A0A077ZLP3_TRITR Loading...

Homeobox domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

						>A0A077ZLP3_TRITR|A0A077ZLP3
MPLKIQKSDSIKEMIFPKGLDLDRPKRPRTVFSDEQLIKLENVFRKTQYVVGKERHRLSKLLGLTDQQVKVWFQNRRTKLRKGKSRESIEVNLLKLSEAERLVCPLLREQQSWSVMIFVHKSVMSAPWSRLKVTLFLI
					

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	47.3	Very low	48.6	Very low	238 Å²	238	164.7 Å²	164.7	100%	1.172	86%	0.862	S	S	*	*				0	126	0	-71.5	-161.9	169.2	0	0	108.8
2	P	53.5	Low	49.3	Very low	133 Å²	133	166 Å²	166	86%	0.864	86%	0.855	S	S	*	*			trans	-80.7	125.2	-179.8	30.3	-29.9	0	0	0	111
3	L	52.1	Low	49.6	Very low	169 Å²	169	165.1 Å²	165.1	89%	0.885	85%	0.845	S	S	*	*			trans	-72.9	127.1	169.9	-72.1	163.9	0	0	0	109
4	K	50.7	Low	50.4	Low	207 Å²	207	163.6 Å²	163.6	90%	0.9	84%	0.835	S	S	*	*			trans	-101.4	108.7	-176.5	-137.5	159.8	-171.5	170.5	0	109.1
5	I	49.5	Very low	51.4	Low	150 Å²	150	161.7 Å²	161.7	77%	0.769	83%	0.826	S	S	*	*			trans	-115.3	117.8	174.8	-59.8	168.5	0	0	0	107.2
6	Q	37.1	Very low	52.2	Low	187 Å²	187	159.6 Å²	159.6	87%	0.874	81%	0.809	S	S	*	*			trans	-83.7	112.6	178.7	-74.2	-168.8	-31.5	0	0	110.9
7	K	51.1	Low	53.2	Low	197 Å²	197	155 Å²	155	86%	0.857	79%	0.793	S	S	*	*			trans	-147.1	143.1	155	-76.1	-166.1	178.1	174.9	0	109.8
8	S	48.8	Very low	53.8	Low	110 Å²	110	156.8 Å²	156.8	77%	0.769	79%	0.794	S	S	*	*	S	Bend	trans	-53.6	142.5	-169.7	55.1	0	0	0	0	116.1
9	D	44.1	Very low	54.3	Low	165 Å²	165	152.7 Å²	152.7	88%	0.882	80%	0.795	S	S	*	*	S	Bend	trans	49.1	68	156	-64.4	-18	0	0	0	117.9
10	S	47.8	Very low	54.9	Low	104 Å²	104	149.9 Å²	149.9	73%	0.727	78%	0.78	S	S	*	*				159.6	92.6	124.1	-161.5	0	0	0	0	107.3	K12	S10-K12 VanDerWaalsContact C-N 3.29Å; S10-K12 PolarHBondContact O-N 2.85Å
11	I	52.4	Low	55.5	Low	152 Å²	152	147.7 Å²	147.7	78%	0.779	77%	0.77	S	S	*	*			trans	-69.3	88.6	177.4	-57	175.6	0	0	0	107.4	E13	I11-E13 VanDerWaalsContact C-N 3.3Å; I11-E13 HydrophobicContact CG2-CG 3.93Å; I11-E13 PolarHBondContact O-N 3.41Å; I11-E13 VanDerWaalsContact O-N 3.09Å
12	K	57.2	Low	56.7	Low	180 Å²	180	143 Å²	143	78%	0.783	75%	0.749	S	S	*	*			trans	-73.2	94.9	158.7	-81.1	-178.4	-178.7	175.6	0	106.6	S10 M14	S10-K12 VanDerWaalsContact C-N 3.29Å; S10-K12 PolarHBondContact O-N 2.85Å; K12-M14 PolarHBondContact O-N 3.45Å
13	E	52.6	Low	57.8	Low	154 Å²	154	144 Å²	144	72%	0.72	75%	0.747	S	S	*	*			trans	-55.4	107.5	165.2	-66.6	-164	164.6	0	0	107.8	I11 I15	I11-E13 VanDerWaalsContact C-N 3.3Å; I11-E13 HydrophobicContact CG2-CG 3.93Å; I11-E13 PolarHBondContact O-N 3.41Å; I11-E13 VanDerWaalsContact O-N 3.09Å; E13-I15 HydrophobicContact CB-CG1 4.3Å; E13-I15 PolarHBondContact O-N 3.01Å
14	M	60.8	Low	58.9	Low	144 Å²	144	144.1 Å²	144.1	71%	0.709	74%	0.735	S	S	*	*			trans	-69.2	85.5	164.8	-84.7	177	51.1	0	0	107.1	K12 F16	K12-M14 PolarHBondContact O-N 3.45Å; M14-F16 VanDerWaalsContact C-N 3.3Å; M14-F16 HydrophobicContact CE-CE2 3.98Å; M14-F16 HydrophobicContact CE-CZ 4.17Å; M14-F16 PolarHBondContact O-N 3.32Å
