A0A077ZLJ9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLJ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 aa.

						>A0A077ZLJ9_TRITR|A0A077ZLJ9
MTNGVPLGTAKDVVYRVTSSDPSKTLELDDGTVLKGVVRLENIEGAVFGEKGYLLGDRCAWVKDIVPIPLTPEILEKNGWKKEINGGVGMGNEDDMMLGLILGVLIFLTIVVSAIAIKIGV
					

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	22.8	Very low	40.7	Very low	242 Å²	242	108.2 Å²	108.2	100%	1.192	64%	0.639	S	S	*	*				0	98.3	0	-70.2	-164.1	-90.3	0	0	109.8
2	T	33.2	Very low	41.4	Very low	100 Å²	100	107.2 Å²	107.2	61%	0.613	63%	0.629	S	S	*	*			trans	-76.2	146.3	158.6	55.1	0	0	0	0	107.3	G4 L7	T2-G4 PolarHBondContact O-N 3.19Å; T2-L7 HydrophobicContact CG2-CD1 4.12Å
3	N	36.7	Very low	42.2	Very low	142 Å²	142	100.4 Å²	100.4	76%	0.759	59%	0.589	S	S	*	*			trans	-73.5	29.5	-176.5	59.8	-21.8	0	0	0	113.6	V5	N3-V5 PolarHBondContact O-N 3.23Å; N3-V5 VanDerWaalsContact OD1-CG2 3.29Å; N3-V5 WeakPolarHBondContact OD1-CG2 3.19Å
4	G	30.9	Very low	43.1	Very low	67 Å²	67	98.1 Å²	98.1	69%	0.691	58%	0.576	S	S	*	*	S	Bend	trans	71.8	7.6	-177.2	0	0	0	0	0	114.9	T2 P6	T2-G4 PolarHBondContact O-N 3.19Å; G4-P6 WeakPolarHBondContact O-CD 3.48Å
5	V	35.2	Very low	44.2	Very low	64 Å²	64	95.5 Å²	95.5	39%	0.388	55%	0.553	S	S	.	*			trans	-79.2	122.3	176.3	179.5	0	0	0	0	109.1	N3 L7 L54	N3-V5 PolarHBondContact O-N 3.23Å; N3-V5 VanDerWaalsContact OD1-CG2 3.29Å; N3-V5 WeakPolarHBondContact OD1-CG2 3.19Å; V5-L7 PolarHBondContact O-N 3.47Å; V5-L54 HydrophobicContact CG1-CD2 4.04Å
6	P	35.4	Very low	45.1	Very low	110 Å²	110	97.6 Å²	97.6	71%	0.714	55%	0.55	S	S	*	.			trans	-56.8	124	174.9	-21.5	31.8	0	0	0	110.4	G4	G4-P6 WeakPolarHBondContact O-CD 3.48Å
7	L	45.6	Very low	46.4	Very low	128 Å²	128	96.7 Å²	96.7	67%	0.67	55%	0.546	S	S	*	.			trans	-90.8	110.4	173.5	-69.2	168.1	0	0	0	108	T2 V5	T2-L7 HydrophobicContact CG2-CD1 4.12Å; V5-L7 PolarHBondContact O-N 3.47Å
8	G	48.4	Very low	47.6	Very low	49 Å²	49	94.9 Å²	94.9	51%	0.505	54%	0.538	S	S	.	.			trans	-171.6	163.7	177.8	0	0	0	0	0	112.1	L54	G8-L54 WeakPolarHBondContact O-CD1 3.48Å
9	T	53.2	Low	48.5	Very low	95 Å²	95	93.1 Å²	93.1	58%	0.583	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-80.3	148.7	165.8	46.3	0	0	0	0	109.3	Y15 L40	T9-Y15 VanDerWaalsContact CB-CE2 3.49Å; T9-Y15 HydrophobicContact CG2-CD2 3.69Å; T9-Y15 HydrophobicContact CG2-CE2 3.6Å; T9-Y15 HydrophobicContact CG2-CG 4.38Å; T9-L40 HydrophobicContact CG2-CD1 3.92Å
10	A	54.5	Low	49.4	Very low	19 Å²	19	91.8 Å²	91.8	16%	0.157	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-65.9	141.1	169.1	0	0	0	0	0	109	D12 V13 Y15	A10-D12 PolarHBondContact O-N 2.97Å; A10-V13 HydrophobicContact CB-CB 4Å; A10-V13 HydrophobicContact CB-CG2 3.55Å; A10-V13 PolarHBondContact O-N 2.85Å; A10-Y15 WeakPolarHBondContact CB-OH 3.38Å; A10-Y15 PolarHBondContact N-OH 2.71Å
11	K	52.6	Low	50.3	Low	174 Å²	174	90 Å²	90	76%	0.757	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	138.1	172.3	-164.2	-170.4	170.6	-174.5	0	108.4	V13	K11-V13 PolarHBondContact O-N 3.02Å
12	D	48.7	Very low	52.7	Low	96 Å²	96	83 Å²	83	51%	0.513	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	18.7	176.7	-48.8	-47.5	0	0	0	114.6	A10 F48	A10-D12 PolarHBondContact O-N 2.97Å; D12-F48 HydrophobicContact CB-CB 3.58Å; D12-F48 HydrophobicContact CB-CG 4.39Å; D12-F48 WeakPolarHBondContact O-CB 3.37Å; D12-F48 WeakPolarHBondContact O-CD2 3.48Å
13	V	51.3	Low	54.6	Low	19 Å²	19	82.5 Å²	82.5	12%	0.115	49%	0.491	C	S	.	.			trans	-103.8	131.6	171.6	177.9	0	0	0	0	110.3	A10 K11 Y15	A10-V13 HydrophobicContact CB-CB 4Å; A10-V13 HydrophobicContact CB-CG2 3.55Å; A10-V13 PolarHBondContact O-N 2.85Å; K11-V13 PolarHBondContact O-N 3.02Å; V13-Y15 HydrophobicContact CB-CD2 4.38Å; V13-Y15 HydrophobicContact CB-CE2 3.61Å; V13-Y15 HydrophobicContact CG1-CD2 4.08Å; V13-Y15 HydrophobicContact CG1-CE1 4.06Å; V13-Y15 HydrophobicContact CG1-CE2 3.53Å; V13-Y15 VanDerWaalsContact O-CD2 3.27Å; V13-Y15 WeakPolarHBondContact O-CD2 3.42Å; V13-Y15 WeakPolarHBondContact O-CE2 3.07Å
14	V	55.1	Low	56.4	Low	68 Å²	68	80.8 Å²	80.8	41%	0.412	48%	0.476	S	S	.	.			trans	-88.6	127.2	174	-175.9	0	0	0	0	109.5	I43 N78	V14-I43 HydrophobicContact CG1-CD1 4.11Å; V14-N78 WeakPolarHBondContact CG2-OD1 3.36Å
15	Y	59.7	Low	58.4	Low	59 Å²	59	82 Å²	82	23%	0.231	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.7	178.5	-64.3	-91.4	0	0	0	110.5	T9 A10 V13 L40 E41 N42	T9-Y15 VanDerWaalsContact CB-CE2 3.49Å; T9-Y15 HydrophobicContact CG2-CD2 3.69Å; T9-Y15 HydrophobicContact CG2-CE2 3.6Å; T9-Y15 HydrophobicContact CG2-CG 4.38Å; A10-Y15 WeakPolarHBondContact CB-OH 3.38Å; A10-Y15 PolarHBondContact N-OH 2.71Å; V13-Y15 HydrophobicContact CB-CD2 4.38Å; V13-Y15 HydrophobicContact CB-CE2 3.61Å; V13-Y15 HydrophobicContact CG1-CD2 4.08Å; V13-Y15 HydrophobicContact CG1-CE1 4.06Å; V13-Y15 HydrophobicContact CG1-CE2 3.53Å; V13-Y15 VanDerWaalsContact O-CD2 3.27Å; V13-Y15 WeakPolarHBondContact O-CD2 3.42Å; V13-Y15 WeakPolarHBondContact O-CE2 3.07Å; Y15-L40 HydrophobicContact CD1-CB 4.05Å; Y15-L40 HydrophobicContact CG-CB 4.33Å; Y15-L40 HydrophobicContact CG-CD1 4.37Å; Y15-E41 WeakPolarHBondContact CA-O 3.44Å; Y15-N42 HydrophobicContact CD1-CB 4.45Å; Y15-N42 HydrophobicContact CE1-CB 4.37Å
16	R	59	Low	60.1	Low	130 Å²	130	81.7 Å²	81.7	49%	0.491	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.3	167.2	176.5	173.4	67.6	-167.9	1	109.3	T18 L40 E41 I43	R16-T18 PolarHBondContact O-N 3.17Å; R16-L40 CarbonylContact O-C 3.55Å; R16-L40 WeakPolarHBondContact O-CA 3.34Å; R16-E41 IonicContact CZ-OE2 3.68Å; R16-E41 PolarHBondContact N-O 3.02Å; R16-E41 IonicContact NE-OE2 3.82Å; R16-E41 IonicContact NH2-OE2 2.73Å; R16-E41 PolarHBondContact NH2-OE2 3.46Å; R16-E41 PolarHBondContact O-N 3.32Å; R16-I43 HydrophobicContact CB-CD1 3.63Å; R16-I43 HydrophobicContact CB-CG1 3.45Å; R16-I43 VanDerWaalsContact CB-CG1 3.45Å
17	V	66.2	Low	62.1	Low	82 Å²	82	83.1 Å²	83.1	50%	0.497	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	118.1	166.6	-179.5	0	0	0	0	108.3	V38 R39 L40	V17-V38 HydrophobicContact CG1-CB 4.18Å; V17-V38 HydrophobicContact CG1-CG1 4.27Å; V17-R39 CarbonylContact C-O 3.53Å; V17-R39 WeakPolarHBondContact CA-O 3.29Å; V17-L40 HydrophobicContact CB-CD2 4.39Å; V17-L40 HydrophobicContact CG2-CD2 3.65Å
