A0A5K4F748_SCHMA Loading...

Apple domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F748, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 123 aa.

						>A0A5K4F748_SCHMA|A0A5K4F748
MLLIATVYLVKLLDCQCIPLPKRKALLLGCSNDFGQWIVVRNDKTEVRAPVMKIVMQKNETELCKSRCLLQENCTTVFYSKFSVSLYCAGFNKFSNVEETRNIPSEYNELYCCCKCTLAVNCL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	44.8	Very low	41.4	Very low	241 Å²	241	134.1 Å²	134.1	100%	1.187	71%	0.712	S	S	*	*				0	114.6	0	-68.6	173.7	86.5	0	0	107.7	L3	M1-L3 PolarHBondContact O-N 3.08Å
2	L	35.8	Very low	42	Very low	170 Å²	170	124.2 Å²	124.2	89%	0.89	66%	0.659	S	S	*	*			trans	-72	116.3	177.9	-110.6	80.4	0	0	0	109.4	I4	L2-I4 PolarHBondContact O-N 2.79Å
3	L	35.9	Very low	42.4	Very low	173 Å²	173	120.8 Å²	120.8	91%	0.906	64%	0.641	S	S	*	*			trans	-77.2	97.6	165.9	-100.1	126	0	0	0	108.2	M1 A5	M1-L3 PolarHBondContact O-N 3.08Å; L3-A5 PolarHBondContact O-N 3.24Å; L3-A5 VanDerWaalsContact O-N 3.08Å
4	I	41.1	Very low	42.9	Very low	141 Å²	141	122.1 Å²	122.1	72%	0.723	65%	0.648	S	S	*	*			trans	-69.2	102	168.3	-58.1	172.9	0	0	0	106.5	L2 T6	L2-I4 PolarHBondContact O-N 2.79Å; I4-T6 PolarHBondContact O-N 3.08Å; I4-T6 PolarHBondContact O-OG1 2.82Å
5	A	36.7	Very low	43.2	Very low	91 Å²	91	116.1 Å²	116.1	75%	0.752	62%	0.619	S	S	*	*			trans	-59.2	103	168.3	0	0	0	0	0	107.7	L3 V7	L3-A5 PolarHBondContact O-N 3.24Å; L3-A5 VanDerWaalsContact O-N 3.08Å; A5-V7 PolarHBondContact O-N 3.25Å
6	T	42.3	Very low	43.7	Very low	97 Å²	97	116.8 Å²	116.8	60%	0.595	62%	0.618	S	S	*	*			trans	-72.8	110.9	179.6	-45.9	0	0	0	0	107.1	I4 Y8	I4-T6 PolarHBondContact O-N 3.08Å; I4-T6 PolarHBondContact O-OG1 2.82Å; T6-Y8 WeakPolarHBondContact O-CD2 3.46Å; T6-Y8 VanDerWaalsContact O-CE2 3.3Å; T6-Y8 WeakPolarHBondContact O-CE2 3.35Å; T6-Y8 PolarHBondContact O-N 3.21Å
7	V	42.3	Very low	44.4	Very low	136 Å²	136	110.5 Å²	110.5	82%	0.824	59%	0.585	S	S	*	*			trans	-67.3	115	174.2	176.2	0	0	0	0	107.9	A5 L9	A5-V7 PolarHBondContact O-N 3.25Å; V7-L9 PolarHBondContact O-N 2.77Å
8	Y	48.1	Very low	45	Very low	122 Å²	122	106.8 Å²	106.8	48%	0.478	57%	0.565	S	S	.	*			trans	-78.7	112.2	179.6	-64.8	-88.7	0	0	0	109.6	T6 V10	T6-Y8 WeakPolarHBondContact O-CD2 3.46Å; T6-Y8 VanDerWaalsContact O-CE2 3.3Å; T6-Y8 WeakPolarHBondContact O-CE2 3.35Å; T6-Y8 PolarHBondContact O-N 3.21Å; Y8-V10 PolarHBondContact O-N 3.45Å
9	L	40.9	Very low	45.6	Very low	141 Å²	141	104.3 Å²	104.3	74%	0.738	56%	0.556	S	S	*	*			trans	-84.3	103.3	171.2	-159.4	85.1	0	0	0	108.9	V7	V7-L9 PolarHBondContact O-N 2.77Å
10	V	47	Very low	46.1	Very low	17 Å²	17	99.9 Å²	99.9	10%	0.103	53%	0.532	C	S	.	.			trans	-94	111.7	176.8	-179.7	0	0	0	0	109	Y8 C17 F78 Y111	Y8-V10 PolarHBondContact O-N 3.45Å; V10-C17 HydrophobicContact CG1-CB 4.24Å; V10-F78 HydrophobicContact CG1-CD1 3.59Å; V10-F78 HydrophobicContact CG1-CE1 3.98Å; V10-Y111 HydrophobicContact CG2-CE1 3.87Å
11	K	40.7	Very low	46.4	Very low	146 Å²	146	98.3 Å²	98.3	64%	0.635	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	133.9	170.5	-75.1	-173.2	174.2	-174.5	0	108.9	Y79	K11-Y79 WeakPolarHBondContact O-CD2 3.04Å
12	L	48.9	Very low	46.9	Very low	15 Å²	15	88.3 Å²	88.3	8%	0.079	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	99.5	179.7	-152.3	130.7	0	0	0	110.6	D14 C15 T76 V77 F78	L12-D14 PolarHBondContact O-N 2.83Å; L12-C15 PolarHBondContact N-O 3.01Å; L12-C15 PolarHBondContact O-N 3.22Å; L12-T76 HydrophobicContact CD1-CG2 3.24Å; L12-T76 HydrophobicContact CD2-CG2 3.57Å; L12-T76 HydrophobicContact CG-CG2 3.98Å; L12-V77 VanDerWaalsContact CD1-C 3.49Å; L12-V77 WeakPolarHBondContact CD1-O 3.5Å; L12-V77 WeakPolarHBondContact CG-O 3.41Å; L12-F78 HydrophobicContact CD1-CD1 4.34Å; L12-F78 HydrophobicContact CD1-CD2 3.85Å; L12-F78 HydrophobicContact CD1-CE1 4.27Å; L12-F78 HydrophobicContact CD1-CE2 3.82Å; L12-F78 HydrophobicContact CD1-CG 4.15Å; L12-F78 HydrophobicContact CD1-CZ 4.03Å
13	L	46.8	Very low	48	Very low	81 Å²	81	90.5 Å²	90.5	42%	0.424	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-49.1	174.1	-103.6	155.6	0	0	0	117.4	K65 V77	L13-K65 HydrophobicContact CD1-CB 4.44Å; L13-K65 HydrophobicContact CD1-CD 4.42Å; L13-K65 HydrophobicContact CD1-CG 3.85Å; L13-K65 HydrophobicContact CD2-CD 3.35Å; L13-K65 HydrophobicContact CD2-CG 3.74Å; L13-K65 HydrophobicContact CG-CD 3.81Å; L13-K65 VanDerWaalsContact CG-CE 3.46Å; L13-K65 HydrophobicContact CG-CG 3.69Å; L13-V77 HydrophobicContact CD1-CG2 3.76Å; L13-V77 HydrophobicContact CG-CG2 4.16Å
14	D	49.7	Very low	48.8	Very low	139 Å²	139	88.3 Å²	88.3	74%	0.743	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.5	6.3	164.4	-77.2	-53.2	0	0	0	112.6	L12 C116	L12-D14 PolarHBondContact O-N 2.83Å; D14-C116 HydrophobicContact CB-CB 4.47Å; D14-C116 WeakPolarHBondContact CB-SG 3.4Å; D14-C116 PolarHBondContact O-SG 3.49Å
15	C	46.8	Very low	49.4	Very low	31 Å²	31	81.6 Å²	81.6	21%	0.209	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	147	-172.1	-63.5	0	0	0	0	112.8	L12 C114 C116	L12-C15 PolarHBondContact N-O 3.01Å; L12-C15 PolarHBondContact O-N 3.22Å; C15-C114 WeakPolarHBondContact CB-O 3.32Å; C15-C114 PolarHBondContact SG-O 2.91Å; C15-C116 PolarHBondContact SG-SG 3.41Å
16	Q	51.4	Low	50.1	Low	128 Å²	128	81.1 Å²	81.1	60%	0.598	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.8	165.2	-68.3	-174.5	2.7	0	0	109.1	C114	Q16-C114 PolarHBondContact O-N 2.97Å; Q16-C114 VanDerWaalsContact O-N 3.13Å
17	C	56	Low	50.7	Low	10 Å²	10	83.5 Å²	83.5	7%	0.068	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.2	173.6	-58.5	0	0	0	0	109.6	V10 Y111 C112 C113	V10-C17 HydrophobicContact CG1-CB 4.24Å; C17-Y111 HydrophobicContact CB-CD1 4.28Å; C17-C112 WeakPolarHBondContact CA-O 3.37Å; C17-C113 HydrophobicContact CB-CB 4.08Å; C17-C113 WeakPolarHBondContact CB-SG 3.46Å; C17-C113 WeakPolarHBondContact SG-CB 3.21Å; C17-C113 CovalentContact SG-SG 2.03Å; C17-C113 PolarHBondContact SG-SG 3.46Å
18	I	54.7	Low	51.2	Low	44 Å²	44	80.1 Å²	80.1	23%	0.226	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.6	179.2	-55.7	176.5	0	0	0	107.8	L20 Y111 C112 C122 L123	I18-L20 HydrophobicContact CG2-CD2 4.14Å; I18-L20 HydrophobicContact CG2-CG 4.31Å; I18-L20 PolarHBondContact O-N 2.88Å; I18-Y111 WeakPolarHBondContact O-CA 3.45Å; I18-C112 PolarHBondContact N-O 2.73Å; I18-C112 PolarHBondContact O-N 3.23Å; I18-C112 VanDerWaalsContact O-N 3.08Å; I18-C122 HydrophobicContact CD1-CB 4.38Å; I18-L123 HydrophobicContact CD1-CD1 3.57Å; I18-L123 HydrophobicContact CD1-CD2 4.16Å; I18-L123 HydrophobicContact CD1-CG 3.58Å
19	P	57.2	Low	51.3	Low	58 Å²	58	77.4 Å²	77.4	38%	0.377	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	121.9	170.2	24.6	-29.3	0	0	0	108.7	Y111	P19-Y111 HydrophobicContact CB-CD1 4.07Å; P19-Y111 HydrophobicContact CB-CE1 3.59Å; P19-Y111 HydrophobicContact CB-CE2 4.22Å; P19-Y111 HydrophobicContact CG-CE1 4.2Å
20	L	54.4	Low	51.9	Low	17 Å²	17	71 Å²	71	9%	0.089	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.5	174	-68.1	174	0	0	0	109.6	I18 K22 A25 L28 W37 L110 C112 L123	I18-L20 HydrophobicContact CG2-CD2 4.14Å; I18-L20 HydrophobicContact CG2-CG 4.31Å; I18-L20 PolarHBondContact O-N 2.88Å; L20-K22 PolarHBondContact O-N 3.42Å; L20-A25 HydrophobicContact CB-CB 3.93Å; L20-L28 HydrophobicContact CD1-CB 4.49Å; L20-L28 HydrophobicContact CD1-CD1 4.01Å; L20-L28 HydrophobicContact CD2-CD1 4.05Å; L20-W37 HydrophobicContact CD1-CH2 4.13Å; L20-W37 HydrophobicContact CD1-CZ3 4.26Å; L20-L110 WeakPolarHBondContact CA-O 3.4Å; L20-L110 PolarHBondContact N-O 3.37Å; L20-L110 PolarHBondContact O-N 3.34Å; L20-C112 HydrophobicContact CD1-CB 4.14Å; L20-L123 HydrophobicContact CD2-CD2 4.45Å
21	P	53.3	Low	52	Low	67 Å²	67	71.9 Å²	71.9	44%	0.435	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	136.6	166.1	-22.7	31.8	0	0	0	109.3	R23 K24 A25 N108	P21-R23 PolarHBondContact O-N 3.39Å; P21-K24 HydrophobicContact CG-CD 4.26Å; P21-K24 HydrophobicContact CG-CG 4.48Å; P21-K24 CarbonylContact O-C 3.52Å; P21-K24 WeakPolarHBondContact O-CA 3.29Å; P21-K24 PolarHBondContact O-N 3.46Å; P21-A25 PolarHBondContact O-N 3.42Å; P21-N108 WeakPolarHBondContact CA-O 3.46Å
