CG 3.76Å; P43-P66 HydrophobicContact CB-CG 4.19Å; P43-P66 HydrophobicContact CG-CB 3.64Å; P43-P66 HydrophobicContact CG-CG 3.53Å; K60-P66 HydrophobicContact CB-CB 3.89Å; K60-P66 HydrophobicContact CG-CB 3.9Å; N64-P66 VanDerWaalsContact C-CD 3.46Å; P66-W68 HydrophobicContact CB-CD2 4.4Å; P66-W68 HydrophobicContact CB-CH2 3.98Å; P66-W68 HydrophobicContact CB-CZ2 3.73Å; P66-W68 HydrophobicContact CB-CZ3 4.37Å; P66-W68 HydrophobicContact CG-CE3 4.4Å; P66-W68 HydrophobicContact CG-CH2 3.21Å; P66-W68 HydrophobicContact CG-CZ2 3.4Å; P66-W68 HydrophobicContact CG-CZ3 3.76Å
67	R	97.7	Very high	96.2	Very high	149 Å²	149	60.7 Å²	60.7	56%	0.562	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	112.8	171.4	-172.9	169	-169.4	-86	-10.8	109.4	V13 E14 K60 D69	V13-R67 CarbonylContact O-C 3.5Å; V13-R67 WeakPolarHBondContact O-CA 3.39Å; E14-R67 HydrophobicContact CB-CB 4.24Å; E14-R67 HydrophobicContact CB-CG 4.27Å; E14-R67 IonicContact OE2-NE 4Å; K60-R67 WeakPolarHBondContact CE-O 3.24Å; R67-D69 WeakPolarHBondContact CG-OD2 3.48Å; R67-D69 IonicContact CZ-OD1 3.85Å; R67-D69 IonicContact CZ-OD2 2.78Å; R67-D69 IonicContact NE-OD2 3.39Å; R67-D69 PolarHBondContact NE-OD2 2.89Å; R67-D69 IonicContact NH1-OD2 2.63Å; R67-D69 PolarHBondContact NH1-OD2 3.18Å; R67-D69 IonicContact NH2-OD1 3.34Å; R67-D69 PolarHBondContact NH2-OD1 3.31Å; R67-D69 IonicContact NH2-OD2 3.06Å; R67-D69 PolarHBondContact NH2-OD2 3.39Å
68	W	97.6	Very high	96.1	Very high	14 Å²	14	66.9 Å²	66.9	5%	0.053	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-49	-177	-62.9	-84.3	0	0	0	112.7	V12 V13 A15 P43 V45 T57 S58 P66 E70	V12-W68 HydrophobicContact CG1-CB 4.48Å; V12-W68 HydrophobicContact CG1-CD2 4.16Å; V12-W68 HydrophobicContact CG1-CE3 3.66Å; V12-W68 HydrophobicContact CG1-CZ3 4.17Å; V13-W68 PolarHBondContact O-N 3.29Å; A15-W68 HydrophobicContact CB-CH2 3.78Å; A15-W68 HydrophobicContact CB-CZ3 3.7Å; P43-W68 HydrophobicContact CB-CZ2 4.08Å; P43-W68 HydrophobicContact CG-CZ2 4.37Å; P43-W68 PolarHBondContact O-NE1 3.3Å; V45-W68 HydrophobicContact CG2-CD2 4.3Å; V45-W68 HydrophobicContact CG2-CE3 4.22Å; V45-W68 HydrophobicContact CG2-CH2 3.45Å; V45-W68 VanDerWaalsContact CG2-CH2 3.45Å; V45-W68 HydrophobicContact CG2-CZ2 3.58Å; V45-W68 HydrophobicContact CG2-CZ3 3.8Å; T57-W68 HydrophobicContact CG2-CG 4.48Å; T57-W68 VanDerWaalsContact OG1-CD1 3.26Å; T57-W68 PolarHBondContact OG1-NE1 2.55Å; S58-W68 PolarHBondContact O-NE1 2.54Å; P66-W68 HydrophobicContact CB-CD2 4.4Å; P66-W68 HydrophobicContact CB-CH2 3.98Å; P66-W68 HydrophobicContact CB-CZ2 3.73Å; P66-W68 HydrophobicContact CB-CZ3 4.37Å; P66-W68 HydrophobicContact CG-CE3 4.4Å; P66-W68 HydrophobicContact CG-CH2 3.21Å; P66-W68 HydrophobicContact CG-CZ2 3.4Å; P66-W68 HydrophobicContact CG-CZ3 3.76Å; W68-E70 HydrophobicContact CB-CB 4.5Å; W68-E70 HydrophobicContact CB-CG 4.31Å; W68-E70 PolarHBondContact O-N 3.02Å
69	D	97.1	Very high	96	Very high	49 Å²	49	65 Å²	65	26%	0.262	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.6	34	-170.6	-73.9	-70.7	0	0	0	114.8	K11 V12 V13 R67	K11-D69 VanDerWaalsContact CE-OD1 3.24Å; K11-D69 WeakPolarHBondContact CE-OD1 3.32Å; K11-D69 IonicContact NZ-OD1 2.79Å; K11-D69 PolarHBondContact NZ-OD1 3.2Å; V12-D69 WeakPolarHBondContact O-CA 3.28Å; V12-D69 PolarHBondContact O-N 3.11Å; V13-D69 PolarHBondContact O-N 2.8Å; R67-D69 WeakPolarHBondContact CG-OD2 3.48Å; R67-D69 IonicContact CZ-OD1 3.85Å; R67-D69 IonicContact CZ-OD2 2.78Å; R67-D69 IonicContact NE-OD2 3.39Å; R67-D69 PolarHBondContact NE-OD2 2.89Å; R67-D69 IonicContact NH1-OD2 2.63Å; R67-D69 PolarHBondContact NH1-OD2 3.18Å; R67-D69 IonicContact NH2-OD1 3.34Å; R67-D69 PolarHBondContact NH2-OD1 3.31Å; R67-D69 IonicContact NH2-OD2 3.06Å; R67-D69 PolarHBondContact NH2-OD2 3.39Å