18	T	68	Low	63.6	Low	64 Å²	64	80 Å²	80	39%	0.393	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-27.3	177.8	51.3	0	0	0	0	112.7	R16 R39 E41	R16-T18 PolarHBondContact O-N 3.17Å; T18-R39 PolarHBondContact N-O 3.41Å; T18-R39 WeakPolarHBondContact OG1-CG 3.28Å; T18-R39 PolarHBondContact OG1-O 3.35Å; T18-E41 HydrophobicContact CG2-CB 3.44Å; T18-E41 VanDerWaalsContact CG2-CB 3.44Å; T18-E41 HydrophobicContact CG2-CG 4.39Å; T18-E41 VanDerWaalsContact CG2-OE2 3.28Å; T18-E41 WeakPolarHBondContact CG2-OE2 3.36Å
19	S	65	Low	65.1	Low	61 Å²	61	86 Å²	86	43%	0.427	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	157.7	170.4	63.8	0	0	0	0	111	V38 R39	S19-V38 CarbonylContact O-C 3.57Å; S19-V38 WeakPolarHBondContact O-CA 3.3Å; S19-R39 PolarHBondContact O-N 2.73Å; S19-R39 VanDerWaalsContact OG-CB 3.27Å; S19-R39 WeakPolarHBondContact OG-CB 3.49Å
20	S	66.9	Low	66.5	Low	67 Å²	67	86.8 Å²	86.8	47%	0.469	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.4	172.2	62	0	0	0	0	109.8	V37	S20-V37 CarbonylContact C-O 3.56Å; S20-V37 VanDerWaalsContact CA-O 3.3Å; S20-V37 WeakPolarHBondContact CA-O 3.27Å
21	D	69	Low	67.7	Low	54 Å²	54	88 Å²	88	29%	0.289	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	101.1	172.3	-177.7	-9.9	0	0	0	108.6	S23 K24 G36 V37	D21-S23 PolarHBondContact O-N 3.14Å; D21-S23 VanDerWaalsContact OD1-CB 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.49Å; D21-S23 PolarHBondContact OD1-N 3.29Å; D21-S23 PolarHBondContact OD1-OG 3.45Å; D21-K24 HydrophobicContact CB-CG 4.01Å; D21-K24 WeakPolarHBondContact OD2-CE 3.39Å; D21-K24 WeakPolarHBondContact OD2-CG 3.36Å; D21-G36 CarbonylContact O-C 3.55Å; D21-G36 VanDerWaalsContact O-CA 3.29Å; D21-G36 WeakPolarHBondContact O-CA 3.42Å; D21-V37 HydrophobicContact CB-CG1 4.12Å; D21-V37 PolarHBondContact N-O 2.96Å; D21-V37 PolarHBondContact O-N 2.85Å
22	P	72.2	Confident	68.9	Low	96 Å²	96	81.5 Å²	81.5	62%	0.623	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	-14.3	-178.4	30.9	-35.1	0	0	0	113	K24	P22-K24 VanDerWaalsContact C-N 3.28Å; P22-K24 PolarHBondContact O-N 2.98Å
23	S	74.4	Confident	70	Confident	89 Å²	89	80.3 Å²	80.3	62%	0.622	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	-16.4	-177.4	75.4	0	0	0	0	113.2	D21	D21-S23 PolarHBondContact O-N 3.14Å; D21-S23 VanDerWaalsContact OD1-CB 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.49Å; D21-S23 PolarHBondContact OD1-N 3.29Å; D21-S23 PolarHBondContact OD1-OG 3.45Å
24	K	72.7	Confident	71	Confident	105 Å²	105	80.3 Å²	80.3	46%	0.457	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.6	-179.4	-63.3	-68.2	-178.9	-171.9	0	110.2	D21 P22 G36 V37 W61	D21-K24 HydrophobicContact CB-CG 4.01Å; D21-K24 WeakPolarHBondContact OD2-CE 3.39Å; D21-K24 WeakPolarHBondContact OD2-CG 3.36Å; P22-K24 VanDerWaalsContact C-N 3.28Å; P22-K24 PolarHBondContact O-N 2.98Å; K24-G36 PolarHBondContact O-N 3.4Å; K24-V37 HydrophobicContact CB-CB 4.31Å; K24-V37 HydrophobicContact CB-CG1 4.09Å; K24-V37 HydrophobicContact CG-CG1 3.93Å; K24-W61 VanDerWaalsContact C-CH2 3.44Å; K24-W61 VanDerWaalsContact C-CZ3 3.48Å; K24-W61 HydrophobicContact CB-CH2 3.4Å; K24-W61 VanDerWaalsContact CB-CH2 3.4Å; K24-W61 HydrophobicContact CB-CZ2 4.12Å; K24-W61 HydrophobicContact CB-CZ3 3.94Å; K24-W61 WeakPolarHBondContact O-CZ3 3.41Å
25	T	74.4	Confident	71.6	Confident	92 Å²	92	83 Å²	83	56%	0.564	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.8	170.9	56.5	0	0	0	0	111.2	L34 K35 W61	T25-L34 CarbonylContact C-O 3.59Å; T25-L34 VanDerWaalsContact CA-O 3.3Å; T25-L34 WeakPolarHBondContact CA-O 3.4Å; T25-K35 HydrophobicContact CG2-CG 4.22Å; T25-W61 VanDerWaalsContact CA-CZ3 3.48Å; T25-W61 VanDerWaalsContact N-CH2 3.32Å; T25-W61 VanDerWaalsContact O-CH2 3.24Å; T25-W61 WeakPolarHBondContact O-CH2 3.21Å
26	L	69.7	Low	71.9	Confident	59 Å²	59	81 Å²	81	31%	0.309	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116	173.9	176.4	67.8	0	0	0	108.5	L28 L34 W61	L26-L28 HydrophobicContact CD2-CD2 4.24Å; L26-L28 HydrophobicContact CG-CD2 4.39Å; L26-L34 HydrophobicContact CB-CB 4.39Å; L26-L34 HydrophobicContact CD2-CD1 4.45Å; L26-L34 PolarHBondContact N-O 3.02Å; L26-L34 PolarHBondContact O-N 3.48Å; L26-W61 HydrophobicContact CB-CD2 3.56Å; L26-W61 HydrophobicContact CB-CE3 3.63Å; L26-W61 HydrophobicContact CB-CG 4.22Å; L26-W61 HydrophobicContact CB-CH2 3.66Å; L26-W61 HydrophobicContact CB-CZ2 3.67Å; L26-W61 HydrophobicContact CB-CZ3 3.69Å; L26-W61 HydrophobicContact CD2-CB 4.34Å; L26-W61 HydrophobicContact CD2-CD2 3.94Å; L26-W61 HydrophobicContact CD2-CG 3.7Å; L26-W61 HydrophobicContact CG-CD2 4.39Å; L26-W61 VanDerWaalsContact N-CZ3 3.27Å
27	E	77.1	Confident	72.2	Confident	139 Å²	139	75.5 Å²	75.5	65%	0.65	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.1	172.9	-168.4	172.1	165.5	0	0	109.4	T32 V33	E27-T32 WeakPolarHBondContact CA-O 2.91Å; E27-V33 HydrophobicContact CB-CG2 4.4Å; E27-V33 HydrophobicContact CG-CG2 4.13Å
28	L	77.3	Confident	72	Confident	62 Å²	62	73 Å²	73	33%	0.325	42%	0.422	S	S	.	.			trans	-88.1	161.3	174.5	-58.2	-177.4	0	0	0	110	L26 D30 G31 T32 L34	L26-L28 HydrophobicContact CD2-CD2 4.24Å; L26-L28 HydrophobicContact CG-CD2 4.39Å; L28-D30 WeakPolarHBondContact CB-OD1 3.45Å; L28-D30 PolarHBondContact O-N 3.34Å; L28-G31 PolarHBondContact O-N 3.47Å; L28-T32 HydrophobicContact CD1-CG2 4.41Å; L28-T32 PolarHBondContact N-O 3.03Å; L28-L34 HydrophobicContact CD1-CD1 4.3Å; L28-L34 HydrophobicContact CD1-CG 4.44Å; L28-L34 HydrophobicContact CD2-CD1 4.33Å; L28-L34 HydrophobicContact CG-CD1 4.43Å; L28-L34 HydrophobicContact CG-CG 4.45Å
29	D	79.7	Confident	71.8	Confident	177 Å²	177	73.9 Å²	73.9	95%	0.947	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.2	-178.4	-58.9	-36.6	0	0	0	113.3	G31	D29-G31 VanDerWaalsContact C-N 3.33Å
30	D	82.6	Confident	71.8	Confident	111 Å²	111	73.2 Å²	73.2	59%	0.594	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	3.3	175.2	73.7	-5.3	0	0	0	114	L28 T32	L28-D30 WeakPolarHBondContact CB-OD1 3.45Å; L28-D30 PolarHBondContact O-N 3.34Å; D30-T32 VanDerWaalsContact C-N 3.31Å; D30-T32 VanDerWaalsContact CG-OG1 3.25Å; D30-T32 WeakPolarHBondContact OD1-CA 3.39Å; D30-T32 WeakPolarHBondContact OD1-CB 3.45Å; D30-T32 PolarHBondContact OD1-N 3Å; D30-T32 PolarHBondContact OD1-OG1 3.39Å; D30-T32 PolarHBondContact OD2-OG1 2.98Å; D30-T32 VanDerWaalsContact OD2-OG1 3.12Å