22	K	55.1	Low	52.3	Low	30 Å²	30	70.1 Å²	70.1	13%	0.13	37%	0.373	C	S	.	.	H	α-helix	trans	-45.5	-41.1	-176.7	-177.5	-178.4	-177.9	-171.6	0	113.7	L20 A25 L26 I103 P104 N108 L110	L20-K22 PolarHBondContact O-N 3.42Å; K22-A25 WeakPolarHBondContact O-CB 3.49Å; K22-A25 PolarHBondContact O-N 3.4Å; K22-L26 HydrophobicContact CG-CD1 4.24Å; K22-L26 WeakPolarHBondContact O-CG 3.34Å; K22-L26 PolarHBondContact O-N 2.9Å; K22-I103 PolarHBondContact NZ-O 3.42Å; K22-P104 PolarHBondContact NZ-O 2.75Å; K22-N108 PolarHBondContact N-O 3.42Å; K22-L110 HydrophobicContact CB-CD1 4.25Å; K22-L110 HydrophobicContact CB-CG 4.42Å; K22-L110 HydrophobicContact CG-CD1 3.85Å; K22-L110 HydrophobicContact CG-CG 4.43Å
23	R	58	Low	52.1	Low	216 Å²	216	74.1 Å²	74.1	82%	0.815	39%	0.394	S	S	*	.	H	α-helix	trans	-63.9	-40.1	177.8	-66.5	-174.1	-178.2	-168	0.6	113.3	P21 L27	P21-R23 PolarHBondContact O-N 3.39Å; R23-L27 WeakPolarHBondContact O-CD1 3.29Å; R23-L27 VanDerWaalsContact O-CG 3.3Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å
24	K	54	Low	51.9	Low	127 Å²	127	74 Å²	74	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-73.9	-36.3	174.2	-70	-169.2	176.1	-175.2	0	111.3	P21 L26 L27 L28	P21-K24 HydrophobicContact CG-CD 4.26Å; P21-K24 HydrophobicContact CG-CG 4.48Å; P21-K24 CarbonylContact O-C 3.52Å; P21-K24 WeakPolarHBondContact O-CA 3.29Å; P21-K24 PolarHBondContact O-N 3.46Å; K24-L26 VanDerWaalsContact C-N 3.35Å; K24-L26 PolarHBondContact O-N 3.08Å; K24-L27 PolarHBondContact O-N 3.02Å; K24-L27 VanDerWaalsContact O-N 3.15Å; K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 WeakPolarHBondContact O-CG 3.36Å; K24-L28 PolarHBondContact O-N 3.31Å
25	A	52.5	Low	51.8	Low	1 Å²	1	67.7 Å²	67.7	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-39.7	176.1	0	0	0	0	0	113	L20 P21 K22 L27 L28 W37 L110	L20-A25 HydrophobicContact CB-CB 3.93Å; P21-A25 PolarHBondContact O-N 3.42Å; K22-A25 WeakPolarHBondContact O-CB 3.49Å; K22-A25 PolarHBondContact O-N 3.4Å; A25-L27 VanDerWaalsContact C-N 3.27Å; A25-L27 PolarHBondContact O-N 2.72Å; A25-L28 CarbonylContact O-C 3.59Å; A25-W37 HydrophobicContact CB-CE3 4.18Å; A25-W37 HydrophobicContact CB-CH2 3.17Å; A25-W37 HydrophobicContact CB-CZ2 4.02Å; A25-W37 HydrophobicContact CB-CZ3 3.24Å; A25-W37 WeakPolarHBondContact O-CH2 3.35Å; A25-W37 WeakPolarHBondContact O-CZ2 3.33Å; A25-L110 HydrophobicContact CB-CB 3.9Å; A25-L110 HydrophobicContact CB-CD1 3.75Å; A25-L110 HydrophobicContact CB-CG 4.4Å
26	L	52.7	Low	52	Low	81 Å²	81	68.8 Å²	68.8	42%	0.424	36%	0.361	S	S	.	.	H	α-helix	trans	-72.2	-21.1	176.2	-69.8	170.7	0	0	0	113.5	K22 K24 R101	K22-L26 HydrophobicContact CG-CD1 4.24Å; K22-L26 WeakPolarHBondContact O-CG 3.34Å; K22-L26 PolarHBondContact O-N 2.9Å; K24-L26 VanDerWaalsContact C-N 3.35Å; K24-L26 PolarHBondContact O-N 3.08Å; L26-R101 HydrophobicContact CD2-CG 3.99Å
27	L	54.1	Low	52.2	Low	146 Å²	146	63.1 Å²	63.1	76%	0.764	33%	0.334	S	S	*	.	H	α-helix	trans	-88.4	-35.6	178.3	-67.7	169.6	0	0	0	112.2	R23 K24 A25 G29	R23-L27 WeakPolarHBondContact O-CD1 3.29Å; R23-L27 VanDerWaalsContact O-CG 3.3Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; K24-L27 PolarHBondContact O-N 3.02Å; K24-L27 VanDerWaalsContact O-N 3.15Å; A25-L27 VanDerWaalsContact C-N 3.27Å; A25-L27 PolarHBondContact O-N 2.72Å; L27-G29 PolarHBondContact O-N 3.17Å
28	L	52.2	Low	52.3	Low	66 Å²	66	62.7 Å²	62.7	35%	0.346	33%	0.331	S	S	.	.	S	Bend	trans	-90.6	99	174.9	-63.7	170.7	0	0	0	107.3	L20 K24 A25 C30 L123	L20-L28 HydrophobicContact CD1-CB 4.49Å; L20-L28 HydrophobicContact CD1-CD1 4.01Å; L20-L28 HydrophobicContact CD2-CD1 4.05Å; K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 WeakPolarHBondContact O-CG 3.36Å; K24-L28 PolarHBondContact O-N 3.31Å; A25-L28 CarbonylContact O-C 3.59Å; L28-C30 VanDerWaalsContact C-N 3.28Å; L28-C30 PolarHBondContact O-N 2.91Å; L28-L123 HydrophobicContact CD1-CD2 4.15Å
29	G	51	Low	52.3	Low	65 Å²	65	60.8 Å²	60.8	67%	0.67	32%	0.321	S	S	*	.			trans	-60.6	89.3	177	0	0	0	0	0	110.9	L27 S31	L27-G29 PolarHBondContact O-N 3.17Å; G29-S31 PolarHBondContact O-N 3.24Å
30	C	52.8	Low	52.2	Low	6 Å²	6	59.7 Å²	59.7	4%	0.041	31%	0.313	C	S	.	.			trans	-62.4	88	161.9	-163.2	0	0	0	0	105	L28 W37 C112	L28-C30 VanDerWaalsContact C-N 3.28Å; L28-C30 PolarHBondContact O-N 2.91Å; C30-W37 HydrophobicContact CB-CD2 4.07Å; C30-W37 HydrophobicContact CB-CE3 4.48Å; C30-W37 HydrophobicContact CB-CH2 3.62Å; C30-W37 HydrophobicContact CB-CZ2 3.14Å; C30-W37 HydrophobicContact CB-CZ3 4.29Å; C30-C112 HydrophobicContact CB-CB 3.91Å; C30-C112 WeakPolarHBondContact CB-SG 3.3Å; C30-C112 VanDerWaalsContact SG-CA 3.54Å; C30-C112 WeakPolarHBondContact SG-CB 3.38Å; C30-C112 CovalentContact SG-SG 2.03Å; C30-C112 PolarHBondContact SG-SG 3.42Å
31	S	50.1	Low	52.1	Low	35 Å²	35	65.1 Å²	65.1	25%	0.245	33%	0.333	C	S	.	.			trans	-73.1	155.5	-176.2	91.8	0	0	0	0	108.4	G29 D33 F34 G35	G29-S31 PolarHBondContact O-N 3.24Å; S31-D33 PolarHBondContact O-N 3.39Å; S31-D33 WeakPolarHBondContact OG-CB 3.38Å; S31-D33 PolarHBondContact OG-N 2.94Å; S31-D33 VanDerWaalsContact OG-N 3.13Å; S31-D33 PolarHBondContact OG-OD2 2.84Å; S31-F34 PolarHBondContact O-N 3.23Å; S31-F34 WeakPolarHBondContact OG-CD2 3.32Å; S31-F34 PolarHBondContact OG-N 3.2Å; S31-G35 PolarHBondContact O-N 3.45Å
32	N	46.9	Very low	51.7	Low	109 Å²	109	62.6 Å²	62.6	58%	0.583	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-19.4	174.1	-63.3	-17.1	0	0	0	113.1	S95	N32-S95 PolarHBondContact OD1-O 2.69Å
33	D	43.6	Very low	51.2	Low	100 Å²	100	66.4 Å²	66.4	54%	0.535	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-38.6	179.5	-50	-47.3	0	0	0	111.9	S31	S31-D33 PolarHBondContact O-N 3.39Å; S31-D33 WeakPolarHBondContact OG-CB 3.38Å; S31-D33 PolarHBondContact OG-N 2.94Å; S31-D33 VanDerWaalsContact OG-N 3.13Å; S31-D33 PolarHBondContact OG-OD2 2.84Å
34	F	44.3	Very low	50.7	Low	78 Å²	78	64.3 Å²	64.3	34%	0.342	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-38	-171.4	-62.1	-65.1	0	0	0	112.8	S31 C114 K115 L118 N121	S31-F34 PolarHBondContact O-N 3.23Å; S31-F34 WeakPolarHBondContact OG-CD2 3.32Å; S31-F34 PolarHBondContact OG-N 3.2Å; F34-C114 CarbonylContact O-C 3.39Å; F34-C114 WeakPolarHBondContact O-CA 3.32Å; F34-C114 WeakPolarHBondContact O-CB 3.28Å; F34-C114 PolarHBondContact O-SG 3.19Å; F34-K115 PolarHBondContact O-N 3.35Å; F34-L118 HydrophobicContact CD1-CB 4.28Å; F34-L118 HydrophobicContact CD1-CD1 3.93Å; F34-L118 HydrophobicContact CE1-CD1 4.04Å; F34-L118 HydrophobicContact CE1-CD2 4.27Å; F34-N121 HydrophobicContact CD1-CB 4.26Å; F34-N121 HydrophobicContact CE1-CB 4.18Å
35	G	45.8	Very low	49.9	Very low	7 Å²	7	62.7 Å²	62.7	7%	0.072	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	-179.5	179.1	0	0	0	0	0	117.4	S31 C113	S31-G35 PolarHBondContact O-N 3.45Å; G35-C113 CarbonylContact C-O 3.47Å; G35-C113 WeakPolarHBondContact CA-O 3.35Å
36	Q	52.7	Low	49.3	Very low	54 Å²	54	71 Å²	71	25%	0.252	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.4	-175.6	-66	173.9	1.3	0	0	111.2	K93 C112 C113	Q36-K93 VanDerWaalsContact CD-CE 3.49Å; Q36-K93 HydrophobicContact CG-CD 4.49Å; Q36-K93 HydrophobicContact CG-CG 4.42Å; Q36-C112 WeakPolarHBondContact O-CA 3.05Å; Q36-C113 PolarHBondContact N-O 3.32Å; Q36-C113 PolarHBondContact O-N 2.88Å
37	W	55.8	Low	48.9	Very low	8 Å²	8	71 Å²	71	3%	0.03	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.3	175.9	-69.2	112.7	0	0	0	111.5	L20 A25 C30 F94 T100 L110 Y111 C112	L20-W37 HydrophobicContact CD1-CH2 4.13Å; L20-W37 HydrophobicContact CD1-CZ3 4.26Å; A25-W37 HydrophobicContact CB-CE3 4.18Å; A25-W37 HydrophobicContact CB-CH2 3.17Å; A25-W37 HydrophobicContact CB-CZ2 4.02Å; A25-W37 HydrophobicContact CB-CZ3 3.24Å; A25-W37 WeakPolarHBondContact O-CH2 3.35Å; A25-W37 WeakPolarHBondContact O-CZ2 3.33Å; C30-W37 HydrophobicContact CB-CD2 4.07Å; C30-W37 HydrophobicContact CB-CE3 4.48Å; C30-W37 HydrophobicContact CB-CH2 3.62Å; C30-W37 HydrophobicContact CB-CZ2 3.14Å; C30-W37 HydrophobicContact CB-CZ3 4.29Å; W37-F94 HydrophobicContact CB-CB 4.42Å; W37-F94 WeakPolarHBondContact O-CD2 3.07Å; W37-T100 HydrophobicContact CB-CG2 4.25Å; W37-T100 WeakPolarHBondContact CB-OG1 3.22Å; W37-T100 HydrophobicContact CD2-CG2 4.07Å; W37-T100 HydrophobicContact CG-CG2 3.81Å; W37-T100 VanDerWaalsContact CG-OG1 3.31Å; W37-L110 HydrophobicContact CE3-CB 3.54Å; W37-L110 HydrophobicContact CE3-CD1 4.27Å; W37-L110 HydrophobicContact CE3-CG 4.46Å; W37-L110 HydrophobicContact CZ3-CB 3.78Å; W37-Y111 CarbonylContact C-O 3.6Å; W37-Y111 WeakPolarHBondContact CA-O 3.36Å; W37-C112 HydrophobicContact CE3-CB 4.32Å; W37-C112 HydrophobicContact CH2-CB 4.2Å; W37-C112 HydrophobicContact CZ3-CB 3.86Å