70	E	98	Very high	96	Very high	58 Å²	58	65.8 Å²	65.8	27%	0.271	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.2	-176.6	-70.4	176.1	-125.8	0	0	110.7	K11 V12 T57 S58 W68	K11-E70 CarbonylContact C-O 3.5Å; K11-E70 WeakPolarHBondContact CA-O 3.32Å; V12-E70 PolarHBondContact N-O 2.95Å; V12-E70 PolarHBondContact O-N 3.09Å; V12-E70 VanDerWaalsContact O-N 3.09Å; T57-E70 VanDerWaalsContact CA-OE2 3.24Å; T57-E70 WeakPolarHBondContact CA-OE2 3.47Å; T57-E70 HydrophobicContact CG2-CB 4.25Å; S58-E70 VanDerWaalsContact CB-OE1 3.28Å; S58-E70 WeakPolarHBondContact CB-OE1 3.08Å; S58-E70 PolarHBondContact N-OE1 2.91Å; S58-E70 PolarHBondContact N-OE2 2.89Å; S58-E70 VanDerWaalsContact N-OE2 3.09Å; S58-E70 PolarHBondContact OG-OE1 3.35Å; W68-E70 HydrophobicContact CB-CB 4.5Å; W68-E70 HydrophobicContact CB-CG 4.31Å; W68-E70 PolarHBondContact O-N 3.02Å
71	T	96.3	Very high	95.9	Very high	85 Å²	85	63 Å²	63	52%	0.521	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.7	-179.7	-57.2	0	0	0	0	110.5	R9 V10 K11	R9-T71 HydrophobicContact CG-CG2 3.81Å; V10-T71 CarbonylContact O-C 3.44Å; V10-T71 WeakPolarHBondContact O-CA 3.19Å; K11-T71 WeakPolarHBondContact CG-OG1 3.41Å
72	I	93.9	Very high	95.9	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.205	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.5	173.2	-176.8	61.8	0	0	0	109.9	R9 V10 I54 C55	R9-I72 CarbonylContact C-O 3.55Å; R9-I72 WeakPolarHBondContact CA-O 3.34Å; V10-I72 HydrophobicContact CB-CG2 3.7Å; V10-I72 HydrophobicContact CG2-CG2 4.34Å; V10-I72 PolarHBondContact N-O 3.4Å; V10-I72 PolarHBondContact O-N 3Å; I54-I72 HydrophobicContact CD1-CG1 4.07Å; I54-I72 HydrophobicContact CD1-CG2 4.28Å; C55-I72 HydrophobicContact CB-CB 4.33Å; C55-I72 HydrophobicContact CB-CD1 3.81Å; C55-I72 HydrophobicContact CB-CG1 3.83Å
73	T	95.8	Very high	96.1	Very high	64 Å²	64	51.2 Å²	51.2	39%	0.393	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.7	174.3	-68	0	0	0	0	108.9	K7 V8	K7-T73 HydrophobicContact CD-CG2 4.1Å; K7-T73 HydrophobicContact CG-CG2 3.94Å; V8-T73 CarbonylContact O-C 3.57Å; V8-T73 WeakPolarHBondContact O-CA 2.95Å
74	A	95.8	Very high	96.2	Very high	19 Å²	19	51.3 Å²	51.3	16%	0.157	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.8	-179.3	0	0	0	0	0	110.8	V8 I49 I54	V8-A74 PolarHBondContact N-O 3.08Å; V8-A74 PolarHBondContact O-N 2.92Å; I49-A74 HydrophobicContact CD1-CB 4.06Å; I54-A74 HydrophobicContact CB-CB 4.41Å; I54-A74 HydrophobicContact CD1-CB 3.92Å; I54-A74 HydrophobicContact CG2-CB 4.2Å
75	N	95.8	Very high	96.4	Very high	134 Å²	134	51.6 Å²	51.6	72%	0.717	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.5	170.4	-67	-37.3	0	0	0	108.9	G6	G6-N75 WeakPolarHBondContact O-CA 3.28Å
76	A	96	Very high	96.4	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.033	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.4	166.6	0	0	0	0	0	109.1	F4 T5 G6 V8 I49 F105	F4-A76 HydrophobicContact CD1-CB 3.6Å; F4-A76 HydrophobicContact CE1-CB 3.98Å; T5-A76 WeakPolarHBondContact CA-O 3.1Å; G6-A76 PolarHBondContact N-O 3.03Å; G6-A76 PolarHBondContact O-N 2.91Å; V8-A76 HydrophobicContact CG2-CB 3.69Å; I49-A76 HydrophobicContact CD1-CB 4.42Å; A76-F105 HydrophobicContact CB-CE2 4.47Å; A76-F105 HydrophobicContact CB-CZ 4.5Å
77	N	96	Very high	96.4	Very high	114 Å²	114	49.5 Å²	49.5	61%	0.61	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	108.4	177.2	-178.5	38.8	0	0	0	109.5	S79	N77-S79 PolarHBondContact N-OG 3.2Å; N77-S79 VanDerWaalsContact N-OG 3.15Å; N77-S79 PolarHBondContact O-N 3.28Å; N77-S79 PolarHBondContact O-OG 3.38Å