31	G	80	Confident	71.6	Confident	45 Å²	45	74.3 Å²	74.3	46%	0.464	41%	0.407	S	S	.	.	S	Bend	trans	82.1	-0.3	-176.4	0	0	0	0	0	114.5	L28 D29 V33	L28-G31 PolarHBondContact O-N 3.47Å; D29-G31 VanDerWaalsContact C-N 3.33Å; G31-V33 PolarHBondContact O-N 2.74Å
32	T	77.2	Confident	71.2	Confident	36 Å²	36	74.6 Å²	74.6	22%	0.221	41%	0.409	C	S	.	.			trans	-65.5	127.3	171.6	-57.6	0	0	0	0	109.6	E27 L28 D30 L34 K63	E27-T32 WeakPolarHBondContact CA-O 2.91Å; L28-T32 HydrophobicContact CD1-CG2 4.41Å; L28-T32 PolarHBondContact N-O 3.03Å; D30-T32 VanDerWaalsContact C-N 3.31Å; D30-T32 VanDerWaalsContact CG-OG1 3.25Å; D30-T32 WeakPolarHBondContact OD1-CA 3.39Å; D30-T32 WeakPolarHBondContact OD1-CB 3.45Å; D30-T32 PolarHBondContact OD1-N 3Å; D30-T32 PolarHBondContact OD1-OG1 3.39Å; D30-T32 PolarHBondContact OD2-OG1 2.98Å; D30-T32 VanDerWaalsContact OD2-OG1 3.12Å; T32-L34 HydrophobicContact CG2-CD2 3.91Å; T32-K63 HydrophobicContact CG2-CD 4.14Å; T32-K63 PolarHBondContact OG1-NZ 2.84Å; T32-K63 VanDerWaalsContact OG1-NZ 3.09Å
33	V	73.3	Confident	70.5	Confident	71 Å²	71	73.8 Å²	73.8	43%	0.43	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.9	170.8	-176.4	0	0	0	0	110.4	E27 G31 K35	E27-V33 HydrophobicContact CB-CG2 4.4Å; E27-V33 HydrophobicContact CG-CG2 4.13Å; G31-V33 PolarHBondContact O-N 2.74Å; V33-K35 HydrophobicContact CG1-CG 4.37Å
34	L	71.3	Confident	69.5	Low	19 Å²	19	77.9 Å²	77.9	10%	0.099	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.9	168.9	-53	-175.6	0	0	0	109.1	T25 L26 L28 T32 W61 K63	T25-L34 CarbonylContact C-O 3.59Å; T25-L34 VanDerWaalsContact CA-O 3.3Å; T25-L34 WeakPolarHBondContact CA-O 3.4Å; L26-L34 HydrophobicContact CB-CB 4.39Å; L26-L34 HydrophobicContact CD2-CD1 4.45Å; L26-L34 PolarHBondContact N-O 3.02Å; L26-L34 PolarHBondContact O-N 3.48Å; L28-L34 HydrophobicContact CD1-CD1 4.3Å; L28-L34 HydrophobicContact CD1-CG 4.44Å; L28-L34 HydrophobicContact CD2-CD1 4.33Å; L28-L34 HydrophobicContact CG-CD1 4.43Å; L28-L34 HydrophobicContact CG-CG 4.45Å; T32-L34 HydrophobicContact CG2-CD2 3.91Å; L34-W61 HydrophobicContact CB-CB 4.36Å; L34-W61 HydrophobicContact CB-CE3 3.96Å; L34-W61 HydrophobicContact CD1-CB 3.68Å; L34-K63 HydrophobicContact CD1-CB 4.48Å; L34-K63 HydrophobicContact CD2-CB 3.54Å; L34-K63 HydrophobicContact CD2-CD 3.86Å; L34-K63 HydrophobicContact CD2-CG 3.53Å
35	K	68.2	Low	68.2	Low	126 Å²	126	75.4 Å²	75.4	55%	0.548	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.9	-179.5	-63.9	-171.3	177.6	-178.7	0	110.3	T25 V33 I117	T25-K35 HydrophobicContact CG2-CG 4.22Å; V33-K35 HydrophobicContact CG1-CG 4.37Å; K35-I117 HydrophobicContact CD-CG2 4.18Å; K35-I117 VanDerWaalsContact NZ-CG2 3.32Å
36	G	65.3	Low	66.7	Low	16 Å²	16	73.5 Å²	73.5	17%	0.165	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.5	150.6	-176.7	0	0	0	0	0	112.8	D21 K24	D21-G36 CarbonylContact O-C 3.55Å; D21-G36 VanDerWaalsContact O-CA 3.29Å; D21-G36 WeakPolarHBondContact O-CA 3.42Å; K24-G36 PolarHBondContact O-N 3.4Å
37	V	66.1	Low	65.4	Low	14 Å²	14	74.7 Å²	74.7	9%	0.085	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.8	174.8	80.9	0	0	0	0	109.5	S20 D21 K24 C59 A60 W61	S20-V37 CarbonylContact C-O 3.56Å; S20-V37 VanDerWaalsContact CA-O 3.3Å; S20-V37 WeakPolarHBondContact CA-O 3.27Å; D21-V37 HydrophobicContact CB-CG1 4.12Å; D21-V37 PolarHBondContact N-O 2.96Å; D21-V37 PolarHBondContact O-N 2.85Å; K24-V37 HydrophobicContact CB-CB 4.31Å; K24-V37 HydrophobicContact CB-CG1 4.09Å; K24-V37 HydrophobicContact CG-CG1 3.93Å; V37-C59 HydrophobicContact CB-CB 4.2Å; V37-C59 HydrophobicContact CG1-CB 3.93Å; V37-C59 HydrophobicContact CG2-CB 3.24Å; V37-A60 WeakPolarHBondContact CG2-O 3.27Å; V37-W61 HydrophobicContact CB-CD2 4.3Å; V37-W61 HydrophobicContact CB-CE3 4.38Å; V37-W61 HydrophobicContact CB-CZ2 4.44Å; V37-W61 HydrophobicContact CG2-CD2 3.94Å; V37-W61 HydrophobicContact CG2-CE3 4.49Å; V37-W61 HydrophobicContact CG2-CG 4.12Å; V37-W61 HydrophobicContact CG2-CZ2 4.41Å
38	V	62.2	Low	63.5	Low	31 Å²	31	74 Å²	74	19%	0.188	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140	173.6	-64.3	0	0	0	0	109.7	V17 S19 L40 A60 V62	V17-V38 HydrophobicContact CG1-CB 4.18Å; V17-V38 HydrophobicContact CG1-CG1 4.27Å; S19-V38 CarbonylContact O-C 3.57Å; S19-V38 WeakPolarHBondContact O-CA 3.3Å; V38-L40 HydrophobicContact CG2-CD2 4.08Å; V38-L40 HydrophobicContact CG2-CG 4.21Å; V38-A60 PolarHBondContact N-O 2.73Å; V38-A60 VanDerWaalsContact N-O 3.17Å; V38-A60 PolarHBondContact O-N 3.33Å; V38-V62 HydrophobicContact CG2-CG2 3.79Å
39	R	64	Low	61.7	Low	82 Å²	82	73.8 Å²	73.8	31%	0.309	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.3	166.1	-170.9	175.8	-91.2	-112.8	-4.2	107.6	V17 T18 S19 D57	V17-R39 CarbonylContact C-O 3.53Å; V17-R39 WeakPolarHBondContact CA-O 3.29Å; T18-R39 PolarHBondContact N-O 3.41Å; T18-R39 WeakPolarHBondContact OG1-CG 3.28Å; T18-R39 PolarHBondContact OG1-O 3.35Å; S19-R39 PolarHBondContact O-N 2.73Å; S19-R39 VanDerWaalsContact OG-CB 3.27Å; S19-R39 WeakPolarHBondContact OG-CB 3.49Å; R39-D57 IonicContact CZ-OD1 3.84Å; R39-D57 IonicContact NH1-OD1 2.93Å; R39-D57 PolarHBondContact NH1-OD1 2.88Å; R39-D57 PolarHBondContact NH2-O 3.29Å; R39-D57 IonicContact NH2-OD1 3.83Å
40	L	64.4	Low	59.5	Low	46 Å²	46	74.2 Å²	74.2	24%	0.241	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.1	179.9	-63.8	-178.4	0	0	0	108.6	T9 Y15 R16 V17 V38	T9-L40 HydrophobicContact CG2-CD1 3.92Å; Y15-L40 HydrophobicContact CD1-CB 4.05Å; Y15-L40 HydrophobicContact CG-CB 4.33Å; Y15-L40 HydrophobicContact CG-CD1 4.37Å; R16-L40 CarbonylContact O-C 3.55Å; R16-L40 WeakPolarHBondContact O-CA 3.34Å; V17-L40 HydrophobicContact CB-CD2 4.39Å; V17-L40 HydrophobicContact CG2-CD2 3.65Å; V38-L40 HydrophobicContact CG2-CD2 4.08Å; V38-L40 HydrophobicContact CG2-CG 4.21Å
41	E	61.7	Low	56.9	Low	91 Å²	91	77.8 Å²	77.8	43%	0.425	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.2	170.2	-173.3	174.6	-142.7	0	0	108.2	Y15 R16 T18 I43	Y15-E41 WeakPolarHBondContact CA-O 3.44Å; R16-E41 IonicContact CZ-OE2 3.68Å; R16-E41 PolarHBondContact N-O 3.02Å; R16-E41 IonicContact NE-OE2 3.82Å; R16-E41 IonicContact NH2-OE2 2.73Å; R16-E41 PolarHBondContact NH2-OE2 3.46Å; R16-E41 PolarHBondContact O-N 3.32Å; T18-E41 HydrophobicContact CG2-CB 3.44Å; T18-E41 VanDerWaalsContact CG2-CB 3.44Å; T18-E41 HydrophobicContact CG2-CG 4.39Å; T18-E41 VanDerWaalsContact CG2-OE2 3.28Å; T18-E41 WeakPolarHBondContact CG2-OE2 3.36Å; E41-I43 PolarHBondContact O-N 3.16Å