38	I	56.9	Low	48.8	Very low	1 Å²	1	70 Å²	70	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.8	165.4	-55.1	101.2	0	0	0	111.7	V40 T76 F78 F91 L110 Y111 C113	I38-V40 HydrophobicContact CG2-CG2 4.03Å; I38-T76 HydrophobicContact CD1-CG2 3.7Å; I38-T76 HydrophobicContact CG1-CG2 3.89Å; I38-F78 HydrophobicContact CB-CE2 3.84Å; I38-F78 HydrophobicContact CB-CZ 3.52Å; I38-F78 HydrophobicContact CD1-CE2 4.01Å; I38-F78 HydrophobicContact CD1-CZ 3.58Å; I38-F78 HydrophobicContact CG1-CE2 3.82Å; I38-F78 HydrophobicContact CG1-CZ 3.72Å; I38-F78 HydrophobicContact CG2-CE2 3.49Å; I38-F78 VanDerWaalsContact CG2-CE2 3.49Å; I38-F78 HydrophobicContact CG2-CZ 3.6Å; I38-F91 HydrophobicContact CG2-CB 3.8Å; I38-F91 HydrophobicContact CG2-CD1 3.85Å; I38-F91 HydrophobicContact CG2-CD2 4.3Å; I38-F91 HydrophobicContact CG2-CE1 4.48Å; I38-F91 HydrophobicContact CG2-CG 3.73Å; I38-L110 CarbonylContact O-C 3.57Å; I38-L110 VanDerWaalsContact O-CA 3.29Å; I38-L110 WeakPolarHBondContact O-CA 3.3Å; I38-Y111 PolarHBondContact N-O 3.18Å; I38-Y111 PolarHBondContact O-N 3.09Å; I38-C113 HydrophobicContact CD1-CB 4.13Å; I38-C113 WeakPolarHBondContact CD1-SG 3.19Å
39	V	54.3	Low	48.9	Very low	5 Å²	5	71 Å²	71	3%	0.03	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.6	173.6	178.8	0	0	0	0	110.5	F91 F94 I103 Y107 L110	V39-F91 WeakPolarHBondContact O-CE1 3.01Å; V39-F94 HydrophobicContact CB-CE2 4.34Å; V39-F94 HydrophobicContact CG2-CE2 3.75Å; V39-F94 HydrophobicContact CG2-CZ 4.15Å; V39-I103 HydrophobicContact CG2-CD1 3.38Å; V39-I103 HydrophobicContact CG2-CG1 4.1Å; V39-I103 HydrophobicContact CG2-CG2 4.14Å; V39-Y107 HydrophobicContact CG1-CD1 3.09Å; V39-Y107 HydrophobicContact CG1-CE1 3.44Å; V39-Y107 VanDerWaalsContact CG1-CE1 3.44Å; V39-Y107 HydrophobicContact CG1-CG 3.94Å; V39-L110 HydrophobicContact CG2-CD2 3.81Å
40	V	56.2	Low	49.3	Very low	35 Å²	35	69.1 Å²	69.1	21%	0.212	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-18.9	-176.2	177.8	0	0	0	0	113.7	I38 F78 F91 E109 Y111	I38-V40 HydrophobicContact CG2-CG2 4.03Å; V40-F78 HydrophobicContact CG2-CD1 4.31Å; V40-F78 HydrophobicContact CG2-CE1 3.91Å; V40-F78 HydrophobicContact CG2-CZ 4.04Å; V40-F91 HydrophobicContact CG2-CZ 4.49Å; V40-E109 PolarHBondContact N-O 3.1Å; V40-Y111 HydrophobicContact CB-CD2 3.68Å; V40-Y111 HydrophobicContact CB-CE2 3.3Å; V40-Y111 HydrophobicContact CG1-CD2 4.47Å; V40-Y111 HydrophobicContact CG1-CE2 3.73Å; V40-Y111 HydrophobicContact CG2-CD2 3.19Å; V40-Y111 HydrophobicContact CG2-CE2 3.32Å; V40-Y111 HydrophobicContact CG2-CG 4.03Å
41	R	52.6	Low	49.8	Very low	130 Å²	130	71.2 Å²	71.2	49%	0.491	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	136	-178	-145.5	172.7	-172.3	-171.4	1.2	115.3	N108 E109	R41-N108 PolarHBondContact O-N 3.41Å; R41-E109 HydrophobicContact CB-CB 4.5Å
42	N	44.8	Very low	50.6	Low	14 Å²	14	70.3 Å²	70.3	8%	0.075	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	155.8	144.9	80.1	22	0	0	0	108.9	K44 T45 E106 Y107	N42-K44 PolarHBondContact OD1-N 2.74Å; N42-T45 PolarHBondContact ND2-O 3.39Å; N42-T45 PolarHBondContact OD1-N 1.97Å; N42-T45 PolarHBondContact OD1-O 2.86Å; N42-E106 WeakPolarHBondContact CB-O 2.88Å; N42-Y107 HydrophobicContact CB-CD1 4.46Å
43	D	44.8	Very low	51.8	Low	111 Å²	111	71.9 Å²	71.9	59%	0.594	36%	0.363	S	S	*	.	S	Bend	trans	-93.5	7.7	-176.6	55.3	-23.3	0	0	0	113.4	N108	D43-N108 WeakPolarHBondContact CB-ND2 3.4Å; D43-N108 PolarHBondContact N-ND2 2.86Å; D43-N108 PolarHBondContact OD1-ND2 2.57Å
44	K	45.6	Very low	53.1	Low	172 Å²	172	67.8 Å²	67.8	75%	0.748	34%	0.341	S	S	*	.	S	Bend	trans	-134.2	-33.4	-170.4	-70.6	-173.1	178.6	179.6	0	116.9	N42	N42-K44 PolarHBondContact OD1-N 2.74Å
45	T	39.1	Very low	54.6	Low	93 Å²	93	68.3 Å²	68.3	57%	0.571	35%	0.35	S	S	*	.	S	Bend	trans	-168.7	111.2	-169.2	37.9	0	0	0	0	111.5	N42	N42-T45 PolarHBondContact ND2-O 3.39Å; N42-T45 PolarHBondContact OD1-N 1.97Å; N42-T45 PolarHBondContact OD1-O 2.86Å
46	E	39	Very low	55.8	Low	175 Å²	175	68.8 Å²	68.8	82%	0.818	35%	0.351	S	S	*	.			trans	59.3	98.1	171.1	-60.5	-175.8	163.6	0	0	115.5	R48	E46-R48 PolarHBondContact O-N 3.05Å
47	V	44.1	Very low	56.8	Low	81 Å²	81	73 Å²	73	49%	0.491	37%	0.37	S	S	.	.			trans	-44.2	124.9	155.1	177.2	0	0	0	0	106.8	A49	V47-A49 VanDerWaalsContact C-N 3.3Å; V47-A49 WeakPolarHBondContact O-CA 3.47Å; V47-A49 PolarHBondContact O-N 2.79Å
48	R	51.2	Low	57.3	Low	126 Å²	126	81.6 Å²	81.6	48%	0.475	41%	0.408	S	S	.	.			trans	-51.2	108.2	164.1	-107.4	-167.8	-173.6	-154.9	4.1	105.4	E46 F94 Y107	E46-R48 PolarHBondContact O-N 3.05Å; R48-F94 VanDerWaalsContact NH1-CZ 3.34Å; R48-Y107 HydrophobicContact CG-CE1 4.31Å
49	A	54.3	Low	57.6	Low	86 Å²	86	88.7 Å²	88.7	71%	0.711	45%	0.446	S	S	*	.			trans	-54.5	121.8	-165.6	0	0	0	0	0	106.3	V47 V51	V47-A49 VanDerWaalsContact C-N 3.3Å; V47-A49 WeakPolarHBondContact O-CA 3.47Å; V47-A49 PolarHBondContact O-N 2.79Å; A49-V51 PolarHBondContact O-N 3.04Å
50	P	60.8	Low	58.4	Low	26 Å²	26	91.1 Å²	91.1	17%	0.169	46%	0.457	C	S	.	.			trans	-55.8	137.6	173.7	30.8	-38.3	0	0	0	106.4	M52 K53 A89 G90 F91	P50-M52 VanDerWaalsContact CB-O 3.31Å; P50-M52 WeakPolarHBondContact CB-O 3.3Å; P50-M52 PolarHBondContact O-N 2.65Å; P50-K53 HydrophobicContact CG-CB 3.86Å; P50-K53 HydrophobicContact CG-CG 4.5Å; P50-A89 HydrophobicContact CB-CB 3.75Å; P50-A89 HydrophobicContact CG-CB 4.17Å; P50-G90 CarbonylContact C-O 3.51Å; P50-G90 VanDerWaalsContact C-O 3.31Å; P50-G90 WeakPolarHBondContact CA-O 3.22Å; P50-G90 VanDerWaalsContact CB-O 3.26Å; P50-G90 WeakPolarHBondContact CB-O 3.39Å; P50-F91 HydrophobicContact CB-CE1 4.14Å; P50-F91 HydrophobicContact CB-CE2 4.3Å; P50-F91 HydrophobicContact CB-CZ 4.04Å
51	V	63.6	Low	59.2	Low	50 Å²	50	91.8 Å²	91.8	30%	0.303	46%	0.461	S	S	.	.	S	Bend	trans	-53.5	-29.6	-178.6	-167.8	0	0	0	0	110.1	A49 Q71 C74 G90 N92	A49-V51 PolarHBondContact O-N 3.04Å; V51-Q71 HydrophobicContact CG1-CB 3.85Å; V51-Q71 HydrophobicContact CG1-CG 4.31Å; V51-C74 HydrophobicContact CB-CB 4.31Å; V51-C74 HydrophobicContact CG1-CB 4.42Å; V51-G90 PolarHBondContact N-O 2.84Å; V51-N92 WeakPolarHBondContact CG2-OD1 3.43Å
52	M	66.6	Low	60	Low	16 Å²	16	91.3 Å²	91.3	8%	0.079	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.6	163.9	55.6	125.1	-75.1	0	0	111.1	P50 I54 C64 R67 C68 Q71 C88 A89 G90	P50-M52 VanDerWaalsContact CB-O 3.31Å; P50-M52 WeakPolarHBondContact CB-O 3.3Å; P50-M52 PolarHBondContact O-N 2.65Å; M52-I54 HydrophobicContact CE-CB 4.17Å; M52-I54 HydrophobicContact CE-CD1 3.6Å; M52-I54 HydrophobicContact CE-CG1 3.57Å; M52-I54 HydrophobicContact SD-CD1 3.69Å; M52-I54 HydrophobicContact SD-CG1 4.19Å; M52-C64 VanDerWaalsContact CE-SG 3.59Å; M52-R67 HydrophobicContact SD-CB 3.85Å; M52-C68 HydrophobicContact SD-CB 4.4Å; M52-Q71 HydrophobicContact CB-CG 4.07Å; M52-Q71 HydrophobicContact CG-CG 4.26Å; M52-C88 HydrophobicContact CE-CB 4.24Å; M52-C88 WeakPolarHBondContact CE-O 3.46Å; M52-A89 CarbonylContact O-C 3.56Å; M52-A89 WeakPolarHBondContact O-CA 3.48Å; M52-G90 PolarHBondContact O-N 2.84Å
53	K	71	Confident	61.4	Low	141 Å²	141	93.9 Å²	93.9	61%	0.613	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	130.4	166.1	-171.8	176.8	178.1	-179.5	0	109.5	P50 C88	P50-K53 HydrophobicContact CG-CB 3.86Å; P50-K53 HydrophobicContact CG-CG 4.5Å; K53-C88 CarbonylContact C-O 3.31Å; K53-C88 WeakPolarHBondContact CA-O 3.08Å
54	I	71.2	Confident	62.6	Low	14 Å²	14	88.7 Å²	88.7	7%	0.072	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.1	179.4	-55.8	165.2	0	0	0	107.9	M52 M56 R67 Y87 C88	M52-I54 HydrophobicContact CE-CB 4.17Å; M52-I54 HydrophobicContact CE-CD1 3.6Å; M52-I54 HydrophobicContact CE-CG1 3.57Å; M52-I54 HydrophobicContact SD-CD1 3.69Å; M52-I54 HydrophobicContact SD-CG1 4.19Å; I54-M56 PolarHBondContact O-N 2.8Å; I54-R67 HydrophobicContact CD1-CB 3.61Å; I54-R67 HydrophobicContact CD1-CG 3.49Å; I54-R67 VanDerWaalsContact CD1-CG 3.49Å; I54-Y87 CarbonylContact O-C 3.58Å; I54-Y87 WeakPolarHBondContact O-CA 3.47Å; I54-C88 PolarHBondContact N-O 2.99Å; I54-C88 PolarHBondContact O-N 2.99Å