78	Q	96.4	Very high	96.2	Very high	137 Å²	137	43.6 Å²	43.6	64%	0.64	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	50.4	35.8	-172.8	-55.2	-173.3	-88.9	0	0	112.4	F4 T5	F4-Q78 PolarHBondContact O-N 2.95Å; T5-Q78 PolarHBondContact OG1-N 3.09Å
79	S	97.2	Very high	96.1	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	149.6	-172.1	-54.9	0	0	0	0	112.4	S3 F4 I49 D50 N77	S3-S79 CarbonylContact C-O 3.59Å; F4-S79 PolarHBondContact N-O 3.03Å; F4-S79 PolarHBondContact O-N 3.37Å; I49-S79 VanDerWaalsContact CG2-CB 3.45Å; I49-S79 VanDerWaalsContact CG2-OG 3.32Å; I49-S79 WeakPolarHBondContact CG2-OG 3.33Å; D50-S79 WeakPolarHBondContact OD2-CA 3.4Å; D50-S79 WeakPolarHBondContact OD2-CB 3.45Å; N77-S79 PolarHBondContact N-OG 3.2Å; N77-S79 VanDerWaalsContact N-OG 3.15Å; N77-S79 PolarHBondContact O-N 3.28Å; N77-S79 PolarHBondContact O-OG 3.38Å
80	T	97.2	Very high	95.8	Very high	50 Å²	50	44.3 Å²	44.3	31%	0.307	24%	0.241	S	C	.	.			trans	-103.6	-26.1	-175.3	62.3	0	0	0	0	113.3	D50 N104 F105	D50-T80 WeakPolarHBondContact OD1-CA 3.49Å; D50-T80 PolarHBondContact OD1-N 2.83Å; D50-T80 PolarHBondContact OD1-OG1 2.88Å; D50-T80 PolarHBondContact OD2-N 2.83Å; T80-N104 WeakPolarHBondContact O-CA 3.14Å; T80-F105 VanDerWaalsContact C-CD2 3.44Å; T80-F105 PolarHBondContact O-N 3.45Å
81	S	96	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	156.8	-167.1	55.8	0	0	0	0	114.8	I49 D50 R102 V103 F105	I49-S81 WeakPolarHBondContact CA-O 3.2Å; D50-S81 PolarHBondContact N-O 2.54Å; D50-S81 VanDerWaalsContact N-O 3.08Å; D50-S81 PolarHBondContact OD1-N 2.85Å; D50-S81 PolarHBondContact OD1-OG 3.24Å; S81-R102 VanDerWaalsContact CB-NE 3.27Å; S81-R102 PolarHBondContact OG-NE 3.29Å; S81-R102 PolarHBondContact OG-NH2 3.12Å; S81-V103 CarbonylContact C-O 3.53Å; S81-V103 VanDerWaalsContact CA-O 3.29Å; S81-V103 WeakPolarHBondContact CA-O 3.05Å; S81-F105 VanDerWaalsContact C-CE2 3.49Å; S81-F105 VanDerWaalsContact N-CD2 3.28Å; S81-F105 WeakPolarHBondContact O-CE2 3.45Å
82	L	95.7	Very high	94.9	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.5	172	-177.2	76.9	0	0	0	108.9	V10 V47 D48 I49 R102 V103 F105	V10-L82 HydrophobicContact CG1-CD2 4.12Å; V10-L82 HydrophobicContact CG2-CD1 3.83Å; V10-L82 HydrophobicContact CG2-CD2 3.64Å; V10-L82 HydrophobicContact CG2-CG 4.41Å; V47-L82 HydrophobicContact CG1-CD1 3.8Å; V47-L82 HydrophobicContact CG1-CG 4.47Å; D48-L82 CarbonylContact O-C 3.46Å; D48-L82 WeakPolarHBondContact O-CA 3.42Å; D48-L82 WeakPolarHBondContact O-CD1 3.46Å; I49-L82 HydrophobicContact CG1-CD1 4.06Å; L82-R102 WeakPolarHBondContact O-CA 3.31Å; L82-V103 PolarHBondContact N-O 2.98Å; L82-V103 PolarHBondContact O-N 2.87Å; L82-F105 HydrophobicContact CB-CE1 4.36Å; L82-F105 HydrophobicContact CB-CZ 4.15Å
83	G	96.2	Very high	94.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	145.3	173.4	0	0	0	0	0	112.4	V47 D48	V47-G83 WeakPolarHBondContact CA-O 3.25Å; D48-G83 PolarHBondContact N-O 3.04Å; D48-G83 PolarHBondContact O-N 3.23Å; D48-G83 VanDerWaalsContact OD2-CA 3.26Å; D48-G83 WeakPolarHBondContact OD2-CA 3.41Å
84	L	96.2	Very high	94.6	Very high	29 Å²	29	54.3 Å²	54.3	15%	0.152	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	103.9	178.8	-70.1	155.2	0	0	0	107.3	V12 V45 N46 V47 N100 C101	V12-L84 HydrophobicContact CG2-CD2 4.1Å; V45-L84 HydrophobicContact CG1-CB 4.26Å; V45-L84 HydrophobicContact CG1-CD2 3.89Å; N46-L84 WeakPolarHBondContact O-CA 3.15Å; V47-L84 HydrophobicContact CG1-CD2 4.23Å; V47-L84 HydrophobicContact CG2-CD2 4Å; L84-N100 CarbonylContact O-C 3.35Å; L84-N100 WeakPolarHBondContact O-CA 3.49Å; L84-N100 PolarHBondContact O-ND2 3.33Å; L84-C101 VanDerWaalsContact CB-SG 3.53Å; L84-C101 PolarHBondContact N-O 3.04Å; L84-C101 PolarHBondContact O-N 2.97Å