42	N	62.4	Low	54.6	Low	60 Å²	60	77.8 Å²	77.8	32%	0.321	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	120.3	169.9	-180	-19.2	0	0	0	107	Y15 E44 G45	Y15-N42 HydrophobicContact CD1-CB 4.45Å; Y15-N42 HydrophobicContact CE1-CB 4.37Å; N42-E44 PolarHBondContact O-N 3.33Å; N42-E44 VanDerWaalsContact O-N 3.16Å; N42-E44 PolarHBondContact OD1-N 3.19Å; N42-G45 PolarHBondContact OD1-N 3.16Å
43	I	57.4	Low	52.1	Low	79 Å²	79	86.7 Å²	86.7	41%	0.405	46%	0.46	S	S	.	.	S	Bend	trans	-61.9	-29.5	-170	-66.8	179.5	0	0	0	111.6	V14 R16 E41	V14-I43 HydrophobicContact CG1-CD1 4.11Å; R16-I43 HydrophobicContact CB-CD1 3.63Å; R16-I43 HydrophobicContact CB-CG1 3.45Å; R16-I43 VanDerWaalsContact CB-CG1 3.45Å; E41-I43 PolarHBondContact O-N 3.16Å
44	E	51.9	Low	50.3	Low	175 Å²	175	87.6 Å²	87.6	82%	0.818	46%	0.462	S	S	*	.	S	Bend	trans	-169.7	32.9	-178.3	-119.1	162.1	-153.5	0	0	115.4	N42 A46	N42-E44 PolarHBondContact O-N 3.33Å; N42-E44 VanDerWaalsContact O-N 3.16Å; N42-E44 PolarHBondContact OD1-N 3.19Å; E44-A46 PolarHBondContact O-N 2.97Å
45	G	46.8	Very low	48.2	Very low	52 Å²	52	94.7 Å²	94.7	54%	0.536	50%	0.499	S	S	.	.			trans	61.4	17.9	179.1	0	0	0	0	0	113.4	N42 V47	N42-G45 PolarHBondContact OD1-N 3.16Å; G45-V47 VanDerWaalsContact C-N 3.29Å; G45-V47 PolarHBondContact O-N 3.27Å
46	A	42.7	Very low	46.6	Very low	52 Å²	52	91 Å²	91	43%	0.43	50%	0.497	S	S	.	.			trans	-69.5	88	175.6	0	0	0	0	0	108.5	E44 F48	E44-A46 PolarHBondContact O-N 2.97Å; A46-F48 PolarHBondContact O-N 2.8Å
47	V	41.6	Very low	45	Very low	84 Å²	84	95.6 Å²	95.6	51%	0.509	52%	0.518	S	S	.	.			trans	-84.7	104.8	170.5	-170.3	0	0	0	0	106.8	G45 G49	G45-V47 VanDerWaalsContact C-N 3.29Å; G45-V47 PolarHBondContact O-N 3.27Å; V47-G49 WeakPolarHBondContact CG1-O 3.38Å; V47-G49 PolarHBondContact O-N 3.08Å
48	F	37.4	Very low	43.6	Very low	126 Å²	126	105.8 Å²	105.8	55%	0.553	56%	0.555	S	S	*	*			trans	-74.2	106.8	165.6	-77.6	-92.7	0	0	0	108.2	D12 A46	D12-F48 HydrophobicContact CB-CB 3.58Å; D12-F48 HydrophobicContact CB-CG 4.39Å; D12-F48 WeakPolarHBondContact O-CB 3.37Å; D12-F48 WeakPolarHBondContact O-CD2 3.48Å; A46-F48 PolarHBondContact O-N 2.8Å
49	G	39.9	Very low	42.5	Very low	57 Å²	57	106.7 Å²	106.7	59%	0.588	56%	0.562	S	S	*	*	S	Bend	trans	82.6	177.2	172.2	0	0	0	0	0	115.5	V47 K51	V47-G49 WeakPolarHBondContact CG1-O 3.38Å; V47-G49 PolarHBondContact O-N 3.08Å; G49-K51 PolarHBondContact O-N 3.23Å
50	E	33	Very low	41.6	Very low	185 Å²	185	104.5 Å²	104.5	86%	0.864	56%	0.561	S	S	*	*	S	Bend	trans	-79.5	107	-165.7	-66.9	-171.2	165	0	0	112.7
51	K	29.1	Very low	40.5	Very low	186 Å²	186	105.6 Å²	105.6	81%	0.809	56%	0.562	S	S	*	*			trans	81.2	111.9	153.6	-55.8	175.1	-178.8	173.9	0	117.8	G49	G49-K51 PolarHBondContact O-N 3.23Å
52	G	30.6	Very low	39.8	Very low	45 Å²	45	104.3 Å²	104.3	46%	0.464	56%	0.561	S	S	.	*			trans	-170.9	110.9	157.1	0	0	0	0	0	111.3
53	Y	25.5	Very low	38.6	Very low	223 Å²	223	105.9 Å²	105.9	88%	0.875	57%	0.565	S	S	*	*			trans	-89.7	147	179.1	-63.9	-90.1	0	0	0	111.3
54	L	35.8	Very low	37.7	Very low	90 Å²	90	108.3 Å²	108.3	47%	0.471	58%	0.578	S	S	.	*			trans	-153.5	130.1	148.7	-106.9	169.2	0	0	0	112.2	V5 G8 G56	V5-L54 HydrophobicContact CG1-CD2 4.04Å; G8-L54 WeakPolarHBondContact O-CD1 3.48Å; L54-G56 PolarHBondContact O-N 2.98Å
55	L	25.9	Very low	37.1	Very low	168 Å²	168	105.5 Å²	105.5	88%	0.88	57%	0.568	S	S	*	*			trans	-85.6	88.5	174.6	-163.8	90.7	0	0	0	108.4	D57	L55-D57 VanDerWaalsContact C-N 3.28Å; L55-D57 PolarHBondContact O-N 3.24Å
56	G	34.1	Very low	36.7	Very low	49 Å²	49	108.4 Å²	108.4	51%	0.505	58%	0.575	S	S	.	*			trans	-80.6	43.5	-168.4	0	0	0	0	0	116.3	L54 R58	L54-G56 PolarHBondContact O-N 2.98Å; G56-R58 PolarHBondContact O-N 3.04Å
57	D	32.2	Very low	36.6	Very low	113 Å²	113	110.1 Å²	110.1	60%	0.604	58%	0.582	S	S	*	*			trans	-82.7	5.1	178.6	-131.5	-6.2	0	0	0	114.1	R39 L55	R39-D57 IonicContact CZ-OD1 3.84Å; R39-D57 IonicContact NH1-OD1 2.93Å; R39-D57 PolarHBondContact NH1-OD1 2.88Å; R39-D57 PolarHBondContact NH2-O 3.29Å; R39-D57 IonicContact NH2-OD1 3.83Å; L55-D57 VanDerWaalsContact C-N 3.28Å; L55-D57 PolarHBondContact O-N 3.24Å
58	R	36.6	Very low	36.9	Very low	227 Å²	227	112 Å²	112	86%	0.857	59%	0.588	S	S	*	*	S	Bend	trans	-135.3	121	177.3	-64.3	-171.7	-170.5	-176.5	3.7	110.5	G56	G56-R58 PolarHBondContact O-N 3.04Å
59	C	39.8	Very low	37.2	Very low	50 Å²	50	110.8 Å²	110.8	34%	0.338	59%	0.592	S	S	.	*			trans	-38.6	136.8	-178.1	-44.7	0	0	0	0	113.9	V37	V37-C59 HydrophobicContact CB-CB 4.2Å; V37-C59 HydrophobicContact CG1-CB 3.93Å; V37-C59 HydrophobicContact CG2-CB 3.24Å
60	A	44	Very low	38.1	Very low	36 Å²	36	113.7 Å²	113.7	30%	0.298	59%	0.594	S	S	.	*	B	Isolated β-bridge	trans	-93.4	133.1	179.8	0	0	0	0	0	110.9	V37 V38	V37-A60 WeakPolarHBondContact CG2-O 3.27Å; V38-A60 PolarHBondContact N-O 2.73Å; V38-A60 VanDerWaalsContact N-O 3.17Å; V38-A60 PolarHBondContact O-N 3.33Å
61	W	43	Very low	39.4	Very low	69 Å²	69	107.4 Å²	107.4	26%	0.261	57%	0.568	S	S	.	*			trans	-90.6	124.1	172.8	-61.9	84.3	0	0	0	108.3	K24 T25 L26 L34 V37	K24-W61 VanDerWaalsContact C-CH2 3.44Å; K24-W61 VanDerWaalsContact C-CZ3 3.48Å; K24-W61 HydrophobicContact CB-CH2 3.4Å; K24-W61 VanDerWaalsContact CB-CH2 3.4Å; K24-W61 HydrophobicContact CB-CZ2 4.12Å; K24-W61 HydrophobicContact CB-CZ3 3.94Å; K24-W61 WeakPolarHBondContact O-CZ3 3.41Å; T25-W61 VanDerWaalsContact CA-CZ3 3.48Å; T25-W61 VanDerWaalsContact N-CH2 3.32Å; T25-W61 VanDerWaalsContact O-CH2 3.24Å; T25-W61 WeakPolarHBondContact O-CH2 3.21Å; L26-W61 HydrophobicContact CB-CD2 3.56Å; L26-W61 HydrophobicContact CB-CE3 3.63Å; L26-W61 HydrophobicContact CB-CG 4.22Å; L26-W61 HydrophobicContact CB-CH2 3.66Å; L26-W61 HydrophobicContact CB-CZ2 3.67Å; L26-W61 HydrophobicContact CB-CZ3 3.69Å; L26-W61 HydrophobicContact CD2-CB 4.34Å; L26-W61 HydrophobicContact CD2-CD2 3.94Å; L26-W61 HydrophobicContact CD2-CG 3.7Å; L26-W61 HydrophobicContact CG-CD2 4.39Å; L26-W61 VanDerWaalsContact N-CZ3 3.27Å; L34-W61 HydrophobicContact CB-CB 4.36Å; L34-W61 HydrophobicContact CB-CE3 3.96Å; L34-W61 HydrophobicContact CD1-CB 3.68Å; V37-W61 HydrophobicContact CB-CD2 4.3Å; V37-W61 HydrophobicContact CB-CE3 4.38Å; V37-W61 HydrophobicContact CB-CZ2 4.44Å; V37-W61 HydrophobicContact CG2-CD2 3.94Å; V37-W61 HydrophobicContact CG2-CE3 4.49Å; V37-W61 HydrophobicContact CG2-CG 4.12Å; V37-W61 HydrophobicContact CG2-CZ2 4.41Å