55	V	76.9	Confident	63.7	Low	89 Å²	89	82 Å²	82	54%	0.539	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.4	164.7	-172.1	0	0	0	0	106.5	Y87	V55-Y87 HydrophobicContact CB-CE1 4.43Å; V55-Y87 HydrophobicContact CG1-CE1 4.4Å; V55-Y87 HydrophobicContact CG2-CD1 3.99Å; V55-Y87 HydrophobicContact CG2-CE1 3.64Å
56	M	69.6	Low	65.4	Low	17 Å²	17	80.5 Å²	80.5	8%	0.084	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.6	-179.6	-59.6	-158.4	-38.1	0	0	111	I54 E60 C64 Y79 L86 C88	I54-M56 PolarHBondContact O-N 2.8Å; M56-E60 WeakPolarHBondContact CA-OE2 3.2Å; M56-E60 HydrophobicContact CB-CB 4.25Å; M56-E60 HydrophobicContact CG-CB 4.47Å; M56-C64 HydrophobicContact SD-CB 4.24Å; M56-Y79 HydrophobicContact CE-CD1 3.44Å; M56-Y79 VanDerWaalsContact CE-CD1 3.44Å; M56-Y79 HydrophobicContact CE-CE1 3.95Å; M56-Y79 HydrophobicContact CE-CG 4.45Å; M56-Y79 HydrophobicContact SD-CD1 3.47Å; M56-Y79 WeakPolarHBondContact SD-CD1 3.05Å; M56-Y79 HydrophobicContact SD-CE1 3.49Å; M56-Y79 WeakPolarHBondContact SD-CE1 3.39Å; M56-L86 HydrophobicContact CB-CB 4.05Å; M56-L86 HydrophobicContact CE-CB 4.13Å; M56-L86 PolarHBondContact N-O 3.33Å; M56-C88 HydrophobicContact CG-CB 3.79Å; M56-C88 HydrophobicContact SD-CB 3.68Å
57	Q	74.6	Confident	67.1	Low	143 Å²	143	77.7 Å²	77.7	67%	0.668	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-79.4	165.4	154.4	-56.2	-169.4	3.5	0	0	109.6	N59 E60	Q57-N59 PolarHBondContact O-N 2.93Å; Q57-E60 HydrophobicContact CB-CG 4.23Å; Q57-E60 PolarHBondContact N-OE2 2.03Å; Q57-E60 PolarHBondContact O-N 2.99Å
58	K	65.8	Low	68.4	Low	188 Å²	188	74.1 Å²	74.1	82%	0.817	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	131.4	-179.1	-71.7	-178.2	179.4	177.6	0	109.9
59	N	64.4	Low	69.3	Low	151 Å²	151	75.2 Å²	75.2	81%	0.807	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	13.8	177.1	-55.5	-14.4	0	0	0	117.2	Q57 T61	Q57-N59 PolarHBondContact O-N 2.93Å; N59-T61 PolarHBondContact O-N 3.2Å; N59-T61 VanDerWaalsContact O-N 3.08Å
60	E	71.4	Confident	70.5	Confident	55 Å²	55	77.3 Å²	77.3	26%	0.257	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	22.8	173.7	-66.3	-172.4	147.4	0	0	114.3	M56 Q57 E62 L63 C64	M56-E60 WeakPolarHBondContact CA-OE2 3.2Å; M56-E60 HydrophobicContact CB-CB 4.25Å; M56-E60 HydrophobicContact CG-CB 4.47Å; Q57-E60 HydrophobicContact CB-CG 4.23Å; Q57-E60 PolarHBondContact N-OE2 2.03Å; Q57-E60 PolarHBondContact O-N 2.99Å; E60-E62 PolarHBondContact O-N 3.1Å; E60-L63 HydrophobicContact CB-CB 4.23Å; E60-L63 HydrophobicContact CB-CD2 4.42Å; E60-L63 HydrophobicContact CG-CD2 4.43Å; E60-L63 WeakPolarHBondContact O-CB 3.3Å; E60-L63 PolarHBondContact O-N 3.26Å; E60-C64 PolarHBondContact O-N 2.93Å
61	T	71	Confident	71	Confident	49 Å²	49	80.1 Å²	80.1	30%	0.301	40%	0.399	S	S	.	.	H	α-helix	trans	-58	-46.6	179.1	-48.4	0	0	0	0	111.2	N59 L63 C64 K65 Y79	N59-T61 PolarHBondContact O-N 3.2Å; N59-T61 VanDerWaalsContact O-N 3.08Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.28Å; T61-C64 PolarHBondContact O-N 3.34Å; T61-K65 HydrophobicContact CG2-CD 4.44Å; T61-K65 VanDerWaalsContact O-CG 3.29Å; T61-K65 WeakPolarHBondContact O-CG 3.18Å; T61-K65 PolarHBondContact O-N 2.83Å; T61-Y79 HydrophobicContact CG2-CE1 3.84Å; T61-Y79 HydrophobicContact CG2-CE2 4.05Å; T61-Y79 VanDerWaalsContact CG2-CZ 3.44Å; T61-Y79 VanDerWaalsContact CG2-OH 3.22Å; T61-Y79 WeakPolarHBondContact CG2-OH 2.97Å; T61-Y79 PolarHBondContact O-OH 3.36Å
62	E	69.7	Low	71	Confident	121 Å²	121	85.5 Å²	85.5	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-65.7	-35.8	178.5	-65	-50.6	126.4	0	0	112.8	E60 C64 K65 S66	E60-E62 PolarHBondContact O-N 3.1Å; E62-C64 VanDerWaalsContact C-N 3.34Å; E62-C64 PolarHBondContact O-N 3.1Å; E62-K65 PolarHBondContact O-N 3.5Å; E62-K65 WeakPolarHBondContact OE1-CD 2.99Å; E62-K65 WeakPolarHBondContact OE1-CE 3.26Å; E62-K65 IonicContact OE1-NZ 3.85Å; E62-K65 PolarHBondContact OE1-NZ 3.13Å; E62-K65 WeakPolarHBondContact OE2-CD 3.06Å; E62-K65 IonicContact OE2-NZ 2.72Å; E62-S66 WeakPolarHBondContact O-CB 3.21Å; E62-S66 PolarHBondContact O-N 3.12Å
63	L	74.6	Confident	70.8	Confident	68 Å²	68	89.7 Å²	89.7	36%	0.356	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-44.4	173.9	179.2	63.7	0	0	0	110.6	E60 T61 S66 R67	E60-L63 HydrophobicContact CB-CB 4.23Å; E60-L63 HydrophobicContact CB-CD2 4.42Å; E60-L63 HydrophobicContact CG-CD2 4.43Å; E60-L63 WeakPolarHBondContact O-CB 3.3Å; E60-L63 PolarHBondContact O-N 3.26Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.28Å; L63-S66 PolarHBondContact O-N 3.08Å; L63-R67 HydrophobicContact CD1-CG 4.36Å; L63-R67 WeakPolarHBondContact O-CG 3.43Å; L63-R67 PolarHBondContact O-N 2.03Å
64	C	70	Confident	70.6	Confident	1 Å²	1	83.5 Å²	83.5	1%	0.007	42%	0.417	C	S	.	.	H	α-helix	trans	-63.4	-46.3	177.4	-176.7	0	0	0	0	112.5	M52 M56 E60 T61 E62 S66 R67 C68 Y79 C88	M52-C64 VanDerWaalsContact CE-SG 3.59Å; M56-C64 HydrophobicContact SD-CB 4.24Å; E60-C64 PolarHBondContact O-N 2.93Å; T61-C64 PolarHBondContact O-N 3.34Å; E62-C64 VanDerWaalsContact C-N 3.34Å; E62-C64 PolarHBondContact O-N 3.1Å; C64-S66 VanDerWaalsContact C-N 3.3Å; C64-S66 PolarHBondContact O-N 2Å; C64-R67 PolarHBondContact O-N 3.47Å; C64-C68 PolarHBondContact O-N 2.99Å; C64-Y79 HydrophobicContact CB-CE1 4.03Å; C64-C88 HydrophobicContact CB-CB 3.46Å; C64-C88 VanDerWaalsContact CB-CB 3.46Å; C64-C88 WeakPolarHBondContact CB-SG 3.49Å; C64-C88 WeakPolarHBondContact SG-CB 3.38Å; C64-C88 CovalentContact SG-SG 1.97Å; C64-C88 PolarHBondContact SG-SG 2.93Å
65	K	69.7	Low	70.2	Confident	33 Å²	33	86.6 Å²	86.6	14%	0.143	44%	0.437	C	S	.	.	H	α-helix	trans	-54.6	-50	176.2	-67.1	167.2	171.9	-167.3	0	110.5	L13 T61 E62 R67 C68 L69 V77	L13-K65 HydrophobicContact CD1-CB 4.44Å; L13-K65 HydrophobicContact CD1-CD 4.42Å; L13-K65 HydrophobicContact CD1-CG 3.85Å; L13-K65 HydrophobicContact CD2-CD 3.35Å; L13-K65 HydrophobicContact CD2-CG 3.74Å; L13-K65 HydrophobicContact CG-CD 3.81Å; L13-K65 VanDerWaalsContact CG-CE 3.46Å; L13-K65 HydrophobicContact CG-CG 3.69Å; T61-K65 HydrophobicContact CG2-CD 4.44Å; T61-K65 VanDerWaalsContact O-CG 3.29Å; T61-K65 WeakPolarHBondContact O-CG 3.18Å; T61-K65 PolarHBondContact O-N 2.83Å; E62-K65 PolarHBondContact O-N 3.5Å; E62-K65 WeakPolarHBondContact OE1-CD 2.99Å; E62-K65 WeakPolarHBondContact OE1-CE 3.26Å; E62-K65 IonicContact OE1-NZ 3.85Å; E62-K65 PolarHBondContact OE1-NZ 3.13Å; E62-K65 WeakPolarHBondContact OE2-CD 3.06Å; E62-K65 IonicContact OE2-NZ 2.72Å; K65-R67 PolarHBondContact O-N 2.88Å; K65-C68 PolarHBondContact O-N 2.9Å; K65-L69 WeakPolarHBondContact O-CG 3.31Å; K65-L69 PolarHBondContact O-N 2.75Å; K65-V77 HydrophobicContact CG-CG2 4.34Å
66	S	74.8	Confident	69.5	Low	60 Å²	60	82.4 Å²	82.4	42%	0.42	41%	0.412	S	S	.	.	H	α-helix	trans	-58.8	-45.8	177.6	178.2	0	0	0	0	112.1	E62 L63 C64 C68 L69 L70	E62-S66 WeakPolarHBondContact O-CB 3.21Å; E62-S66 PolarHBondContact O-N 3.12Å; L63-S66 PolarHBondContact O-N 3.08Å; C64-S66 VanDerWaalsContact C-N 3.3Å; C64-S66 PolarHBondContact O-N 2Å; S66-C68 VanDerWaalsContact C-N 3.32Å; S66-C68 PolarHBondContact O-N 3.31Å; S66-L69 PolarHBondContact O-N 3.43Å; S66-L70 WeakPolarHBondContact O-CG 3.39Å; S66-L70 PolarHBondContact O-N 2.95Å; S66-L70 VanDerWaalsContact O-N 3.1Å
67	R	74.7	Confident	69.2	Low	117 Å²	117	81.6 Å²	81.6	44%	0.442	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-39.8	177.4	-67.5	-127.7	-167.2	147.8	-4.9	112.5	M52 I54 L63 C64 K65 L70 Q71	M52-R67 HydrophobicContact SD-CB 3.85Å; I54-R67 HydrophobicContact CD1-CB 3.61Å; I54-R67 HydrophobicContact CD1-CG 3.49Å; I54-R67 VanDerWaalsContact CD1-CG 3.49Å; L63-R67 HydrophobicContact CD1-CG 4.36Å; L63-R67 WeakPolarHBondContact O-CG 3.43Å; L63-R67 PolarHBondContact O-N 2.03Å; C64-R67 PolarHBondContact O-N 3.47Å; K65-R67 PolarHBondContact O-N 2.88Å; R67-L70 PolarHBondContact O-N 2.82Å; R67-Q71 WeakPolarHBondContact O-CG 3.27Å; R67-Q71 PolarHBondContact O-N 3.27Å