85	T	96.4	Very high	94.5	Very high	18 Å²	18	55.2 Å²	55.2	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.5	-177.5	-51.2	0	0	0	0	110.5	V45 N46 F87 F97 A99 N100	V45-T85 CarbonylContact C-O 3.59Å; V45-T85 WeakPolarHBondContact CA-O 3.24Å; N46-T85 PolarHBondContact N-O 2.81Å; N46-T85 PolarHBondContact O-N 3.28Å; T85-F87 HydrophobicContact CG2-CD2 3.91Å; T85-F87 HydrophobicContact CG2-CE2 3.24Å; T85-F87 HydrophobicContact CG2-CZ 3.61Å; T85-F97 HydrophobicContact CG2-CD2 3.71Å; T85-F97 HydrophobicContact CG2-CE2 3.67Å; T85-A99 CarbonylContact C-O 3.58Å; T85-N100 HydrophobicContact CG2-CB 4.38Å; T85-N100 PolarHBondContact OG1-ND2 3.24Å
86	V	96.4	Very high	94.3	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.2	176.3	-171.9	0	0	0	0	109.3	L18 P43 Y44 V45 V98 A99	L18-V86 HydrophobicContact CD1-CG1 3.99Å; L18-V86 HydrophobicContact CD2-CG1 4.17Å; L18-V86 HydrophobicContact CD2-CG2 4.42Å; P43-V86 HydrophobicContact CB-CG1 4.07Å; Y44-V86 WeakPolarHBondContact O-CA 3.21Å; V45-V86 HydrophobicContact CG2-CG2 4.3Å; V86-V98 HydrophobicContact CB-CB 4.24Å; V86-V98 HydrophobicContact CG1-CB 4.05Å; V86-V98 HydrophobicContact CG1-CG1 4.31Å; V86-V98 WeakPolarHBondContact O-CB 3.29Å; V86-V98 PolarHBondContact O-N 2.77Å; V86-A99 HydrophobicContact CB-CB 4.31Å; V86-A99 HydrophobicContact CG2-CB 4.38Å; V86-A99 PolarHBondContact N-O 2.63Å; V86-A99 PolarHBondContact O-N 3.06Å
87	F	95.7	Very high	94.2	Very high	42 Å²	42	52.4 Å²	52.4	18%	0.184	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.5	173.4	-70.8	-90.1	0	0	0	110.6	P43 Y44 N46 T85 D95 D96 F97	P43-F87 VanDerWaalsContact CA-O 3.23Å; P43-F87 WeakPolarHBondContact CA-O 3.21Å; Y44-F87 HydrophobicContact CD1-CB 4.24Å; Y44-F87 HydrophobicContact CD2-CB 4.34Å; Y44-F87 HydrophobicContact CE1-CB 3.66Å; Y44-F87 HydrophobicContact CE2-CB 3.76Å; Y44-F87 AromaticContact CE2-CD2 3.86Å; Y44-F87 HydrophobicContact CE2-CD2 3.86Å; Y44-F87 HydrophobicContact CE2-CG 4.12Å; Y44-F87 VanDerWaalsContact CZ-CB 3.41Å; Y44-F87 AromaticContact CZ-CG 3.96Å; Y44-F87 PolarHBondContact N-O 3.23Å; Y44-F87 PolarHBondContact O-N 3.07Å; N46-F87 HydrophobicContact CB-CD2 4.41Å; N46-F87 HydrophobicContact CB-CE2 4.16Å; N46-F87 WeakPolarHBondContact ND2-CE2 3.43Å; T85-F87 HydrophobicContact CG2-CD2 3.91Å; T85-F87 HydrophobicContact CG2-CE2 3.24Å; T85-F87 HydrophobicContact CG2-CZ 3.61Å; F87-D95 HydrophobicContact CB-CB 4.36Å; F87-D95 HydrophobicContact CD1-CB 4.32Å; F87-D96 CarbonylContact C-O 3.59Å; F87-D96 WeakPolarHBondContact CA-O 3.44Å; F87-F97 HydrophobicContact CD1-CB 4.43Å; F87-F97 HydrophobicContact CE1-CB 4.19Å
88	H	93.9	Very high	94	Very high	26 Å²	26	47.4 Å²	47.4	12%	0.12	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119	162.9	172.3	23.8	0	0	0	109.6	S24 I41 D42 C90 D95 D96 V98	S24-H88 PolarHBondContact OG-CD2 2.88Å; I41-H88 HydrophobicContact CB-CB 4.02Å; I41-H88 HydrophobicContact CG2-CB 3.97Å; D42-H88 PolarHBondContact N-CE1 3.38Å; D42-H88 PolarHBondContact N-ND1 3.11Å; D42-H88 IonicContact OD2-CE1 2.83Å; H88-C90 PolarHBondContact O-N 3.19Å; H88-C90 VanDerWaalsContact O-N 3.09Å; H88-C90 PolarHBondContact O-SG 3.42Å; H88-C90 VanDerWaalsContact O-SG 3.39Å; H88-D95 WeakPolarHBondContact O-CB 3.47Å; H88-D96 HydrophobicContact CB-CB 4.27Å; H88-D96 PolarHBondContact N-O 2.97Å; H88-D96 PolarHBondContact O-N 2.99Å; H88-V98 HydrophobicContact CB-CG2 4.07Å
89	D	95.5	Very high	93.9	Very high	56 Å²	56	40.9 Å²	40.9	30%	0.299	24%	0.244	S	C	.	.			trans	-62.7	105.9	173.9	-157.4	24.4	0	0	0	110.1	D42 Y44 R56 A59	D42-D89 HydrophobicContact CB-CB 4.05Å; D42-D89 WeakPolarHBondContact O-CB 3.24Å; D42-D89 PolarHBondContact O-N 3.12Å; Y44-D89 HydrophobicContact CD1-CB 3.96Å; Y44-D89 HydrophobicContact CE1-CB 4.09Å; R56-D89 IonicContact CZ-OD1 3.66Å; R56-D89 IonicContact NH2-OD1 3.44Å; R56-D89 PolarHBondContact NH2-OD1 2.56Å; R56-D89 IonicContact NH2-OD2 3.86Å; R56-D89 PolarHBondContact NH2-OD2 2.82Å; A59-D89 HydrophobicContact CB-CB 3.96Å; A59-D89 WeakPolarHBondContact CB-OD2 3.2Å