62	V	46	Very low	41.1	Very low	64 Å²	64	103.2 Å²	103.2	39%	0.388	56%	0.56	S	S	.	*			trans	-101.6	104.1	-175.8	-161.8	0	0	0	0	109.1	V38 I65	V38-V62 HydrophobicContact CG2-CG2 3.79Å; V62-I65 HydrophobicContact CB-CD1 4.35Å; V62-I65 HydrophobicContact CB-CG1 4.03Å; V62-I65 HydrophobicContact CG1-CD1 4.15Å; V62-I65 HydrophobicContact CG1-CG1 3.34Å
63	K	37.5	Very low	42.9	Very low	94 Å²	94	106.5 Å²	106.5	41%	0.409	56%	0.563	S	S	.	*	S	Bend	trans	-87.5	134	160.2	-158.5	-178.7	175.6	167.4	0	106.5	T32 L34	T32-K63 HydrophobicContact CG2-CD 4.14Å; T32-K63 PolarHBondContact OG1-NZ 2.84Å; T32-K63 VanDerWaalsContact OG1-NZ 3.09Å; L34-K63 HydrophobicContact CD1-CB 4.48Å; L34-K63 HydrophobicContact CD2-CB 3.54Å; L34-K63 HydrophobicContact CD2-CD 3.86Å; L34-K63 HydrophobicContact CD2-CG 3.53Å
64	D	37.5	Very low	44.6	Very low	129 Å²	129	98.5 Å²	98.5	69%	0.69	54%	0.535	S	S	*	.			trans	66	57.9	172.4	-47.8	-44.9	0	0	0	115.7	V66	D64-V66 PolarHBondContact O-N 2.85Å
65	I	41	Very low	45.6	Very low	116 Å²	116	96.9 Å²	96.9	60%	0.595	53%	0.527	S	S	*	.			trans	-60.5	107.3	164.2	-62.4	174.6	0	0	0	108.2	V62 P67	V62-I65 HydrophobicContact CB-CD1 4.35Å; V62-I65 HydrophobicContact CB-CG1 4.03Å; V62-I65 HydrophobicContact CG1-CD1 4.15Å; V62-I65 HydrophobicContact CG1-CG1 3.34Å; I65-P67 WeakPolarHBondContact O-CD 3.19Å
66	V	37	Very low	47.3	Very low	114 Å²	114	94.3 Å²	94.3	69%	0.691	51%	0.51	S	S	*	.			trans	-84.7	112.9	164.5	-177.7	0	0	0	0	107	D64 I68	D64-V66 PolarHBondContact O-N 2.85Å; V66-I68 PolarHBondContact O-N 3.36Å; V66-I68 VanDerWaalsContact O-N 3.15Å
67	P	40.8	Very low	48.6	Very low	88 Å²	88	98.8 Å²	98.8	57%	0.571	52%	0.516	S	S	*	.			trans	-61.7	121.1	174.9	24.6	-31.1	0	0	0	108.5	I65 P69	I65-P67 WeakPolarHBondContact O-CD 3.19Å; P67-P69 WeakPolarHBondContact O-CD 3.09Å
68	I	47.4	Very low	49.5	Very low	124 Å²	124	96.7 Å²	96.7	64%	0.636	50%	0.504	S	S	*	.			trans	-87.6	115.8	171.1	-59.1	175.9	0	0	0	106.4	V66 L70 I74	V66-I68 PolarHBondContact O-N 3.36Å; V66-I68 VanDerWaalsContact O-N 3.15Å; I68-L70 PolarHBondContact O-N 3.48Å; I68-I74 HydrophobicContact CG2-CD1 3.71Å
69	P	45.6	Very low	50.3	Low	100 Å²	100	88.8 Å²	88.8	65%	0.649	49%	0.494	S	S	*	.			trans	-59.4	123.4	173	-19.3	31.8	0	0	0	108.9	P67 T71 I74	P67-P69 WeakPolarHBondContact O-CD 3.09Å; P69-T71 PolarHBondContact O-N 3.49Å; P69-I74 WeakPolarHBondContact O-CD1 3.21Å
70	L	57	Low	50.8	Low	118 Å²	118	94.3 Å²	94.3	62%	0.618	51%	0.507	S	S	*	.			trans	-71.9	97	176	-63.7	177.7	0	0	0	108.8	I68 L75	I68-L70 PolarHBondContact O-N 3.48Å; L70-L75 HydrophobicContact CD2-CD2 4.5Å
71	T	61.4	Low	51.3	Low	53 Å²	53	100 Å²	100	33%	0.325	53%	0.526	S	S	.	.			trans	-88	152	172	64.3	0	0	0	0	110	P69 E73 I74 L75	P69-T71 PolarHBondContact O-N 3.49Å; T71-E73 PolarHBondContact O-N 3.44Å; T71-E73 VanDerWaalsContact O-N 3.16Å; T71-I74 PolarHBondContact O-N 3.27Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.32Å; T71-I74 PolarHBondContact OG1-N 2.77Å; T71-L75 PolarHBondContact O-N 2.96Å; T71-L75 VanDerWaalsContact O-N 3.08Å
72	P	65.1	Low	51.9	Low	97 Å²	97	104.8 Å²	104.8	63%	0.63	55%	0.548	S	S	*	.	H	α-helix	trans	-51.1	-37.5	172.8	-28.1	35.3	0	0	0	112.7	I74 L75 E76	P72-I74 PolarHBondContact O-N 3.02Å; P72-L75 PolarHBondContact O-N 3.06Å; P72-E76 WeakPolarHBondContact O-CB 3.27Å; P72-E76 WeakPolarHBondContact O-CG 3.39Å; P72-E76 PolarHBondContact O-N 3.15Å
73	E	67.8	Low	52.2	Low	115 Å²	115	110.5 Å²	110.5	54%	0.537	57%	0.571	S	S	.	*	H	α-helix	trans	-60.8	-43.2	176.9	-168.2	-166.7	158.9	0	0	112.9	T71 K77	T71-E73 PolarHBondContact O-N 3.44Å; T71-E73 VanDerWaalsContact O-N 3.16Å; E73-K77 HydrophobicContact CG-CD 4.46Å; E73-K77 WeakPolarHBondContact O-CB 3.43Å; E73-K77 WeakPolarHBondContact O-CG 3.15Å; E73-K77 PolarHBondContact O-N 3.19Å; E73-K77 IonicContact OE1-NZ 2.71Å; E73-K77 PolarHBondContact OE1-NZ 3.17Å
74	I	61.9	Low	52.4	Low	54 Å²	54	111.4 Å²	111.4	28%	0.277	58%	0.579	S	S	.	*	H	α-helix	trans	-66	-42.9	176.7	-70.8	170	0	0	0	109.8	I68 P69 T71 P72 K77 N78	I68-I74 HydrophobicContact CG2-CD1 3.71Å; P69-I74 WeakPolarHBondContact O-CD1 3.21Å; T71-I74 PolarHBondContact O-N 3.27Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.32Å; T71-I74 PolarHBondContact OG1-N 2.77Å; P72-I74 PolarHBondContact O-N 3.02Å; I74-K77 PolarHBondContact O-N 2.94Å; I74-N78 PolarHBondContact O-N 2.91Å; I74-N78 VanDerWaalsContact O-N 3.14Å; I74-N78 PolarHBondContact O-ND2 2.87Å
75	L	56.1	Low	52.3	Low	57 Å²	57	112.4 Å²	112.4	30%	0.298	58%	0.584	S	S	.	*	H	α-helix	trans	-62	-50.1	178.8	-65.7	175.1	0	0	0	111.1	L70 T71 P72 K77 N78 G79 W80	L70-L75 HydrophobicContact CD2-CD2 4.5Å; T71-L75 PolarHBondContact O-N 2.96Å; T71-L75 VanDerWaalsContact O-N 3.08Å; P72-L75 PolarHBondContact O-N 3.06Å; L75-K77 PolarHBondContact O-N 2.93Å; L75-N78 CarbonylContact O-C 3.59Å; L75-N78 WeakPolarHBondContact O-CA 3.31Å; L75-N78 PolarHBondContact O-N 2.8Å; L75-G79 PolarHBondContact O-N 3.32Å; L75-W80 CarbonylContact C-O 3.43Å; L75-W80 HydrophobicContact CB-CB 4.04Å; L75-W80 WeakPolarHBondContact O-CA 3.34Å; L75-W80 VanDerWaalsContact O-CB 3.3Å; L75-W80 WeakPolarHBondContact O-CB 3.37Å; L75-W80 PolarHBondContact O-N 3.5Å
76	E	61.3	Low	52.1	Low	113 Å²	113	111.1 Å²	111.1	53%	0.528	60%	0.6	S	S	.	*	H	α-helix	trans	-60.6	-41.7	178.7	-75.3	178.3	-171	0	0	112.6	P72 N78 G79	P72-E76 WeakPolarHBondContact O-CB 3.27Å; P72-E76 WeakPolarHBondContact O-CG 3.39Å; P72-E76 PolarHBondContact O-N 3.15Å; E76-N78 PolarHBondContact O-N 2.86Å; E76-G79 PolarHBondContact O-N 3.27Å
77	K	61.2	Low	52	Low	144 Å²	144	109 Å²	109	63%	0.626	60%	0.601	S	S	*	*	H	α-helix	trans	-60.5	-29.8	173.7	-83.6	174.9	171.9	164	0	112.7	E73 I74 L75 G79	E73-K77 HydrophobicContact CG-CD 4.46Å; E73-K77 WeakPolarHBondContact O-CB 3.43Å; E73-K77 WeakPolarHBondContact O-CG 3.15Å; E73-K77 PolarHBondContact O-N 3.19Å; E73-K77 IonicContact OE1-NZ 2.71Å; E73-K77 PolarHBondContact OE1-NZ 3.17Å; I74-K77 PolarHBondContact O-N 2.94Å; L75-K77 PolarHBondContact O-N 2.93Å; K77-G79 VanDerWaalsContact C-N 3.26Å; K77-G79 PolarHBondContact O-N 3.29Å