68	C	70.9	Confident	68.8	Low	5 Å²	5	75.3 Å²	75.3	3%	0.034	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-45.3	174.8	-177.2	0	0	0	0	111.3	M52 C64 K65 S66 L70 Q71 C74 V77	M52-C68 HydrophobicContact SD-CB 4.4Å; C64-C68 PolarHBondContact O-N 2.99Å; K65-C68 PolarHBondContact O-N 2.9Å; S66-C68 VanDerWaalsContact C-N 3.32Å; S66-C68 PolarHBondContact O-N 3.31Å; C68-L70 PolarHBondContact O-N 3.19Å; C68-L70 VanDerWaalsContact O-N 3.1Å; C68-Q71 PolarHBondContact O-N 3Å; C68-C74 WeakPolarHBondContact CA-SG 3.28Å; C68-C74 HydrophobicContact CB-CB 4.11Å; C68-C74 WeakPolarHBondContact CB-SG 3.1Å; C68-C74 VanDerWaalsContact O-CB 3.28Å; C68-C74 WeakPolarHBondContact O-CB 3.06Å; C68-C74 WeakPolarHBondContact SG-CB 3.46Å; C68-C74 PolarHBondContact SG-O 3.15Å; C68-C74 CovalentContact SG-SG 2.03Å; C68-C74 PolarHBondContact SG-SG 2.77Å; C68-V77 HydrophobicContact CB-CG1 3.31Å; C68-V77 VanDerWaalsContact SG-CG1 3.58Å
69	L	70.1	Confident	68.6	Low	149 Å²	149	67.9 Å²	67.9	78%	0.78	35%	0.345	S	S	*	.	H	α-helix	trans	-60.4	-23.4	176.4	-66.9	172.4	0	0	0	113.6	K65 S66	K65-L69 WeakPolarHBondContact O-CG 3.31Å; K65-L69 PolarHBondContact O-N 2.75Å; S66-L69 PolarHBondContact O-N 3.43Å
70	L	78.4	Confident	68.4	Low	131 Å²	131	63 Å²	63	69%	0.686	32%	0.323	S	S	*	.	H	α-helix	trans	-85.7	-17.4	174.8	-66.6	172.1	0	0	0	113.7	S66 R67 C68	S66-L70 WeakPolarHBondContact O-CG 3.39Å; S66-L70 PolarHBondContact O-N 2.95Å; S66-L70 VanDerWaalsContact O-N 3.1Å; R67-L70 PolarHBondContact O-N 2.82Å; C68-L70 PolarHBondContact O-N 3.19Å; C68-L70 VanDerWaalsContact O-N 3.1Å
71	Q	72.7	Confident	67.8	Low	85 Å²	85	66.6 Å²	66.6	40%	0.397	34%	0.338	S	S	.	.	S	Bend	trans	-88.7	129.4	176.5	-66.8	-48.6	-69.5	0	0	110.1	V51 M52 R67 C68 N73 C74	V51-Q71 HydrophobicContact CG1-CB 3.85Å; V51-Q71 HydrophobicContact CG1-CG 4.31Å; M52-Q71 HydrophobicContact CB-CG 4.07Å; M52-Q71 HydrophobicContact CG-CG 4.26Å; R67-Q71 WeakPolarHBondContact O-CG 3.27Å; R67-Q71 PolarHBondContact O-N 3.27Å; C68-Q71 PolarHBondContact O-N 3Å; Q71-N73 PolarHBondContact O-N 3.13Å; Q71-C74 HydrophobicContact CB-CB 3.7Å; Q71-C74 PolarHBondContact O-N 3.18Å
72	E	63.1	Low	67.1	Low	162 Å²	162	70 Å²	70	76%	0.757	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	132.6	173.7	-160.8	-179.2	179.3	0	0	110.1	C74	E72-C74 PolarHBondContact O-N 3.33Å; E72-C74 VanDerWaalsContact O-N 3.13Å
73	N	61.9	Low	66.4	Low	105 Å²	105	69 Å²	69	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-8	-179.3	-49.1	-56.8	0	0	0	116.6	Q71 T75 N92	Q71-N73 PolarHBondContact O-N 3.13Å; N73-T75 PolarHBondContact O-N 3.37Å; N73-T75 PolarHBondContact O-OG1 2.84Å; N73-T75 VanDerWaalsContact O-OG1 3.14Å; N73-N92 VanDerWaalsContact C-OD1 3.22Å; N73-N92 WeakPolarHBondContact CB-OD1 2.97Å; N73-N92 WeakPolarHBondContact O-CA 2.9Å; N73-N92 PolarHBondContact O-OD1 3.22Å
74	C	67.8	Low	65.7	Low	10 Å²	10	72 Å²	72	7%	0.068	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.7	174.6	-170.8	0	0	0	0	110.2	V51 C68 Q71 E72 G90	V51-C74 HydrophobicContact CB-CB 4.31Å; V51-C74 HydrophobicContact CG1-CB 4.42Å; C68-C74 WeakPolarHBondContact CA-SG 3.28Å; C68-C74 HydrophobicContact CB-CB 4.11Å; C68-C74 WeakPolarHBondContact CB-SG 3.1Å; C68-C74 VanDerWaalsContact O-CB 3.28Å; C68-C74 WeakPolarHBondContact O-CB 3.06Å; C68-C74 WeakPolarHBondContact SG-CB 3.46Å; C68-C74 PolarHBondContact SG-O 3.15Å; C68-C74 CovalentContact SG-SG 2.03Å; C68-C74 PolarHBondContact SG-SG 2.77Å; Q71-C74 HydrophobicContact CB-CB 3.7Å; Q71-C74 PolarHBondContact O-N 3.18Å; E72-C74 PolarHBondContact O-N 3.33Å; E72-C74 VanDerWaalsContact O-N 3.13Å; C74-G90 WeakPolarHBondContact SG-CA 3.29Å
75	T	62.1	Low	65.2	Low	79 Å²	79	73.8 Å²	73.8	49%	0.485	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	-2.1	-169.2	34.6	0	0	0	0	111.4	N73 F91 K93	N73-T75 PolarHBondContact O-N 3.37Å; N73-T75 PolarHBondContact O-OG1 2.84Å; N73-T75 VanDerWaalsContact O-OG1 3.14Å; T75-F91 PolarHBondContact N-O 2.94Å; T75-F91 PolarHBondContact OG1-O 3.1Å; T75-K93 HydrophobicContact CG2-CB 4.37Å; T75-K93 WeakPolarHBondContact OG1-CA 3.33Å; T75-K93 WeakPolarHBondContact OG1-CB 3.3Å; T75-K93 PolarHBondContact OG1-N 2.96Å
76	T	61.9	Low	65	Low	2 Å²	2	75.2 Å²	75.2	1%	0.012	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	133.2	-170.4	-65.8	0	0	0	0	109.9	L12 I38 F78 G90 F91	L12-T76 HydrophobicContact CD1-CG2 3.24Å; L12-T76 HydrophobicContact CD2-CG2 3.57Å; L12-T76 HydrophobicContact CG-CG2 3.98Å; I38-T76 HydrophobicContact CD1-CG2 3.7Å; I38-T76 HydrophobicContact CG1-CG2 3.89Å; T76-F78 HydrophobicContact CG2-CD2 4.05Å; T76-F78 HydrophobicContact CG2-CE2 3.38Å; T76-F78 HydrophobicContact CG2-CZ 4.1Å; T76-G90 CarbonylContact O-C 3.44Å; T76-G90 VanDerWaalsContact O-CA 3.27Å; T76-G90 WeakPolarHBondContact O-CA 3.49Å; T76-F91 PolarHBondContact N-O 3.31Å; T76-F91 PolarHBondContact O-N 2.91Å
77	V	63.1	Low	64.6	Low	0 Å²	0	75.1 Å²	75.1	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.5	-177.6	-68.7	0	0	0	0	113.3	L12 L13 K65 C68 Y79 A89	L12-V77 VanDerWaalsContact CD1-C 3.49Å; L12-V77 WeakPolarHBondContact CD1-O 3.5Å; L12-V77 WeakPolarHBondContact CG-O 3.41Å; L13-V77 HydrophobicContact CD1-CG2 3.76Å; L13-V77 HydrophobicContact CG-CG2 4.16Å; K65-V77 HydrophobicContact CG-CG2 4.34Å; C68-V77 HydrophobicContact CB-CG1 3.31Å; C68-V77 VanDerWaalsContact SG-CG1 3.58Å; V77-Y79 HydrophobicContact CG2-CE2 4.02Å; V77-Y79 WeakPolarHBondContact CG2-OH 3.06Å; V77-A89 CarbonylContact C-O 3.58Å; V77-A89 WeakPolarHBondContact CA-O 3.29Å
78	F	67.3	Low	64.5	Low	10 Å²	10	69.5 Å²	69.5	4%	0.044	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.7	179.8	-73.2	-102.8	0	0	0	110.9	V10 L12 I38 V40 T76 C88 A89 F91 Y111	V10-F78 HydrophobicContact CG1-CD1 3.59Å; V10-F78 HydrophobicContact CG1-CE1 3.98Å; L12-F78 HydrophobicContact CD1-CD1 4.34Å; L12-F78 HydrophobicContact CD1-CD2 3.85Å; L12-F78 HydrophobicContact CD1-CE1 4.27Å; L12-F78 HydrophobicContact CD1-CE2 3.82Å; L12-F78 HydrophobicContact CD1-CG 4.15Å; L12-F78 HydrophobicContact CD1-CZ 4.03Å; I38-F78 HydrophobicContact CB-CE2 3.84Å; I38-F78 HydrophobicContact CB-CZ 3.52Å; I38-F78 HydrophobicContact CD1-CE2 4.01Å; I38-F78 HydrophobicContact CD1-CZ 3.58Å; I38-F78 HydrophobicContact CG1-CE2 3.82Å; I38-F78 HydrophobicContact CG1-CZ 3.72Å; I38-F78 HydrophobicContact CG2-CE2 3.49Å; I38-F78 VanDerWaalsContact CG2-CE2 3.49Å; I38-F78 HydrophobicContact CG2-CZ 3.6Å; V40-F78 HydrophobicContact CG2-CD1 4.31Å; V40-F78 HydrophobicContact CG2-CE1 3.91Å; V40-F78 HydrophobicContact CG2-CZ 4.04Å; T76-F78 HydrophobicContact CG2-CD2 4.05Å; T76-F78 HydrophobicContact CG2-CE2 3.38Å; T76-F78 HydrophobicContact CG2-CZ 4.1Å; F78-C88 CarbonylContact O-C 3.49Å; F78-C88 WeakPolarHBondContact O-CA 3.08Å; F78-A89 PolarHBondContact N-O 2.76Å; F78-A89 PolarHBondContact O-N 3.39Å; F78-F91 HydrophobicContact CB-CE2 3.95Å; F78-F91 AromaticContact CD2-CD2 3.15Å; F78-F91 HydrophobicContact CD2-CD2 3.15Å; F78-F91 AromaticContact CD2-CE2 3.24Å; F78-F91 HydrophobicContact CD2-CE2 3.24Å; F78-F91 HydrophobicContact CD2-CG 4.18Å; F78-F91 HydrophobicContact CD2-CZ 4.34Å; F78-F91 HydrophobicContact CE2-CB 4.48Å; F78-F91 AromaticContact CE2-CD2 3.53Å; F78-F91 HydrophobicContact CE2-CD2 3.53Å; F78-F91 AromaticContact CE2-CE2 3.9Å; F78-F91 HydrophobicContact CE2-CE2 3.9Å; F78-F91 HydrophobicContact CE2-CG 4.15Å; F78-F91 HydrophobicContact CG-CD2 4.13Å; F78-F91 AromaticContact CG-CE2 3.76Å; F78-F91 HydrophobicContact CG-CE2 3.76Å; F78-Y111 AromaticContact CE1-CD1 3.75Å; F78-Y111 HydrophobicContact CE1-CD1 3.75Å; F78-Y111 HydrophobicContact CE1-CD2 4.33Å; F78-Y111 HydrophobicContact CE1-CE1 4.24Å; F78-Y111 AromaticContact CE1-CG 3.76Å; F78-Y111 HydrophobicContact CE1-CG 3.76Å; F78-Y111 HydrophobicContact CZ-CG 4.29Å
79	Y	60.6	Low	64.5	Low	32 Å²	32	70 Å²	70	13%	0.125	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.3	167.4	-52.2	-80.3	0	0	0	109	K11 M56 T61 C64 V77 Y87 C88	K11-Y79 WeakPolarHBondContact O-CD2 3.04Å; M56-Y79 HydrophobicContact CE-CD1 3.44Å; M56-Y79 VanDerWaalsContact CE-CD1 3.44Å; M56-Y79 HydrophobicContact CE-CE1 3.95Å; M56-Y79 HydrophobicContact CE-CG 4.45Å; M56-Y79 HydrophobicContact SD-CD1 3.47Å; M56-Y79 WeakPolarHBondContact SD-CD1 3.05Å; M56-Y79 HydrophobicContact SD-CE1 3.49Å; M56-Y79 WeakPolarHBondContact SD-CE1 3.39Å; T61-Y79 HydrophobicContact CG2-CE1 3.84Å; T61-Y79 HydrophobicContact CG2-CE2 4.05Å; T61-Y79 VanDerWaalsContact CG2-CZ 3.44Å; T61-Y79 VanDerWaalsContact CG2-OH 3.22Å; T61-Y79 WeakPolarHBondContact CG2-OH 2.97Å; T61-Y79 PolarHBondContact O-OH 3.36Å; C64-Y79 HydrophobicContact CB-CE1 4.03Å; V77-Y79 HydrophobicContact CG2-CE2 4.02Å; V77-Y79 WeakPolarHBondContact CG2-OH 3.06Å; Y79-Y87 CarbonylContact C-O 3.58Å; Y79-Y87 VanDerWaalsContact CA-O 3.29Å; Y79-Y87 WeakPolarHBondContact CA-O 3.15Å; Y79-C88 HydrophobicContact CD1-CB 4.02Å; Y79-C88 HydrophobicContact CE1-CB 4.01Å; Y79-C88 WeakPolarHBondContact CE1-SG 3.1Å