90	C	91	Very high	93.7	Very high	22 Å²	22	42 Å²	42	15%	0.149	25%	0.249	C	C	.	.			trans	-91.1	137	-175	-74.6	0	0	0	0	109.7	H88 I92 D95	H88-C90 PolarHBondContact O-N 3.19Å; H88-C90 VanDerWaalsContact O-N 3.09Å; H88-C90 PolarHBondContact O-SG 3.42Å; H88-C90 VanDerWaalsContact O-SG 3.39Å; C90-I92 WeakPolarHBondContact CB-O 3.14Å; C90-I92 PolarHBondContact O-N 3.17Å; C90-I92 VanDerWaalsContact O-N 3.08Å; C90-D95 PolarHBondContact N-OD1 3.39Å
91	A	88.6	Confident	93.5	Very high	110 Å²	110	40.2 Å²	40.2	91%	0.909	24%	0.238	S	C	*	.	S	Bend	trans	-57.4	-28.1	175.5	0	0	0	0	0	113
92	I	87.6	Confident	93.3	Very high	140 Å²	140	44.9 Å²	44.9	72%	0.718	26%	0.256	S	S	*	.	S	Bend	trans	-129.4	116.9	173.1	-57.2	174.8	0	0	0	107.3	C90	C90-I92 WeakPolarHBondContact CB-O 3.14Å; C90-I92 PolarHBondContact O-N 3.17Å; C90-I92 VanDerWaalsContact O-N 3.08Å
93	P	90.3	Very high	93.2	Very high	102 Å²	102	45.2 Å²	45.2	66%	0.662	26%	0.258	S	S	*	.	S	Bend	trans	-57.3	158.5	177.5	-27.7	35.8	0	0	0	113.6
94	P	92.5	Very high	93.2	Very high	104 Å²	104	48.1 Å²	48.1	68%	0.675	27%	0.274	S	S	*	.	S	Bend	cis	-75.2	151.6	3.5	31.5	-35.5	0	0	0	113
95	D	93.8	Very high	93.1	Very high	38 Å²	38	47.7 Å²	47.7	20%	0.203	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-64.8	147.4	169.3	-68.3	-19.5	0	0	0	110.3	Y44 R56 F87 H88 C90	Y44-D95 HydrophobicContact CE1-CB 4.35Å; Y44-D95 VanDerWaalsContact CE1-OD2 3.29Å; Y44-D95 WeakPolarHBondContact CE1-OD2 3.4Å; Y44-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y44-D95 PolarHBondContact OH-OD2 2.78Å; R56-D95 IonicContact NH1-OD2 3.9Å; F87-D95 HydrophobicContact CB-CB 4.36Å; F87-D95 HydrophobicContact CD1-CB 4.32Å; H88-D95 WeakPolarHBondContact O-CB 3.47Å; C90-D95 PolarHBondContact N-OD1 3.39Å
96	D	92.1	Very high	93	Very high	22 Å²	22	51.4 Å²	51.4	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.7	-173.5	-172.6	33.7	0	0	0	111.1	T21 S24 F87 H88	T21-D96 PolarHBondContact OG1-OD2 2.7Å; S24-D96 WeakPolarHBondContact CB-OD2 3.3Å; S24-D96 PolarHBondContact N-OD2 2.83Å; S24-D96 VanDerWaalsContact N-OD2 3.11Å; S24-D96 PolarHBondContact OG-OD2 3.21Å; F87-D96 CarbonylContact C-O 3.59Å; F87-D96 WeakPolarHBondContact CA-O 3.44Å; H88-D96 HydrophobicContact CB-CB 4.27Å; H88-D96 PolarHBondContact N-O 2.97Å; H88-D96 PolarHBondContact O-N 2.99Å
97	F	93.1	Very high	92.8	Very high	57 Å²	57	56.4 Å²	56.4	25%	0.25	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.1	175.2	170.9	-88.4	0	0	0	109.7	T21 T85 F87 A99 N100 V122	T21-F97 WeakPolarHBondContact CG2-O 3.33Å; T85-F97 HydrophobicContact CG2-CD2 3.71Å; T85-F97 HydrophobicContact CG2-CE2 3.67Å; F87-F97 HydrophobicContact CD1-CB 4.43Å; F87-F97 HydrophobicContact CE1-CB 4.19Å; F97-A99 VanDerWaalsContact CZ-C 3.43Å; F97-N100 HydrophobicContact CE2-CB 3.82Å; F97-N100 HydrophobicContact CZ-CB 3.93Å; F97-V122 HydrophobicContact CE1-CB 3.86Å; F97-V122 HydrophobicContact CE1-CG2 4.28Å; F97-V122 HydrophobicContact CZ-CB 4.07Å; F97-V122 HydrophobicContact CZ-CG2 3.98Å
98	V	92.6	Very high	92.7	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.055	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-51.4	178.8	177.7	0	0	0	0	110.6	L18 I41 V86 H88	L18-V98 HydrophobicContact CD2-CG1 4.36Å; I41-V98 HydrophobicContact CD1-CB 4.5Å; I41-V98 HydrophobicContact CD1-CG1 3.97Å; I41-V98 HydrophobicContact CD1-CG2 3.82Å; V86-V98 HydrophobicContact CB-CB 4.24Å; V86-V98 HydrophobicContact CG1-CB 4.05Å; V86-V98 HydrophobicContact CG1-CG1 4.31Å; V86-V98 WeakPolarHBondContact O-CB 3.29Å; V86-V98 PolarHBondContact O-N 2.77Å; H88-V98 HydrophobicContact CB-CG2 4.07Å