78	N	52.2	Low	51.6	Low	68 Å²	68	112.3 Å²	112.3	36%	0.364	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.3	16.5	176.5	-73.5	-68.5	0	0	0	113.1	V14 I74 L75 E76 W80	V14-N78 WeakPolarHBondContact CG2-OD1 3.36Å; I74-N78 PolarHBondContact O-N 2.91Å; I74-N78 VanDerWaalsContact O-N 3.14Å; I74-N78 PolarHBondContact O-ND2 2.87Å; L75-N78 CarbonylContact O-C 3.59Å; L75-N78 WeakPolarHBondContact O-CA 3.31Å; L75-N78 PolarHBondContact O-N 2.8Å; E76-N78 PolarHBondContact O-N 2.86Å; N78-W80 VanDerWaalsContact O-CD1 3.23Å; N78-W80 PolarHBondContact O-N 3.3Å
79	G	52.3	Low	51.1	Low	62 Å²	62	110 Å²	110	64%	0.639	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.6	0.6	178	0	0	0	0	0	114.4	L75 E76 K77 K81	L75-G79 PolarHBondContact O-N 3.32Å; E76-G79 PolarHBondContact O-N 3.27Å; K77-G79 VanDerWaalsContact C-N 3.26Å; K77-G79 PolarHBondContact O-N 3.29Å; G79-K81 VanDerWaalsContact C-N 3.27Å; G79-K81 PolarHBondContact O-N 3.01Å
80	W	51.4	Low	50.4	Low	165 Å²	165	113.6 Å²	113.6	63%	0.625	64%	0.636	S	S	*	*			trans	-82.4	76.5	173.8	-60.4	79	0	0	0	108.9	L75 N78 M96	L75-W80 CarbonylContact C-O 3.43Å; L75-W80 HydrophobicContact CB-CB 4.04Å; L75-W80 WeakPolarHBondContact O-CA 3.34Å; L75-W80 VanDerWaalsContact O-CB 3.3Å; L75-W80 WeakPolarHBondContact O-CB 3.37Å; L75-W80 PolarHBondContact O-N 3.5Å; N78-W80 VanDerWaalsContact O-CD1 3.23Å; N78-W80 PolarHBondContact O-N 3.3Å; W80-M96 HydrophobicContact CE3-CE 4.39Å; W80-M96 HydrophobicContact CZ3-CE 4.36Å
81	K	54.9	Low	49.6	Very low	157 Å²	157	110.7 Å²	110.7	68%	0.683	63%	0.634	S	S	*	*			trans	-79.1	129.3	169.5	-69.7	-176.6	-179	178.8	0	108.4	G79 E83	G79-K81 VanDerWaalsContact C-N 3.27Å; G79-K81 PolarHBondContact O-N 3.01Å; K81-E83 VanDerWaalsContact C-N 3.32Å; K81-E83 PolarHBondContact O-N 2.94Å
82	K	55.2	Low	49	Very low	168 Å²	168	111.5 Å²	111.5	73%	0.73	64%	0.636	S	S	*	*			trans	-66.8	99.2	162.9	-166.9	179.2	172.3	-180	0	105.8	I84	K82-I84 HydrophobicContact CB-CG1 4.37Å; K82-I84 HydrophobicContact CD-CD1 3.88Å; K82-I84 HydrophobicContact CD-CG1 3.89Å; K82-I84 HydrophobicContact CG-CD1 4.27Å; K82-I84 HydrophobicContact CG-CG1 3.77Å; K82-I84 PolarHBondContact O-N 2.79Å
83	E	52.3	Low	48	Very low	184 Å²	184	114.5 Å²	114.5	86%	0.86	64%	0.642	S	S	*	*			trans	-66.7	81.9	172.2	-69.2	-158	165.8	0	0	108.6	K81 N85	K81-E83 VanDerWaalsContact C-N 3.32Å; K81-E83 PolarHBondContact O-N 2.94Å; E83-N85 PolarHBondContact O-N 3.47Å
84	I	41.7	Very low	47.1	Very low	113 Å²	113	114.3 Å²	114.3	58%	0.579	65%	0.645	S	S	*	*			trans	-86.3	93.3	161.7	-49.9	169.5	0	0	0	104.1	K82	K82-I84 HydrophobicContact CB-CG1 4.37Å; K82-I84 HydrophobicContact CD-CD1 3.88Å; K82-I84 HydrophobicContact CD-CG1 3.89Å; K82-I84 HydrophobicContact CG-CD1 4.27Å; K82-I84 HydrophobicContact CG-CG1 3.77Å; K82-I84 PolarHBondContact O-N 2.79Å
85	N	35.7	Very low	46.2	Very low	151 Å²	151	116.2 Å²	116.2	81%	0.807	66%	0.655	S	S	*	*	S	Bend	trans	172	131.4	138.9	-83.3	-32.3	0	0	0	110.2	E83	E83-N85 PolarHBondContact O-N 3.47Å
86	G	36.7	Very low	45.7	Very low	89 Å²	89	119.2 Å²	119.2	92%	0.918	67%	0.669	S	S	*	*			trans	-54.4	134.7	-164.2	0	0	0	0	0	115.4
87	G	34.6	Very low	45.1	Very low	69 Å²	69	119.2 Å²	119.2	71%	0.711	67%	0.67	S	S	*	*			trans	162	77.2	173	0	0	0	0	0	113.2
88	V	32.2	Very low	44.3	Very low	158 Å²	158	117.4 Å²	117.4	96%	0.958	67%	0.667	S	S	*	*			trans	46.2	88.2	149.9	-164.8	0	0	0	0	116.4
89	G	36.4	Very low	44.1	Very low	74 Å²	74	116.2 Å²	116.2	76%	0.763	67%	0.671	S	S	*	*			trans	-169.9	69.4	169.6	0	0	0	0	0	110.2	G91	G89-G91 PolarHBondContact O-N 3.45Å
90	M	31.7	Very low	43.8	Very low	177 Å²	177	118 Å²	118	87%	0.872	67%	0.666	S	S	*	*			trans	-69.5	68.9	-173.8	-156.9	172.8	-170	0	0	111.3
91	G	40.1	Very low	43.8	Very low	56 Å²	56	114.1 Å²	114.1	58%	0.577	66%	0.656	S	S	*	*	S	Bend	trans	-91.4	108.5	151	0	0	0	0	0	105.6	G89 E93	G89-G91 PolarHBondContact O-N 3.45Å; G91-E93 PolarHBondContact O-N 3.12Å
92	N	48.3	Very low	43.6	Very low	70 Å²	70	111.7 Å²	111.7	37%	0.374	65%	0.65	S	S	.	*			trans	-55	130.2	-160.6	-63.6	-56.8	0	0	0	110.7	D94 D95 M96	N92-D94 HydrophobicContact CB-CB 4.2Å; N92-D94 PolarHBondContact O-N 2.79Å; N92-D95 WeakPolarHBondContact O-CA 3.3Å; N92-D95 WeakPolarHBondContact O-CB 3.46Å; N92-D95 PolarHBondContact O-N 3.46Å; N92-M96 PolarHBondContact O-N 3.45Å
93	E	45	Very low	43.5	Very low	161 Å²	161	105.6 Å²	105.6	75%	0.752	64%	0.635	S	S	*	*	H	α-helix	trans	-50.2	-29.2	171.3	-155	163	-178.8	0	0	111.1	G91 M96 M97	G91-E93 PolarHBondContact O-N 3.12Å; E93-M96 PolarHBondContact O-N 2.82Å; E93-M97 PolarHBondContact O-N 3.09Å
94	D	47.4	Very low	43.9	Very low	111 Å²	111	100.3 Å²	100.3	59%	0.594	62%	0.615	S	S	*	*	H	α-helix	trans	-62.3	-41	170.9	-60.9	-34.4	0	0	0	113.5	N92 M96 M97 L98	N92-D94 HydrophobicContact CB-CB 4.2Å; N92-D94 PolarHBondContact O-N 2.79Å; D94-M96 VanDerWaalsContact C-N 3.34Å; D94-M96 PolarHBondContact O-N 3.46Å; D94-M97 PolarHBondContact O-N 2.88Å; D94-L98 WeakPolarHBondContact O-CB 3.07Å; D94-L98 WeakPolarHBondContact O-CD1 3.26Å; D94-L98 WeakPolarHBondContact O-CG 3.44Å; D94-L98 PolarHBondContact O-N 2.94Å
95	D	43.7	Very low	44.4	Very low	94 Å²	94	99.4 Å²	99.4	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-67.7	-36	180	-66.2	-34.1	0	0	0	111.2	N92 G99	N92-D95 WeakPolarHBondContact O-CA 3.3Å; N92-D95 WeakPolarHBondContact O-CB 3.46Å; N92-D95 PolarHBondContact O-N 3.46Å; D95-G99 PolarHBondContact O-N 2.93Å
96	M	45	Very low	45.6	Very low	119 Å²	119	96.5 Å²	96.5	59%	0.586	60%	0.595	S	S	*	*	H	α-helix	trans	-71.8	-44.5	176.4	-65.5	-174.8	68.6	0	0	112	W80 N92 E93 D94 L98 G99 L100	W80-M96 HydrophobicContact CE3-CE 4.39Å; W80-M96 HydrophobicContact CZ3-CE 4.36Å; N92-M96 PolarHBondContact O-N 3.45Å; E93-M96 PolarHBondContact O-N 2.82Å; D94-M96 VanDerWaalsContact C-N 3.34Å; D94-M96 PolarHBondContact O-N 3.46Å; M96-L98 VanDerWaalsContact C-N 3.33Å; M96-G99 PolarHBondContact O-N 2.85Å; M96-L100 PolarHBondContact O-N 2.86Å
97	M	48.9	Very low	46.8	Very low	113 Å²	113	97.3 Å²	97.3	56%	0.557	57%	0.573	S	S	*	*	H	α-helix	trans	-60.9	-42.7	172.1	-89.9	-107.7	-73	0	0	111.2	E93 D94 G99 L100 I101	E93-M97 PolarHBondContact O-N 3.09Å; D94-M97 PolarHBondContact O-N 2.88Å; M97-G99 VanDerWaalsContact C-N 3.35Å; M97-G99 PolarHBondContact O-N 2.79Å; M97-L100 PolarHBondContact O-N 2.74Å; M97-I101 HydrophobicContact CB-CD1 4.48Å; M97-I101 VanDerWaalsContact O-CB 3.31Å; M97-I101 WeakPolarHBondContact O-CB 3.49Å; M97-I101 WeakPolarHBondContact O-CD1 3.41Å; M97-I101 WeakPolarHBondContact O-CG1 3.19Å; M97-I101 PolarHBondContact O-N 2.9Å