80	S	61.4	Low	64.5	Low	50 Å²	50	62.9 Å²	62.9	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.5	175.3	-177.8	0	0	0	0	109.5	L86 Y87	S80-L86 CarbonylContact O-C 3.55Å; S80-Y87 PolarHBondContact N-O 2.82Å; S80-Y87 PolarHBondContact O-N 3.41Å
81	K	58.4	Low	64.1	Low	130 Å²	130	57.6 Å²	57.6	57%	0.565	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	170.9	-173.3	-178.7	177.3	-175.2	0	107.7	S85 L86	K81-S85 WeakPolarHBondContact CA-O 3.49Å; K81-L86 HydrophobicContact CB-CD2 4.34Å
82	F	55.1	Low	63.7	Low	119 Å²	119	56.8 Å²	56.8	52%	0.522	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.5	173.6	-158.5	-93.6	0	0	0	108.9	V84 S85 Y87	F82-V84 VanDerWaalsContact C-N 3.34Å; F82-V84 PolarHBondContact O-N 2.98Å; F82-S85 PolarHBondContact N-O 3.19Å; F82-S85 PolarHBondContact O-N 3.14Å; F82-S85 VanDerWaalsContact O-N 3.08Å; F82-Y87 HydrophobicContact CB-CD2 4.06Å; F82-Y87 HydrophobicContact CB-CE2 3.74Å
83	S	55.9	Low	63.5	Low	100 Å²	100	53.3 Å²	53.3	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-87.2	-171.9	-53.5	0	0	0	0	112.7
84	V	59.3	Low	63.4	Low	131 Å²	131	49.7 Å²	49.7	79%	0.794	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-15.3	-174.3	-69.5	0	0	0	0	113.3	F82	F82-V84 VanDerWaalsContact C-N 3.34Å; F82-V84 PolarHBondContact O-N 2.98Å
85	S	59.3	Low	62.6	Low	39 Å²	39	52.4 Å²	52.4	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.7	-174.4	-64	0	0	0	0	110.5	K81 F82 Y87	K81-S85 WeakPolarHBondContact CA-O 3.49Å; F82-S85 PolarHBondContact N-O 3.19Å; F82-S85 PolarHBondContact O-N 3.14Å; F82-S85 VanDerWaalsContact O-N 3.08Å; S85-Y87 WeakPolarHBondContact CB-OH 3.38Å; S85-Y87 VanDerWaalsContact O-CD2 3.32Å; S85-Y87 WeakPolarHBondContact O-CD2 3.14Å; S85-Y87 WeakPolarHBondContact O-CE2 3.45Å
86	L	66	Low	62.2	Low	64 Å²	64	51.1 Å²	51.1	34%	0.335	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.2	164.5	-79	151	0	0	0	107.5	M56 S80 K81	M56-L86 HydrophobicContact CB-CB 4.05Å; M56-L86 HydrophobicContact CE-CB 4.13Å; M56-L86 PolarHBondContact N-O 3.33Å; S80-L86 CarbonylContact O-C 3.55Å; K81-L86 HydrophobicContact CB-CD2 4.34Å
87	Y	66.8	Low	61.8	Low	57 Å²	57	53.2 Å²	53.2	22%	0.224	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.6	175.4	-64.6	-89.8	0	0	0	108.3	I54 V55 Y79 S80 F82 S85	I54-Y87 CarbonylContact O-C 3.58Å; I54-Y87 WeakPolarHBondContact O-CA 3.47Å; V55-Y87 HydrophobicContact CB-CE1 4.43Å; V55-Y87 HydrophobicContact CG1-CE1 4.4Å; V55-Y87 HydrophobicContact CG2-CD1 3.99Å; V55-Y87 HydrophobicContact CG2-CE1 3.64Å; Y79-Y87 CarbonylContact C-O 3.58Å; Y79-Y87 VanDerWaalsContact CA-O 3.29Å; Y79-Y87 WeakPolarHBondContact CA-O 3.15Å; S80-Y87 PolarHBondContact N-O 2.82Å; S80-Y87 PolarHBondContact O-N 3.41Å; F82-Y87 HydrophobicContact CB-CD2 4.06Å; F82-Y87 HydrophobicContact CB-CE2 3.74Å; S85-Y87 WeakPolarHBondContact CB-OH 3.38Å; S85-Y87 VanDerWaalsContact O-CD2 3.32Å; S85-Y87 WeakPolarHBondContact O-CD2 3.14Å; S85-Y87 WeakPolarHBondContact O-CE2 3.45Å
88	C	71.6	Confident	61.5	Low	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.2	162.5	-163	0	0	0	0	110.2	M52 K53 I54 M56 C64 F78 Y79	M52-C88 HydrophobicContact CE-CB 4.24Å; M52-C88 WeakPolarHBondContact CE-O 3.46Å; K53-C88 CarbonylContact C-O 3.31Å; K53-C88 WeakPolarHBondContact CA-O 3.08Å; I54-C88 PolarHBondContact N-O 2.99Å; I54-C88 PolarHBondContact O-N 2.99Å; M56-C88 HydrophobicContact CG-CB 3.79Å; M56-C88 HydrophobicContact SD-CB 3.68Å; C64-C88 HydrophobicContact CB-CB 3.46Å; C64-C88 VanDerWaalsContact CB-CB 3.46Å; C64-C88 WeakPolarHBondContact CB-SG 3.49Å; C64-C88 WeakPolarHBondContact SG-CB 3.38Å; C64-C88 CovalentContact SG-SG 1.97Å; C64-C88 PolarHBondContact SG-SG 2.93Å; F78-C88 CarbonylContact O-C 3.49Å; F78-C88 WeakPolarHBondContact O-CA 3.08Å; Y79-C88 HydrophobicContact CD1-CB 4.02Å; Y79-C88 HydrophobicContact CE1-CB 4.01Å; Y79-C88 WeakPolarHBondContact CE1-SG 3.1Å
89	A	71.7	Confident	61.1	Low	15 Å²	15	62.5 Å²	62.5	12%	0.124	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.1	178.6	0	0	0	0	0	110	P50 M52 V77 F78 F91	P50-A89 HydrophobicContact CB-CB 3.75Å; P50-A89 HydrophobicContact CG-CB 4.17Å; M52-A89 CarbonylContact O-C 3.56Å; M52-A89 WeakPolarHBondContact O-CA 3.48Å; V77-A89 CarbonylContact C-O 3.58Å; V77-A89 WeakPolarHBondContact CA-O 3.29Å; F78-A89 PolarHBondContact N-O 2.76Å; F78-A89 PolarHBondContact O-N 3.39Å; A89-F91 HydrophobicContact CB-CD2 4.38Å; A89-F91 HydrophobicContact CB-CE2 3.46Å; A89-F91 VanDerWaalsContact CB-CE2 3.46Å; A89-F91 HydrophobicContact CB-CZ 3.88Å; A89-F91 VanDerWaalsContact O-CD2 3.3Å; A89-F91 WeakPolarHBondContact O-CD2 3.05Å; A89-F91 WeakPolarHBondContact O-CE2 3.43Å
90	G	70.4	Confident	60.9	Low	0 Å²	0	61 Å²	61	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.7	177.6	0	0	0	0	0	111.2	P50 V51 M52 C74 T76	P50-G90 CarbonylContact C-O 3.51Å; P50-G90 VanDerWaalsContact C-O 3.31Å; P50-G90 WeakPolarHBondContact CA-O 3.22Å; P50-G90 VanDerWaalsContact CB-O 3.26Å; P50-G90 WeakPolarHBondContact CB-O 3.39Å; V51-G90 PolarHBondContact N-O 2.84Å; M52-G90 PolarHBondContact O-N 2.84Å; C74-G90 WeakPolarHBondContact SG-CA 3.29Å; T76-G90 CarbonylContact O-C 3.44Å; T76-G90 VanDerWaalsContact O-CA 3.27Å; T76-G90 WeakPolarHBondContact O-CA 3.49Å
91	F	69.1	Low	60.8	Low	19 Å²	19	66.3 Å²	66.3	8%	0.083	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.9	-177.7	-62.6	-99.7	0	0	0	111.6	I38 V39 V40 P50 T75 T76 F78 A89	I38-F91 HydrophobicContact CG2-CB 3.8Å; I38-F91 HydrophobicContact CG2-CD1 3.85Å; I38-F91 HydrophobicContact CG2-CD2 4.3Å; I38-F91 HydrophobicContact CG2-CE1 4.48Å; I38-F91 HydrophobicContact CG2-CG 3.73Å; V39-F91 WeakPolarHBondContact O-CE1 3.01Å; V40-F91 HydrophobicContact CG2-CZ 4.49Å; P50-F91 HydrophobicContact CB-CE1 4.14Å; P50-F91 HydrophobicContact CB-CE2 4.3Å; P50-F91 HydrophobicContact CB-CZ 4.04Å; T75-F91 PolarHBondContact N-O 2.94Å; T75-F91 PolarHBondContact OG1-O 3.1Å; T76-F91 PolarHBondContact N-O 3.31Å; T76-F91 PolarHBondContact O-N 2.91Å; F78-F91 HydrophobicContact CB-CE2 3.95Å; F78-F91 AromaticContact CD2-CD2 3.15Å; F78-F91 HydrophobicContact CD2-CD2 3.15Å; F78-F91 AromaticContact CD2-CE2 3.24Å; F78-F91 HydrophobicContact CD2-CE2 3.24Å; F78-F91 HydrophobicContact CD2-CG 4.18Å; F78-F91 HydrophobicContact CD2-CZ 4.34Å; F78-F91 HydrophobicContact CE2-CB 4.48Å; F78-F91 AromaticContact CE2-CD2 3.53Å; F78-F91 HydrophobicContact CE2-CD2 3.53Å; F78-F91 AromaticContact CE2-CE2 3.9Å; F78-F91 HydrophobicContact CE2-CE2 3.9Å; F78-F91 HydrophobicContact CE2-CG 4.15Å; F78-F91 HydrophobicContact CG-CD2 4.13Å; F78-F91 AromaticContact CG-CE2 3.76Å; F78-F91 HydrophobicContact CG-CE2 3.76Å; A89-F91 HydrophobicContact CB-CD2 4.38Å; A89-F91 HydrophobicContact CB-CE2 3.46Å; A89-F91 VanDerWaalsContact CB-CE2 3.46Å; A89-F91 HydrophobicContact CB-CZ 3.88Å; A89-F91 VanDerWaalsContact O-CD2 3.3Å; A89-F91 WeakPolarHBondContact O-CD2 3.05Å; A89-F91 WeakPolarHBondContact O-CE2 3.43Å
92	N	63.9	Low	60.9	Low	68 Å²	68	66.7 Å²	66.7	36%	0.364	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.2	166.2	-63.4	-16.9	0	0	0	109.7	V51 N73	V51-N92 WeakPolarHBondContact CG2-OD1 3.43Å; N73-N92 VanDerWaalsContact C-OD1 3.22Å; N73-N92 WeakPolarHBondContact CB-OD1 2.97Å; N73-N92 WeakPolarHBondContact O-CA 2.9Å; N73-N92 PolarHBondContact O-OD1 3.22Å
93	K	60.8	Low	61	Low	89 Å²	89	61.2 Å²	61.2	39%	0.387	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-69.5	128.7	168.4	169.8	-178.5	172.3	-178.9	0	108.5	Q36 T75	Q36-K93 VanDerWaalsContact CD-CE 3.49Å; Q36-K93 HydrophobicContact CG-CD 4.49Å; Q36-K93 HydrophobicContact CG-CG 4.42Å; T75-K93 HydrophobicContact CG2-CB 4.37Å; T75-K93 WeakPolarHBondContact OG1-CA 3.33Å; T75-K93 WeakPolarHBondContact OG1-CB 3.3Å; T75-K93 PolarHBondContact OG1-N 2.96Å