99	A	93.1	Very high	92.6	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.008	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	160.3	-176.1	0	0	0	0	0	111	T85 V86 F97 Q119	T85-A99 CarbonylContact C-O 3.58Å; V86-A99 HydrophobicContact CB-CB 4.31Å; V86-A99 HydrophobicContact CG2-CB 4.38Å; V86-A99 PolarHBondContact N-O 2.63Å; V86-A99 PolarHBondContact O-N 3.06Å; F97-A99 VanDerWaalsContact CZ-C 3.43Å; A99-Q119 HydrophobicContact CB-CB 4Å; A99-Q119 HydrophobicContact CB-CG 4.13Å
100	N	93.7	Very high	92.4	Very high	34 Å²	34	67.1 Å²	67.1	18%	0.182	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.3	168.6	172.2	-92.9	0	0	0	110	L84 T85 F97 Q120	L84-N100 CarbonylContact O-C 3.35Å; L84-N100 WeakPolarHBondContact O-CA 3.49Å; L84-N100 PolarHBondContact O-ND2 3.33Å; T85-N100 HydrophobicContact CG2-CB 4.38Å; T85-N100 PolarHBondContact OG1-ND2 3.24Å; F97-N100 HydrophobicContact CE2-CB 3.82Å; F97-N100 HydrophobicContact CZ-CB 3.93Å; N100-Q120 PolarHBondContact N-O 3.39Å; N100-Q120 PolarHBondContact O-N 3.34Å
101	C	92.4	Very high	92.4	Very high	12 Å²	12	69.9 Å²	69.9	8%	0.081	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154	158	58.9	0	0	0	0	110.8	L84 V117	L84-C101 VanDerWaalsContact CB-SG 3.53Å; L84-C101 PolarHBondContact N-O 3.04Å; L84-C101 PolarHBondContact O-N 2.97Å; C101-V117 HydrophobicContact CB-CB 4.27Å; C101-V117 HydrophobicContact CB-CG1 3.53Å
102	R	93.4	Very high	92.3	Very high	98 Å²	98	72.1 Å²	72.1	37%	0.37	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.7	178.6	-167.3	174.2	-170.8	92.8	-21.6	108.9	D48 S81 L82	D48-R102 IonicContact OD1-NH1 3.76Å; S81-R102 VanDerWaalsContact CB-NE 3.27Å; S81-R102 PolarHBondContact OG-NE 3.29Å; S81-R102 PolarHBondContact OG-NH2 3.12Å; L82-R102 WeakPolarHBondContact O-CA 3.31Å
103	V	93.4	Very high	92.6	Very high	20 Å²	20	68.3 Å²	68.3	12%	0.121	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.3	175.5	-176.4	0	0	0	0	107.5	S81 L82 L108 V117	S81-V103 CarbonylContact C-O 3.53Å; S81-V103 VanDerWaalsContact CA-O 3.29Å; S81-V103 WeakPolarHBondContact CA-O 3.05Å; L82-V103 PolarHBondContact N-O 2.98Å; L82-V103 PolarHBondContact O-N 2.87Å; V103-L108 HydrophobicContact CG1-CD1 3.9Å; V103-L108 HydrophobicContact CG1-CD2 3.72Å; V103-L108 HydrophobicContact CG1-CG 3.75Å; V103-V117 HydrophobicContact CG2-CB 4.35Å; V103-V117 HydrophobicContact CG2-CG1 3.72Å; V103-V117 HydrophobicContact CG2-CG2 3.65Å
104	N	94.7	Very high	92.6	Very high	62 Å²	62	70.4 Å²	70.4	33%	0.332	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	140.5	173.7	-54.6	-44.3	0	0	0	109	T80 E106 D107	T80-N104 WeakPolarHBondContact O-CA 3.14Å; N104-E106 HydrophobicContact CB-CG 4Å; N104-E106 PolarHBondContact O-N 3.27Å; N104-D107 WeakPolarHBondContact CB-OD2 3.44Å; N104-D107 PolarHBondContact ND2-OD2 3.48Å; N104-D107 PolarHBondContact O-N 3.48Å; N104-D107 VanDerWaalsContact O-N 3.13Å
105	F	95.1	Very high	92.5	Very high	20 Å²	20	70.1 Å²	70.1	9%	0.088	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-64.4	-26.5	177.2	-72.7	-63	0	0	0	112.5	F4 V8 I49 A76 T80 S81 L82 D107 L108	F4-F105 HydrophobicContact CB-CB 3.57Å; F4-F105 HydrophobicContact CB-CD1 4.42Å; F4-F105 HydrophobicContact CB-CD2 3.95Å; F4-F105 HydrophobicContact CB-CG 3.74Å; F4-F105 HydrophobicContact CD1-CD1 4.12Å; F4-F105 HydrophobicContact CD1-CD2 4.45Å; F4-F105 HydrophobicContact CD1-CE1 4.33Å; F4-F105 HydrophobicContact CD1-CG 4.21Å; F4-F105 HydrophobicContact CG-CB 4.24Å; F4-F105 HydrophobicContact CG-CD1 4.35Å; F4-F105 