98	L	45	Very low	47.7	Very low	106 Å²	106	98.3 Å²	98.3	56%	0.555	56%	0.562	S	S	*	*	H	α-helix	trans	-59.4	-44.4	174.9	-84.8	158.8	0	0	0	111.3	D94 M96 I101 L102	D94-L98 WeakPolarHBondContact O-CB 3.07Å; D94-L98 WeakPolarHBondContact O-CD1 3.26Å; D94-L98 WeakPolarHBondContact O-CG 3.44Å; D94-L98 PolarHBondContact O-N 2.94Å; M96-L98 VanDerWaalsContact C-N 3.33Å; L98-I101 PolarHBondContact O-N 2.86Å; L98-L102 WeakPolarHBondContact O-CB 3.5Å; L98-L102 PolarHBondContact O-N 3.04Å
99	G	47	Very low	48.9	Very low	44 Å²	44	94.7 Å²	94.7	45%	0.454	54%	0.54	S	S	.	.	H	α-helix	trans	-61.1	-43.5	175.8	0	0	0	0	0	113	D95 M96 M97 L102 G103	D95-G99 PolarHBondContact O-N 2.93Å; M96-G99 PolarHBondContact O-N 2.85Å; M97-G99 VanDerWaalsContact C-N 3.35Å; M97-G99 PolarHBondContact O-N 2.79Å; G99-L102 PolarHBondContact O-N 3.36Å; G99-G103 PolarHBondContact O-N 2.82Å
100	L	46.5	Very low	50	Low	100 Å²	100	95.3 Å²	95.3	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-48.1	176.8	-167.7	93.5	0	0	0	111.5	M96 M97 L102 G103 V104	M96-L100 PolarHBondContact O-N 2.86Å; M97-L100 PolarHBondContact O-N 2.74Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 2.84Å; L100-G103 PolarHBondContact O-N 3.4Å; L100-V104 WeakPolarHBondContact O-CB 3.32Å; L100-V104 VanDerWaalsContact O-CG2 3.27Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.39Å
101	I	52.6	Low	51.2	Low	83 Å²	83	89.3 Å²	89.3	43%	0.426	50%	0.498	S	S	.	.	H	α-helix	trans	-61.5	-43.3	178.3	-69.3	164.9	0	0	0	109.7	M97 L98 V104 L105	M97-I101 HydrophobicContact CB-CD1 4.48Å; M97-I101 VanDerWaalsContact O-CB 3.31Å; M97-I101 WeakPolarHBondContact O-CB 3.49Å; M97-I101 WeakPolarHBondContact O-CD1 3.41Å; M97-I101 WeakPolarHBondContact O-CG1 3.19Å; M97-I101 PolarHBondContact O-N 2.9Å; L98-I101 PolarHBondContact O-N 2.86Å; I101-V104 PolarHBondContact O-N 2.95Å; I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 VanDerWaalsContact O-CB 3.26Å; I101-L105 WeakPolarHBondContact O-CB 3.25Å; I101-L105 VanDerWaalsContact O-CG 3.25Å; I101-L105 WeakPolarHBondContact O-CG 3.26Å; I101-L105 PolarHBondContact O-N 3.49Å
102	L	49.4	Very low	52.1	Low	105 Å²	105	90.9 Å²	90.9	55%	0.55	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-42.8	178.3	-171.1	65.5	0	0	0	111.3	L98 G99 L100 L105 I106	L98-L102 WeakPolarHBondContact O-CB 3.5Å; L98-L102 PolarHBondContact O-N 3.04Å; G99-L102 PolarHBondContact O-N 3.36Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 2.84Å; L102-L105 PolarHBondContact O-N 3.22Å; L102-I106 HydrophobicContact CD1-CD1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.96Å; L102-I106 WeakPolarHBondContact O-CB 3.13Å; L102-I106 WeakPolarHBondContact O-CD1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.36Å
103	G	53.8	Low	52.4	Low	41 Å²	41	90.1 Å²	90.1	42%	0.423	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-44.2	175.5	0	0	0	0	0	112.7	G99 L100 I106 F107	G99-G103 PolarHBondContact O-N 2.82Å; L100-G103 PolarHBondContact O-N 3.4Å; G103-I106 PolarHBondContact O-N 3.31Å; G103-F107 WeakPolarHBondContact O-CB 3.32Å; G103-F107 PolarHBondContact O-N 2.82Å
104	V	60.2	Low	52.6	Low	73 Å²	73	85.2 Å²	85.2	44%	0.442	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-40.7	175.6	169.8	0	0	0	0	111.3	L100 I101 F107 L108	L100-V104 WeakPolarHBondContact O-CB 3.32Å; L100-V104 VanDerWaalsContact O-CG2 3.27Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.39Å; I101-V104 PolarHBondContact O-N 2.95Å; V104-F107 PolarHBondContact O-N 3.46Å; V104-L108 HydrophobicContact CG1-CD1 3.8Å; V104-L108 WeakPolarHBondContact O-CB 3.37Å; V104-L108 PolarHBondContact O-N 2.78Å
105	L	52.5	Low	52.7	Low	93 Å²	93	84.2 Å²	84.2	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-44	176.2	-81.7	167.5	0	0	0	112.2	I101 L102 F107 L108 T109	I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 VanDerWaalsContact O-CB 3.26Å; I101-L105 WeakPolarHBondContact O-CB 3.25Å; I101-L105 VanDerWaalsContact O-CG 3.25Å; I101-L105 WeakPolarHBondContact O-CG 3.26Å; I101-L105 PolarHBondContact O-N 3.49Å; L102-L105 PolarHBondContact O-N 3.22Å; L105-F107 VanDerWaalsContact C-N 3.32Å; L105-F107 PolarHBondContact O-N 2.96Å; L105-L108 PolarHBondContact O-N 3.37Å; L105-T109 WeakPolarHBondContact O-CB 3.3Å; L105-T109 PolarHBondContact O-N 2.91Å; L105-T109 PolarHBondContact O-OG1 2.87Å
106	I	61.1	Low	52.5	Low	90 Å²	90	81.2 Å²	81.2	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-45.4	175.6	-69.7	166	0	0	0	109.3	L102 G103 T109 I110	L102-I106 HydrophobicContact CD1-CD1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.96Å; L102-I106 WeakPolarHBondContact O-CB 3.13Å; L102-I106 WeakPolarHBondContact O-CD1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.36Å; G103-I106 PolarHBondContact O-N 3.31Å; I106-T109 PolarHBondContact O-N 2.96Å; I106-I110 HydrophobicContact CG2-CD1 3.84Å; I106-I110 VanDerWaalsContact O-CG1 3.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.35Å; I106-I110 PolarHBondContact O-N 3.47Å
107	F	60.6	Low	52.7	Low	106 Å²	106	79.9 Å²	79.9	47%	0.465	46%	0.46	S	S	.	.	H	α-helix	trans	-61	-49.3	176.4	179.1	-97	0	0	0	112.4	G103 V104 L105 T109 I110 V111	G103-F107 WeakPolarHBondContact O-CB 3.32Å; G103-F107 PolarHBondContact O-N 2.82Å; V104-F107 PolarHBondContact O-N 3.46Å; L105-F107 VanDerWaalsContact C-N 3.32Å; L105-F107 PolarHBondContact O-N 2.96Å; F107-T109 VanDerWaalsContact C-N 3.27Å; F107-T109 PolarHBondContact O-N 3.39Å; F107-I110 PolarHBondContact O-N 2.57Å; F107-V111 HydrophobicContact CD1-CG2 4.11Å; F107-V111 HydrophobicContact CE1-CG2 3.7Å; F107-V111 HydrophobicContact CE2-CG2 4.14Å; F107-V111 HydrophobicContact CZ-CG2 3.72Å; F107-V111 WeakPolarHBondContact O-CG2 3.29Å; F107-V111 PolarHBondContact O-N 2.89Å
108	L	54.7	Low	52.2	Low	90 Å²	90	83.4 Å²	83.4	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-59.1	-40.5	176.7	-97.7	150.3	0	0	0	111.4	V104 L105 V111 V112	V104-L108 HydrophobicContact CG1-CD1 3.8Å; V104-L108 WeakPolarHBondContact O-CB 3.37Å; V104-L108 PolarHBondContact O-N 2.78Å; L105-L108 PolarHBondContact O-N 3.37Å; L108-V111 PolarHBondContact O-N 3.44Å; L108-V112 WeakPolarHBondContact O-CB 3.32Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 3.03Å