94	F	58.2	Low	61	Low	29 Å²	29	59.1 Å²	59.1	13%	0.127	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-85.2	131	160.1	-64.6	-79	0	0	0	108.7	W37 V39 R48 E99	W37-F94 HydrophobicContact CB-CB 4.42Å; W37-F94 WeakPolarHBondContact O-CD2 3.07Å; V39-F94 HydrophobicContact CB-CE2 4.34Å; V39-F94 HydrophobicContact CG2-CE2 3.75Å; V39-F94 HydrophobicContact CG2-CZ 4.15Å; R48-F94 VanDerWaalsContact NH1-CZ 3.34Å; F94-E99 HydrophobicContact CD1-CB 3.95Å
95	S	51.1	Low	60.7	Low	68 Å²	68	58 Å²	58	48%	0.476	31%	0.305	S	S	.	.			trans	-89.4	-22.8	-170.8	-52.1	0	0	0	0	112.7	N32 E99	N32-S95 PolarHBondContact OD1-O 2.69Å; S95-E99 PolarHBondContact N-OE2 3.4Å; S95-E99 VanDerWaalsContact N-OE2 3.16Å
96	N	54.3	Low	60.3	Low	52 Å²	52	60.6 Å²	60.6	28%	0.278	31%	0.312	S	S	.	.	S	Bend	trans	-145.4	155.6	-169.5	58	50.9	0	0	0	111.2	E98 E99 T100	N96-E98 PolarHBondContact O-N 3.46Å; N96-E98 PolarHBondContact OD1-N 3.28Å; N96-E99 PolarHBondContact ND2-OE1 3.16Å; N96-E99 WeakPolarHBondContact OD1-CB 3.36Å; N96-E99 WeakPolarHBondContact OD1-CG 3.38Å; N96-E99 PolarHBondContact OD1-N 3.35Å; N96-T100 PolarHBondContact O-N 3.32Å; N96-T100 PolarHBondContact O-OG1 2.94Å
97	V	52.8	Low	59.6	Low	45 Å²	45	58.8 Å²	58.8	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-23	178.2	178.6	0	0	0	0	111.6	T100 R101	V97-T100 CarbonylContact O-C 3.53Å; V97-T100 WeakPolarHBondContact O-CA 3.45Å; V97-T100 VanDerWaalsContact O-CB 3.28Å; V97-T100 WeakPolarHBondContact O-CB 3.19Å; V97-T100 PolarHBondContact O-N 2.85Å; V97-R101 WeakPolarHBondContact O-CG 2.95Å; V97-R101 PolarHBondContact O-N 2.8Å
98	E	57.6	Low	58.8	Low	131 Å²	131	59 Å²	59	61%	0.612	31%	0.306	S	S	*	.	H	α-helix	trans	-70.6	-43.2	-179.5	-64.2	-172.7	161	0	0	112.3	N96 T100 R101 N102	N96-E98 PolarHBondContact O-N 3.46Å; N96-E98 PolarHBondContact OD1-N 3.28Å; E98-T100 PolarHBondContact O-N 2.97Å; E98-R101 WeakPolarHBondContact O-CB 3.37Å; E98-R101 PolarHBondContact O-N 3.47Å; E98-R101 VanDerWaalsContact O-N 3.09Å; E98-N102 PolarHBondContact O-N 2.03Å; E98-N102 VanDerWaalsContact O-N 3.1Å; E98-N102 PolarHBondContact O-ND2 3.15Å
99	E	58.1	Low	57.9	Low	74 Å²	74	61.7 Å²	61.7	35%	0.346	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-39	167.6	-78.1	163.2	-154	0	0	110	F94 S95 N96 N102 I103	F94-E99 HydrophobicContact CD1-CB 3.95Å; S95-E99 PolarHBondContact N-OE2 3.4Å; S95-E99 VanDerWaalsContact N-OE2 3.16Å; N96-E99 PolarHBondContact ND2-OE1 3.16Å; N96-E99 WeakPolarHBondContact OD1-CB 3.36Å; N96-E99 WeakPolarHBondContact OD1-CG 3.38Å; N96-E99 PolarHBondContact OD1-N 3.35Å; E99-N102 PolarHBondContact O-N 3.36Å; E99-I103 WeakPolarHBondContact O-CG1 3.43Å; E99-I103 PolarHBondContact O-N 2.88Å
100	T	58.1	Low	57.1	Low	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-35.2	176.4	-52.5	0	0	0	0	113.3	W37 N96 V97 E98 N102 I103 L110	W37-T100 HydrophobicContact CB-CG2 4.25Å; W37-T100 WeakPolarHBondContact CB-OG1 3.22Å; W37-T100 HydrophobicContact CD2-CG2 4.07Å; W37-T100 HydrophobicContact CG-CG2 3.81Å; W37-T100 VanDerWaalsContact CG-OG1 3.31Å; N96-T100 PolarHBondContact O-N 3.32Å; N96-T100 PolarHBondContact O-OG1 2.94Å; V97-T100 CarbonylContact O-C 3.53Å; V97-T100 WeakPolarHBondContact O-CA 3.45Å; V97-T100 VanDerWaalsContact O-CB 3.28Å; V97-T100 WeakPolarHBondContact O-CB 3.19Å; V97-T100 PolarHBondContact O-N 2.85Å; E98-T100 PolarHBondContact O-N 2.97Å; T100-N102 VanDerWaalsContact C-N 3.34Å; T100-I103 HydrophobicContact CG2-CD1 3.96Å; T100-I103 WeakPolarHBondContact O-CB 3.41Å; T100-I103 PolarHBondContact O-N 3.48Å; T100-L110 HydrophobicContact CG2-CD1 3.34Å; T100-L110 HydrophobicContact CG2-CD2 4.17Å; T100-L110 HydrophobicContact CG2-CG 4.39Å
101	R	58.1	Low	56.7	Low	162 Å²	162	61.7 Å²	61.7	61%	0.611	32%	0.316	S	S	*	.	H	α-helix	trans	-68.5	-34.7	176.2	-73.7	173.5	-177.8	177	1.3	112	L26 V97 E98 I103	L26-R101 HydrophobicContact CD2-CG 3.99Å; V97-R101 WeakPolarHBondContact O-CG 2.95Å; V97-R101 PolarHBondContact O-N 2.8Å; E98-R101 WeakPolarHBondContact O-CB 3.37Å; E98-R101 PolarHBondContact O-N 3.47Å; E98-R101 VanDerWaalsContact O-N 3.09Å; R101-I103 PolarHBondContact O-N 2.73Å
102	N	60.1	Low	56	Low	138 Å²	138	61 Å²	61	74%	0.738	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.4	177.8	-68.2	-26.4	0	0	0	113.4	E98 E99 T100 P104	E98-N102 PolarHBondContact O-N 2.03Å; E98-N102 VanDerWaalsContact O-N 3.1Å; E98-N102 PolarHBondContact O-ND2 3.15Å; E99-N102 PolarHBondContact O-N 3.36Å; T100-N102 VanDerWaalsContact C-N 3.34Å; N102-P104 WeakPolarHBondContact O-CD 3.03Å
103	I	57.1	Low	55.7	Low	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.299	C	S	.	.	S	Bend	trans	-64.4	129	169.3	-62	165	0	0	0	107.6	K22 V39 E99 T100 R101 Y107 L110	K22-I103 PolarHBondContact NZ-O 3.42Å; V39-I103 HydrophobicContact CG2-CD1 3.38Å; V39-I103 HydrophobicContact CG2-CG1 4.1Å; V39-I103 HydrophobicContact CG2-CG2 4.14Å; E99-I103 WeakPolarHBondContact O-CG1 3.43Å; E99-I103 PolarHBondContact O-N 2.88Å; T100-I103 HydrophobicContact CG2-CD1 3.96Å; T100-I103 WeakPolarHBondContact O-CB 3.41Å; T100-I103 PolarHBondContact O-N 3.48Å; R101-I103 PolarHBondContact O-N 2.73Å; I103-Y107 HydrophobicContact CG2-CD1 4.33Å; I103-Y107 HydrophobicContact CG2-CD2 3.23Å; I103-Y107 HydrophobicContact CG2-CE2 3.91Å; I103-Y107 HydrophobicContact CG2-CG 3.45Å; I103-Y107 VanDerWaalsContact CG2-CG 3.45Å; I103-L110 HydrophobicContact CD1-CD2 3.68Å
104	P	56.6	Low	55.4	Low	56 Å²	56	54 Å²	54	36%	0.364	28%	0.281	S	S	.	.			trans	-51.6	152.2	175	-31.2	35.2	0	0	0	114.2	K22 N102 E106 Y107	K22-P104 PolarHBondContact NZ-O 2.75Å; N102-P104 WeakPolarHBondContact O-CD 3.03Å; P104-E106 HydrophobicContact CB-CG 3.82Å; P104-E106 VanDerWaalsContact CB-OE1 3.3Å; P104-E106 WeakPolarHBondContact CB-OE1 3.17Å; P104-E106 PolarHBondContact O-N 3.37Å; P104-Y107 HydrophobicContact CB-CD2 3.83Å; P104-Y107 HydrophobicContact CB-CE2 3.78Å; P104-Y107 VanDerWaalsContact CD-CE2 3.46Å; P104-Y107 HydrophobicContact CG-CD2 4.2Å; P104-Y107 HydrophobicContact CG-CE2 3.72Å; P104-Y107 WeakPolarHBondContact O-CD2 3.46Å; P104-Y107 PolarHBondContact O-N 3.13Å
105	S	53.8	Low	55.2	Low	108 Å²	108	57.7 Å²	57.7	76%	0.755	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.3	-179.3	53.3	0	0	0	0	113.9	Y107	S105-Y107 PolarHBondContact O-N 2.9Å
106	E	49.7	Very low	55.1	Low	93 Å²	93	57.8 Å²	57.8	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.4	176	70.9	-152.3	174.7	0	0	113.6	N42 P104 N108	N42-E106 WeakPolarHBondContact CB-O 2.88Å; P104-E106 HydrophobicContact CB-CG 3.82Å; P104-E106 VanDerWaalsContact CB-OE1 3.3Å; P104-E106 WeakPolarHBondContact CB-OE1 3.17Å; P104-E106 PolarHBondContact O-N 3.37Å; E106-N108 PolarHBondContact O-N 2.94Å
107	Y	51.8	Low	54.7	Low	25 Å²	25	61.4 Å²	61.4	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.3	171.4	-65.3	-88.1	0	0	0	110	V39 N42 R48 I103 P104 S105	V39-Y107 HydrophobicContact CG1-CD1 3.09Å; V39-Y107 HydrophobicContact CG1-CE1 3.44Å; V39-Y107 VanDerWaalsContact CG1-CE1 3.44Å; V39-Y107 HydrophobicContact CG1-CG 3.94Å; N42-Y107 HydrophobicContact CB-CD1 4.46Å; R48-Y107 HydrophobicContact CG-CE1 4.31Å; I103-Y107 HydrophobicContact CG2-CD1 4.33Å; I103-Y107 HydrophobicContact CG2-CD2 3.23Å; I103-Y107 HydrophobicContact CG2-CE2 3.91Å; I103-Y107 HydrophobicContact CG2-CG 3.45Å; I103-Y107 VanDerWaalsContact CG2-CG 3.45Å; P104-Y107 HydrophobicContact CB-CD2 3.83Å; P104-Y107 HydrophobicContact CB-CE2 3.78Å; P104-Y107 VanDerWaalsContact CD-CE2 3.46Å; P104-Y107 HydrophobicContact CG-CD2 4.2Å; P104-Y107 HydrophobicContact CG-CE2 3.72Å; P104-Y107 WeakPolarHBondContact O-CD2 3.46Å; P104-Y107 PolarHBondContact O-N 3.13Å; S105-Y107 PolarHBondContact O-N 2.9Å
108	N	49.1	Very low	54.4	Low	61 Å²	61	61.7 Å²	61.7	33%	0.326	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-28.3	-169.1	-67.6	-39.5	0	0	0	113.2	P21 K22 R41 D43 E106	P21-N108 WeakPolarHBondContact CA-O 3.46Å; K22-N108 PolarHBondContact N-O 3.42Å; R41-N108 PolarHBondContact O-N 3.41Å; D43-N108 WeakPolarHBondContact CB-ND2 3.4Å; D43-N108 PolarHBondContact N-ND2 2.86Å; D43-N108 PolarHBondContact OD1-ND2 2.57Å; E106-N108 PolarHBondContact O-N 2.94Å