HydrophobicContact CG-CG 4.16Å; V8-F105 HydrophobicContact CG1-CE1 4Å; V8-F105 HydrophobicContact CG1-CZ 4.36Å; V8-F105 HydrophobicContact CG2-CE1 3.69Å; V8-F105 HydrophobicContact CG2-CZ 3.76Å; I49-F105 HydrophobicContact CG1-CZ 4.46Å; I49-F105 HydrophobicContact CG2-CE2 4.16Å; A76-F105 HydrophobicContact CB-CE2 4.47Å; A76-F105 HydrophobicContact CB-CZ 4.5Å; T80-F105 VanDerWaalsContact C-CD2 3.44Å; T80-F105 PolarHBondContact O-N 3.45Å; S81-F105 VanDerWaalsContact C-CE2 3.49Å; S81-F105 VanDerWaalsContact N-CD2 3.28Å; S81-F105 WeakPolarHBondContact O-CE2 3.45Å; L82-F105 HydrophobicContact CB-CE1 4.36Å; L82-F105 HydrophobicContact CB-CZ 4.15Å; F105-D107 PolarHBondContact O-N 3.05Å; F105-L108 HydrophobicContact CD1-CD1 4.12Å; F105-L108 PolarHBondContact O-N 2.91Å
106	E	94.3	Very high	92.2	Very high	95 Å²	95	76.6 Å²	76.6	44%	0.444	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-68.6	-20.6	176.4	67	-177.1	-172.8	0	0	113.7	Q2 N104 L108	Q2-E106 HydrophobicContact CB-CB 4.21Å; Q2-E106 PolarHBondContact N-OE2 3.24Å; N104-E106 HydrophobicContact CB-CG 4Å; N104-E106 PolarHBondContact O-N 3.27Å; E106-L108 VanDerWaalsContact C-N 3.34Å
107	D	93	Very high	91.8	Very high	114 Å²	114	77.8 Å²	77.8	61%	0.61	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-86.8	-5.9	176.3	-62.1	-40.7	0	0	0	112.5	N104 F105	N104-D107 WeakPolarHBondContact CB-OD2 3.44Å; N104-D107 PolarHBondContact ND2-OD2 3.48Å; N104-D107 PolarHBondContact O-N 3.48Å; N104-D107 VanDerWaalsContact O-N 3.13Å; F105-D107 PolarHBondContact O-N 3.05Å
108	L	92.9	Very high	91.3	Very high	44 Å²	44	86 Å²	86	23%	0.23	43%	0.43	C	S	.	.	S	Bend	trans	-100.6	142.8	-177.5	-66.1	178.7	0	0	0	112.1	V103 F105 E106 N113 L115	V103-L108 HydrophobicContact CG1-CD1 3.9Å; V103-L108 HydrophobicContact CG1-CD2 3.72Å; V103-L108 HydrophobicContact CG1-CG 3.75Å; F105-L108 HydrophobicContact CD1-CD1 4.12Å; F105-L108 PolarHBondContact O-N 2.91Å; E106-L108 VanDerWaalsContact C-N 3.34Å; L108-N113 HydrophobicContact CD2-CB 4.02Å; L108-L115 HydrophobicContact CD2-CD1 3.46Å; L108-L115 VanDerWaalsContact CD2-CD1 3.46Å
109	Q	92.2	Very high	90.5	Very high	150 Å²	150	88.1 Å²	88.1	70%	0.701	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-77.1	144.7	170.1	-62.4	-179.4	-7.7	0	0	110.2	G111 N113	Q109-G111 PolarHBondContact O-N 3.17Å; Q109-N113 PolarHBondContact N-OD1 3.07Å; Q109-N113 PolarHBondContact O-ND2 3.39Å
110	L	90	Very high	89.3	Confident	156 Å²	156	94.2 Å²	94.2	82%	0.817	47%	0.467	S	S	*	.	S	Bend	trans	-63.3	134.4	168.3	-66.3	177.7	0	0	0	109.6	F4	F4-L110 HydrophobicContact CD2-CD2 4.41Å; F4-L110 HydrophobicContact CE2-CD2 3.79Å
111	G	91.4	Very high	87.6	Confident	80 Å²	80	96.7 Å²	96.7	83%	0.825	49%	0.487	S	S	*	.	S	Bend	trans	106.7	-118.7	-177.1	0	0	0	0	0	112.1	Q109	Q109-G111 PolarHBondContact O-N 3.17Å
112	Q	87.8	Confident	85.5	Confident	156 Å²	156	99.9 Å²	99.9	73%	0.729	51%	0.506	S	S	*	.			trans	-110.1	131.5	-175.3	-175.9	172	-1.9	0	0	110.9
113	N	92.4	Very high	83.4	Confident	61 Å²	61	102.4 Å²	102.4	33%	0.326	52%	0.522	S	S	.	.			trans	-123.5	136.3	169.1	-58.4	-92.4	0	0	0	107.2	L108 Q109 L115	L108-N113 HydrophobicContact CD2-CB 4.02Å; Q109-N113 PolarHBondContact N-OD1 3.07Å; Q109-N113 PolarHBondContact O-ND2 3.39Å; N113-L115 HydrophobicContact CB-CD1 4Å; N113-L115 HydrophobicContact CB-CG 4.18Å
114	D	91.2	Very high	80.9	Confident	145 Å²	145	107.2 Å²	107.2	78%	0.775	55%	0.551	S	S	*	*			trans	-125.9	105.7	174.8	-171.7	9.1	0	0	0	108
115	L	90.2	Very high	78.1	Confident	99 Å²	99	110.4 Å²	110.4	52%	0.518	56%	0.564	S	S	.	*			trans	-138.3	132.5	-162.5	-58.8	172.2	0	0	0	110.7	L108 N113 V117	L108-L115 HydrophobicContact CD2-CD1 3.46Å; L108-L115 VanDerWaalsContact CD2-CD1 3.46Å; N113-L115 HydrophobicContact CB-CD1 4Å; N113-L115 HydrophobicContact CB-CG 4.18Å; L115-V117 HydrophobicContact CB-CG2 4.39Å