109	T	57.2	Low	52.4	Low	83 Å²	83	84.3 Å²	84.3	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-46	178.2	-55.2	0	0	0	0	110.4	L105 I106 F107 V111 V112 S113	L105-T109 WeakPolarHBondContact O-CB 3.3Å; L105-T109 PolarHBondContact O-N 2.91Å; L105-T109 PolarHBondContact O-OG1 2.87Å; I106-T109 PolarHBondContact O-N 2.96Å; F107-T109 VanDerWaalsContact C-N 3.27Å; F107-T109 PolarHBondContact O-N 3.39Å; T109-V111 VanDerWaalsContact C-N 3.34Å; T109-V111 PolarHBondContact O-N 3.34Å; T109-V112 PolarHBondContact O-N 3.27Å; T109-S113 WeakPolarHBondContact O-CB 3.3Å; T109-S113 PolarHBondContact O-N 3.38Å; T109-S113 PolarHBondContact O-OG 3.46Å
110	I	59.9	Low	52.5	Low	86 Å²	86	85.5 Å²	85.5	44%	0.441	49%	0.489	S	S	.	.	H	α-helix	trans	-60.5	-44.8	176.3	-66.8	164.6	0	0	0	110.8	I106 F107 A114	I106-I110 HydrophobicContact CG2-CD1 3.84Å; I106-I110 VanDerWaalsContact O-CG1 3.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.35Å; I106-I110 PolarHBondContact O-N 3.47Å; F107-I110 PolarHBondContact O-N 2.57Å; I110-A114 VanDerWaalsContact O-CB 3.3Å; I110-A114 WeakPolarHBondContact O-CB 3.47Å; I110-A114 PolarHBondContact O-N 3.25Å
111	V	56.6	Low	52.3	Low	52 Å²	52	88.3 Å²	88.3	32%	0.315	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-47.4	178.6	171.5	0	0	0	0	111.3	F107 L108 T109 A114 I115	F107-V111 HydrophobicContact CD1-CG2 4.11Å; F107-V111 HydrophobicContact CE1-CG2 3.7Å; F107-V111 HydrophobicContact CE2-CG2 4.14Å; F107-V111 HydrophobicContact CZ-CG2 3.72Å; F107-V111 WeakPolarHBondContact O-CG2 3.29Å; F107-V111 PolarHBondContact O-N 2.89Å; L108-V111 PolarHBondContact O-N 3.44Å; T109-V111 VanDerWaalsContact C-N 3.34Å; T109-V111 PolarHBondContact O-N 3.34Å; V111-A114 PolarHBondContact O-N 3.19Å; V111-I115 HydrophobicContact CG1-CD1 3.79Å; V111-I115 VanDerWaalsContact O-CG1 3.29Å; V111-I115 WeakPolarHBondContact O-CG1 3.21Å; V111-I115 PolarHBondContact O-N 3.42Å
112	V	59.7	Low	52.3	Low	89 Å²	89	88.6 Å²	88.6	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-44.7	178.9	170.5	0	0	0	0	110.8	L108 T109 A114 I115 A116	L108-V112 WeakPolarHBondContact O-CB 3.32Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 3.03Å; T109-V112 PolarHBondContact O-N 3.27Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 2.81Å; V112-I115 PolarHBondContact O-N 3.46Å; V112-A116 WeakPolarHBondContact O-CB 3.34Å; V112-A116 PolarHBondContact O-N 3.13Å
113	S	53.6	Low	52.5	Low	54 Å²	54	87.7 Å²	87.7	38%	0.378	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-41.7	175.4	-64.2	0	0	0	0	111.8	T109 I115 A116 I117	T109-S113 WeakPolarHBondContact O-CB 3.3Å; T109-S113 PolarHBondContact O-N 3.38Å; T109-S113 PolarHBondContact O-OG 3.46Å; S113-I115 VanDerWaalsContact C-N 3.33Å; S113-I115 PolarHBondContact O-N 2.68Å; S113-A116 PolarHBondContact O-N 2.84Å; S113-I117 WeakPolarHBondContact O-CB 3.44Å; S113-I117 WeakPolarHBondContact O-CD1 3.17Å; S113-I117 WeakPolarHBondContact O-CG1 3.35Å; S113-I117 PolarHBondContact O-N 2.95Å
114	A	49.3	Very low	52.4	Low	58 Å²	58	90.3 Å²	90.3	48%	0.479	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-38.7	176.8	0	0	0	0	0	112.3	I110 V111 V112 K118	I110-A114 VanDerWaalsContact O-CB 3.3Å; I110-A114 WeakPolarHBondContact O-CB 3.47Å; I110-A114 PolarHBondContact O-N 3.25Å; V111-A114 PolarHBondContact O-N 3.19Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 2.81Å; A114-K118 WeakPolarHBondContact O-CB 3.46Å; A114-K118 PolarHBondContact O-N 3.04Å
115	I	48.5	Very low	51.9	Low	89 Å²	89	91.4 Å²	91.4	46%	0.456	52%	0.521	S	S	.	.	H	α-helix	trans	-68.5	-46	176.3	-67.8	167.1	0	0	0	111	V111 V112 S113 I117 K118 I119	V111-I115 HydrophobicContact CG1-CD1 3.79Å; V111-I115 VanDerWaalsContact O-CG1 3.29Å; V111-I115 WeakPolarHBondContact O-CG1 3.21Å; V111-I115 PolarHBondContact O-N 3.42Å; V112-I115 PolarHBondContact O-N 3.46Å; S113-I115 VanDerWaalsContact C-N 3.33Å; S113-I115 PolarHBondContact O-N 2.68Å; I115-I117 PolarHBondContact O-N 3.04Å; I115-K118 WeakPolarHBondContact O-CB 3.42Å; I115-K118 PolarHBondContact O-N 3.44Å; I115-I119 HydrophobicContact CG2-CD1 3.58Å; I115-I119 HydrophobicContact CG2-CG1 4.33Å; I115-I119 WeakPolarHBondContact O-CG1 3.29Å; I115-I119 PolarHBondContact O-N 2.94Å
116	A	41.2	Very low	51.9	Low	32 Å²	32	91.3 Å²	91.3	26%	0.264	52%	0.523	S	S	.	.	H	α-helix	trans	-57.6	-48.2	178.3	0	0	0	0	0	111.5	V112 S113 K118 I119 G120 V121	V112-A116 WeakPolarHBondContact O-CB 3.34Å; V112-A116 PolarHBondContact O-N 3.13Å; S113-A116 PolarHBondContact O-N 2.84Å; A116-K118 PolarHBondContact O-N 3.27Å; A116-I119 PolarHBondContact O-N 2.88Å; A116-I119 VanDerWaalsContact O-N 3.13Å; A116-G120 PolarHBondContact O-N 2.99Å; A116-V121 PolarHBondContact O-N 3.2Å
117	I	47.5	Very low	51.3	Low	91 Å²	91	91.3 Å²	91.3	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-59.4	-32.4	175.8	-67	165	0	0	0	112	K35 S113 I115	K35-I117 HydrophobicContact CD-CG2 4.18Å; K35-I117 VanDerWaalsContact NZ-CG2 3.32Å; S113-I117 WeakPolarHBondContact O-CB 3.44Å; S113-I117 WeakPolarHBondContact O-CD1 3.17Å; S113-I117 WeakPolarHBondContact O-CG1 3.35Å; S113-I117 PolarHBondContact O-N 2.95Å; I115-I117 PolarHBondContact O-N 3.04Å
118	K	40.1	Very low	50.6	Low	187 Å²	187	90.3 Å²	90.3	81%	0.813	53%	0.532	S	S	*	.	H	α-helix	trans	-77.8	-33.2	179	-170.5	173.3	-178.4	178.6	0	112.8	A114 I115 A116	A114-K118 WeakPolarHBondContact O-CB 3.46Å; A114-K118 PolarHBondContact O-N 3.04Å; I115-K118 WeakPolarHBondContact O-CB 3.42Å; I115-K118 PolarHBondContact O-N 3.44Å; A116-K118 PolarHBondContact O-N 3.27Å
119	I	47.9	Very low	50.3	Low	125 Å²	125	90.3 Å²	90.3	64%	0.641	54%	0.537	S	S	*	.	H	α-helix	trans	-86	-16.5	-179.9	-58.5	171.4	0	0	0	111.3	I115 A116 V121	I115-I119 HydrophobicContact CG2-CD1 3.58Å; I115-I119 HydrophobicContact CG2-CG1 4.33Å; I115-I119 WeakPolarHBondContact O-CG1 3.29Å; I115-I119 PolarHBondContact O-N 2.94Å; A116-I119 PolarHBondContact O-N 2.88Å; A116-I119 VanDerWaalsContact O-N 3.13Å; I119-V121 HydrophobicContact CG2-CG2 4.13Å
120	G	49.5	Very low	49.7	Very low	69 Å²	69	90.9 Å²	90.9	71%	0.711	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	27.7	-179.8	0	0	0	0	0	113.2	A116	A116-G120 PolarHBondContact O-N 2.99Å
121	V	42.9	Very low	48.8	Very low	159 Å²	159	91.4 Å²	91.4	96%	0.964	55%	0.548	S	S	*	.			trans	-96.2	0	167.4	-174.9	0	0	0	0	108.2	A116 I119	A116-V121 PolarHBondContact O-N 3.2Å; I119-V121 HydrophobicContact CG2-CG2 4.13Å

Retrieved 121 of 121 residues in 732.6 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).