109	E	53.6	Low	53.7	Low	58 Å²	58	57.2 Å²	57.2	27%	0.271	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.8	-172.6	-65.2	179.1	-172.5	0	0	111.2	V40 R41 Y111	V40-E109 PolarHBondContact N-O 3.1Å; R41-E109 HydrophobicContact CB-CB 4.5Å; E109-Y111 HydrophobicContact CB-CE2 3.95Å; E109-Y111 PolarHBondContact OE2-OH 3.4Å; E109-Y111 VanDerWaalsContact OE2-OH 3.12Å
110	L	55.8	Low	53	Low	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.4	167.1	-66.1	176.4	0	0	0	107.9	L20 K22 A25 W37 I38 V39 T100 I103	L20-L110 WeakPolarHBondContact CA-O 3.4Å; L20-L110 PolarHBondContact N-O 3.37Å; L20-L110 PolarHBondContact O-N 3.34Å; K22-L110 HydrophobicContact CB-CD1 4.25Å; K22-L110 HydrophobicContact CB-CG 4.42Å; K22-L110 HydrophobicContact CG-CD1 3.85Å; K22-L110 HydrophobicContact CG-CG 4.43Å; A25-L110 HydrophobicContact CB-CB 3.9Å; A25-L110 HydrophobicContact CB-CD1 3.75Å; A25-L110 HydrophobicContact CB-CG 4.4Å; W37-L110 HydrophobicContact CE3-CB 3.54Å; W37-L110 HydrophobicContact CE3-CD1 4.27Å; W37-L110 HydrophobicContact CE3-CG 4.46Å; W37-L110 HydrophobicContact CZ3-CB 3.78Å; I38-L110 CarbonylContact O-C 3.57Å; I38-L110 VanDerWaalsContact O-CA 3.29Å; I38-L110 WeakPolarHBondContact O-CA 3.3Å; V39-L110 HydrophobicContact CG2-CD2 3.81Å; T100-L110 HydrophobicContact CG2-CD1 3.34Å; T100-L110 HydrophobicContact CG2-CD2 4.17Å; T100-L110 HydrophobicContact CG2-CG 4.39Å; I103-L110 HydrophobicContact CD1-CD2 3.68Å
111	Y	60.4	Low	52.3	Low	15 Å²	15	65 Å²	65	6%	0.059	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.1	176.9	-73.1	-109.2	0	0	0	107.9	V10 C17 I18 P19 W37 I38 V40 F78 E109	V10-Y111 HydrophobicContact CG2-CE1 3.87Å; C17-Y111 HydrophobicContact CB-CD1 4.28Å; I18-Y111 WeakPolarHBondContact O-CA 3.45Å; P19-Y111 HydrophobicContact CB-CD1 4.07Å; P19-Y111 HydrophobicContact CB-CE1 3.59Å; P19-Y111 HydrophobicContact CB-CE2 4.22Å; P19-Y111 HydrophobicContact CG-CE1 4.2Å; W37-Y111 CarbonylContact C-O 3.6Å; W37-Y111 WeakPolarHBondContact CA-O 3.36Å; I38-Y111 PolarHBondContact N-O 3.18Å; I38-Y111 PolarHBondContact O-N 3.09Å; V40-Y111 HydrophobicContact CB-CD2 3.68Å; V40-Y111 HydrophobicContact CB-CE2 3.3Å; V40-Y111 HydrophobicContact CG1-CD2 4.47Å; V40-Y111 HydrophobicContact CG1-CE2 3.73Å; V40-Y111 HydrophobicContact CG2-CD2 3.19Å; V40-Y111 HydrophobicContact CG2-CE2 3.32Å; V40-Y111 HydrophobicContact CG2-CG 4.03Å; F78-Y111 AromaticContact CE1-CD1 3.75Å; F78-Y111 HydrophobicContact CE1-CD1 3.75Å; F78-Y111 HydrophobicContact CE1-CD2 4.33Å; F78-Y111 HydrophobicContact CE1-CE1 4.24Å; F78-Y111 AromaticContact CE1-CG 3.76Å; F78-Y111 HydrophobicContact CE1-CG 3.76Å; F78-Y111 HydrophobicContact CZ-CG 4.29Å; E109-Y111 HydrophobicContact CB-CE2 3.95Å; E109-Y111 PolarHBondContact OE2-OH 3.4Å; E109-Y111 VanDerWaalsContact OE2-OH 3.12Å
112	C	56.1	Low	51.5	Low	5 Å²	5	58 Å²	58	3%	0.034	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	111.7	166.5	-179.4	0	0	0	0	107.7	C17 I18 L20 C30 Q36 W37	C17-C112 WeakPolarHBondContact CA-O 3.37Å; I18-C112 PolarHBondContact N-O 2.73Å; I18-C112 PolarHBondContact O-N 3.23Å; I18-C112 VanDerWaalsContact O-N 3.08Å; L20-C112 HydrophobicContact CD1-CB 4.14Å; C30-C112 HydrophobicContact CB-CB 3.91Å; C30-C112 WeakPolarHBondContact CB-SG 3.3Å; C30-C112 VanDerWaalsContact SG-CA 3.54Å; C30-C112 WeakPolarHBondContact SG-CB 3.38Å; C30-C112 CovalentContact SG-SG 2.03Å; C30-C112 PolarHBondContact SG-SG 3.42Å; Q36-C112 WeakPolarHBondContact O-CA 3.05Å; W37-C112 HydrophobicContact CE3-CB 4.32Å; W37-C112 HydrophobicContact CH2-CB 4.2Å; W37-C112 HydrophobicContact CZ3-CB 3.86Å
113	C	56.8	Low	50.6	Low	9 Å²	9	58.8 Å²	58.8	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.8	-179	-71	0	0	0	0	111	C17 G35 Q36 I38	C17-C113 HydrophobicContact CB-CB 4.08Å; C17-C113 WeakPolarHBondContact CB-SG 3.46Å; C17-C113 WeakPolarHBondContact SG-CB 3.21Å; C17-C113 CovalentContact SG-SG 2.03Å; C17-C113 PolarHBondContact SG-SG 3.46Å; G35-C113 CarbonylContact C-O 3.47Å; G35-C113 WeakPolarHBondContact CA-O 3.35Å; Q36-C113 PolarHBondContact N-O 3.32Å; Q36-C113 PolarHBondContact O-N 2.88Å; I38-C113 HydrophobicContact CD1-CB 4.13Å; I38-C113 WeakPolarHBondContact CD1-SG 3.19Å
114	C	55	Low	50.3	Low	1 Å²	1	61.5 Å²	61.5	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.1	-173.9	-67.3	0	0	0	0	115.1	C15 Q16 F34 C116 C122	C15-C114 WeakPolarHBondContact CB-O 3.32Å; C15-C114 PolarHBondContact SG-O 2.91Å; Q16-C114 PolarHBondContact O-N 2.97Å; Q16-C114 VanDerWaalsContact O-N 3.13Å; F34-C114 CarbonylContact O-C 3.39Å; F34-C114 WeakPolarHBondContact O-CA 3.32Å; F34-C114 WeakPolarHBondContact O-CB 3.28Å; F34-C114 PolarHBondContact O-SG 3.19Å; C114-C116 PolarHBondContact O-N 3.32Å; C114-C122 HydrophobicContact CB-CB 3.71Å; C114-C122 WeakPolarHBondContact CB-SG 3.47Å; C114-C122 WeakPolarHBondContact SG-CA 3.44Å; C114-C122 WeakPolarHBondContact SG-CB 3.14Å; C114-C122 CovalentContact SG-SG 2Å; C114-C122 PolarHBondContact SG-SG 3.41Å
115	K	52.9	Low	49.9	Very low	106 Å²	106	61.7 Å²	61.7	46%	0.461	35%	0.348	S	S	.	.			trans	-57.3	135.5	172.4	-72.5	178.3	-175.9	162.4	0	109.3	F34 T117 L118	F34-K115 PolarHBondContact O-N 3.35Å; K115-T117 PolarHBondContact O-N 2.87Å; K115-L118 PolarHBondContact O-N 2.74Å
116	C	50.3	Low	49.7	Very low	70 Å²	70	59.2 Å²	59.2	47%	0.473	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-51.1	-29.4	-172.5	-43	0	0	0	0	114.4	D14 C15 C114 L118	D14-C116 HydrophobicContact CB-CB 4.47Å; D14-C116 WeakPolarHBondContact CB-SG 3.4Å; D14-C116 PolarHBondContact O-SG 3.49Å; C15-C116 PolarHBondContact SG-SG 3.41Å; C114-C116 PolarHBondContact O-N 3.32Å; C116-L118 VanDerWaalsContact C-N 3.3Å; C116-L118 PolarHBondContact O-N 3.33Å
117	T	45.9	Very low	49.7	Very low	128 Å²	128	57.2 Å²	57.2	79%	0.785	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-77.8	-9.5	-179.6	39.6	0	0	0	0	114.5	K115	K115-T117 PolarHBondContact O-N 2.87Å
118	L	45.9	Very low	49.6	Very low	50 Å²	50	59.2 Å²	59.2	26%	0.262	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-129.8	15.6	-171.2	-68.4	166.9	0	0	0	113.1	F34 K115 C116 V120 N121	F34-L118 HydrophobicContact CD1-CB 4.28Å; F34-L118 HydrophobicContact CD1-CD1 3.93Å; F34-L118 HydrophobicContact CE1-CD1 4.04Å; F34-L118 HydrophobicContact CE1-CD2 4.27Å; K115-L118 PolarHBondContact O-N 2.74Å; C116-L118 VanDerWaalsContact C-N 3.3Å; C116-L118 PolarHBondContact O-N 3.33Å; L118-V120 PolarHBondContact O-N 3.44Å; L118-N121 WeakPolarHBondContact O-CA 3.08Å; L118-N121 PolarHBondContact O-N 3.26Å
119	A	43.4	Very low	49.6	Very low	37 Å²	37	59.1 Å²	59.1	31%	0.306	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.7	-175	0	0	0	0	0	114.2	N121 C122	A119-N121 VanDerWaalsContact C-N 3.31Å; A119-C122 WeakPolarHBondContact O-CB 3.4Å
120	V	43.6	Very low	49.3	Very low	141 Å²	141	59.1 Å²	59.1	86%	0.855	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-72.7	-22.6	176	-170.9	0	0	0	0	112.6	L118	L118-V120 PolarHBondContact O-N 3.44Å
121	N	42.4	Very low	48.8	Very low	97 Å²	97	63.7 Å²	63.7	52%	0.519	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-105	18.1	-178.2	-61.6	-25.2	0	0	0	112.6	F34 L118 A119 L123	F34-N121 HydrophobicContact CD1-CB 4.26Å; F34-N121 HydrophobicContact CE1-CB 4.18Å; L118-N121 WeakPolarHBondContact O-CA 3.08Å; L118-N121 PolarHBondContact O-N 3.26Å; A119-N121 VanDerWaalsContact C-N 3.31Å; N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3.1Å
122	C	40.5	Very low	47.9	Very low	14 Å²	14	67.8 Å²	67.8	10%	0.095	39%	0.389	C	S	.	.			trans	-80.5	-4.5	-171.5	-166.2	0	0	0	0	114	I18 C114 A119	I18-C122 HydrophobicContact CD1-CB 4.38Å; C114-C122 HydrophobicContact CB-CB 3.71Å; C114-C122 WeakPolarHBondContact CB-SG 3.47Å; C114-C122 WeakPolarHBondContact SG-CA 3.44Å; C114-C122 WeakPolarHBondContact SG-CB 3.14Å; C114-C122 CovalentContact SG-SG 2Å; C114-C122 PolarHBondContact SG-SG 3.41Å; A119-C122 WeakPolarHBondContact O-CB 3.4Å
123	L	41.8	Very low	47.1	Very low	155 Å²	155	73.5 Å²	73.5	81%	0.812	42%	0.421	S	S	*	.			trans	-141.9	0	178.4	-76	173.6	0	0	0	111.3	I18 L20 L28 N121	I18-L123 HydrophobicContact CD1-CD1 3.57Å; I18-L123 HydrophobicContact CD1-CD2 4.16Å; I18-L123 HydrophobicContact CD1-CG 3.58Å; L20-L123 HydrophobicContact CD2-CD2 4.45Å; L28-L123 HydrophobicContact CD1-CD2 4.15Å; N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3.1Å

Retrieved 123 of 123 residues in 38.8 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).