116	W	86.2	Confident	75.1	Confident	173 Å²	173	120.4 Å²	120.4	66%	0.655	60%	0.601	S	S	*	*			trans	-83.8	110.6	157.6	-78.9	91.5	0	0	0	108.7	E14	E14-W116 HydrophobicContact CG-CH2 3.63Å; E14-W116 HydrophobicContact CG-CZ2 4.13Å; E14-W116 HydrophobicContact CG-CZ3 4.45Å; E14-W116 WeakPolarHBondContact OE1-CH2 3.43Å; E14-W116 VanDerWaalsContact OE1-CZ2 3.28Å; E14-W116 WeakPolarHBondContact OE1-CZ2 3.41Å
117	V	85.5	Confident	72.1	Confident	48 Å²	48	123.3 Å²	123.3	29%	0.291	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-91.1	117.8	177.6	-167.4	0	0	0	0	108.7	C101 V103 L115 Q119	C101-V117 HydrophobicContact CB-CB 4.27Å; C101-V117 HydrophobicContact CB-CG1 3.53Å; V103-V117 HydrophobicContact CG2-CB 4.35Å; V103-V117 HydrophobicContact CG2-CG1 3.72Å; V103-V117 HydrophobicContact CG2-CG2 3.65Å; L115-V117 HydrophobicContact CB-CG2 4.39Å; V117-Q119 PolarHBondContact O-N 3.05Å
118	R	81.8	Confident	69.9	Low	229 Å²	229	132.7 Å²	132.7	86%	0.864	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-63.3	127	178.9	-173.4	175.8	-177.7	170.3	1.4	109.8
119	Q	76.5	Confident	68.8	Low	54 Å²	54	137.1 Å²	137.1	25%	0.252	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-69.7	135.8	174.6	-67.6	172.5	16	0	0	110.9	L18 A99 V117	L18-Q119 VanDerWaalsContact CD2-NE2 3.28Å; L18-Q119 VanDerWaalsContact CD2-OE1 3.25Å; A99-Q119 HydrophobicContact CB-CB 4Å; A99-Q119 HydrophobicContact CB-CG 4.13Å; V117-Q119 PolarHBondContact O-N 3.05Å
120	Q	67.2	Low	67.6	Low	128 Å²	128	136.4 Å²	136.4	60%	0.598	66%	0.66	S	S	*	*	B	Isolated β-bridge	trans	-91	112.4	163.8	-64.3	-177.8	-11.8	0	0	107.6	N100 V122	N100-Q120 PolarHBondContact N-O 3.39Å; N100-Q120 PolarHBondContact O-N 3.34Å; Q120-V122 PolarHBondContact O-N 3.19Å
121	S	57.9	Low	66.3	Low	87 Å²	87	135.3 Å²	135.3	61%	0.608	65%	0.651	S	S	*	*			trans	-76.7	105.9	166.4	-55.8	0	0	0	0	107.6	H123	S121-H123 PolarHBondContact O-N 3.31Å
122	V	48.1	Very low	64.8	Low	78 Å²	78	138.6 Å²	138.6	47%	0.473	64%	0.641	S	S	.	*			trans	-82.2	108.1	171.5	-174.3	0	0	0	0	107.3	F97 Q120 V124	F97-V122 HydrophobicContact CE1-CB 3.86Å; F97-V122 HydrophobicContact CE1-CG2 4.28Å; F97-V122 HydrophobicContact CZ-CB 4.07Å; F97-V122 HydrophobicContact CZ-CG2 3.98Å; Q120-V122 PolarHBondContact O-N 3.19Å; V122-V124 HydrophobicContact CG1-CG2 3.75Å; V122-V124 PolarHBondContact O-N 2.7Å
123	H	49.3	Very low	63.4	Low	151 Å²	151	137.5 Å²	137.5	70%	0.699	64%	0.636	S	S	*	*			trans	-81.4	100.3	169.8	-169.8	76.6	0	0	0	108.1	S121 E125	S121-H123 PolarHBondContact O-N 3.31Å; H123-E125 PolarHBondContact O-N 2.91Å
124	V	42.3	Very low	61.5	Low	122 Å²	122	142.6 Å²	142.6	74%	0.739	66%	0.656	S	S	*	*			trans	-90.3	99.5	172.4	-175.8	0	0	0	0	108.1	V122	V122-V124 HydrophobicContact CG1-CG2 3.75Å; V122-V124 PolarHBondContact O-N 2.7Å
125	E	34	Very low	59.3	Low	129 Å²	129	142.4 Å²	142.4	60%	0.603	65%	0.648	S	S	*	*			trans	-88.4	125.8	171.5	-167.9	179.4	-158.6	0	0	109.5	H123 Q127	H123-E125 PolarHBondContact O-N 2.91Å; E125-Q127 PolarHBondContact O-N 2.89Å
126	R	32	Very low	57	Low	230 Å²	230	145.8 Å²	145.8	87%	0.868	66%	0.658	S	S	*	*			trans	-79.4	108.3	168.6	-177.1	-175.8	177.1	-161.9	0.7	108.5
127	Q	32.9	Very low	54.5	Low	155 Å²	155	143.5 Å²	143.5	72%	0.724	66%	0.658	S	S	*	*			trans	-73.5	135.8	166.2	-61.1	-100.4	-35.4	0	0	108.7	E125	E125-Q127 PolarHBondContact O-N 2.89Å
128	R	47	Very low	51.7	Low	311 Å²	311	152.2 Å²	152.2	100%	1.174	69%	0.691	S	S	*	*			trans	-76.2	0	170.4	-83.8	-170.2	180	-166.9	1.2	110.9

Retrieved 128 of 128 residues in 66.5 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).