15	I	66	Low	60.2	Low	135 Å²	135	139.8 Å²	139.8	69%	0.692	73%	0.729	S	S	*	*			trans	-68	97.8	166.2	-59.1	170.1	0	0	0	105.3	E13 P17	E13-I15 HydrophobicContact CB-CG1 4.3Å; E13-I15 PolarHBondContact O-N 3.01Å; I15-P17 VanDerWaalsContact O-CD 3.3Å; I15-P17 WeakPolarHBondContact O-CD 3.2Å
16	F	64.8	Low	61.6	Low	129 Å²	129	141.7 Å²	141.7	57%	0.566	73%	0.731	S	S	*	*			trans	-54.1	117.5	166.3	-89.9	-93.3	0	0	0	106.6	M14 K18 L20	M14-F16 VanDerWaalsContact C-N 3.3Å; M14-F16 HydrophobicContact CE-CE2 3.98Å; M14-F16 HydrophobicContact CE-CZ 4.17Å; M14-F16 PolarHBondContact O-N 3.32Å; F16-K18 PolarHBondContact O-N 2.88Å; F16-L20 HydrophobicContact CD1-CB 4.44Å; F16-L20 HydrophobicContact CD1-CD1 3.87Å; F16-L20 HydrophobicContact CE1-CD1 4.34Å
17	P	69.4	Low	63.6	Low	81 Å²	81	142.7 Å²	142.7	53%	0.526	73%	0.727	S	S	.	*			trans	-56.9	131.2	177.3	22.3	-31.6	0	0	0	106.9	I15 G19 L20	I15-P17 VanDerWaalsContact O-CD 3.3Å; I15-P17 WeakPolarHBondContact O-CD 3.2Å; P17-G19 PolarHBondContact O-N 2.95Å; P17-L20 HydrophobicContact CG-CD1 3.97Å; P17-L20 HydrophobicContact CG-CG 4.12Å; P17-L20 PolarHBondContact O-N 3.44Å
18	K	62.7	Low	65.1	Low	187 Å²	187	138.9 Å²	138.9	81%	0.813	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-53	-13.8	179.4	-61.7	-179.6	178.3	-178.9	0	113.1	F16 L20 D21	F16-K18 PolarHBondContact O-N 2.88Å; K18-L20 PolarHBondContact O-N 3.25Å; K18-D21 PolarHBondContact O-N 3.37Å
19	G	64	Low	66.9	Low	79 Å²	79	144.7 Å²	144.7	81%	0.814	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-70.2	-7.5	169.5	0	0	0	0	0	115.7	P17	P17-G19 PolarHBondContact O-N 2.95Å
20	L	66.2	Low	68.9	Low	96 Å²	96	140.4 Å²	140.4	50%	0.503	71%	0.707	S	S	.	*	G	3₁₀ helix	trans	-103.1	44.1	170.6	-63.4	177.1	0	0	0	110.5	F16 P17 K18 L22	F16-L20 HydrophobicContact CD1-CB 4.44Å; F16-L20 HydrophobicContact CD1-CD1 3.87Å; F16-L20 HydrophobicContact CE1-CD1 4.34Å; P17-L20 HydrophobicContact CG-CD1 3.97Å; P17-L20 HydrophobicContact CG-CG 4.12Å; P17-L20 PolarHBondContact O-N 3.44Å; K18-L20 PolarHBondContact O-N 3.25Å; L20-L22 PolarHBondContact O-N 3.21Å
21	D	68.4	Low	71.1	Confident	104 Å²	104	141.7 Å²	141.7	56%	0.556	71%	0.71	S	S	*	*			trans	-61.6	88	167.2	-75.3	-23.8	0	0	0	108.6	K18 D23 R24	K18-D21 PolarHBondContact O-N 3.37Å; D21-D23 PolarHBondContact O-N 2.99Å; D21-R24 HydrophobicContact CB-CB 4.09Å; D21-R24 WeakPolarHBondContact O-CB 3.5Å; D21-R24 PolarHBondContact O-N 3.34Å
22	L	72.6	Confident	73.1	Confident	140 Å²	140	136.4 Å²	136.4	73%	0.733	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-22.3	172.6	-62.5	-178.6	0	0	0	110.9	L20 R24	L20-L22 PolarHBondContact O-N 3.21Å; L22-R24 VanDerWaalsContact C-N 3.34Å
23	D	74.8	Confident	75	Confident	154 Å²	154	130.6 Å²	130.6	82%	0.824	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-13.6	176.5	-59.7	-35.7	0	0	0	113.2	D21 P25	D21-D23 PolarHBondContact O-N 2.99Å; D23-P25 VanDerWaalsContact O-CD 3.31Å; D23-P25 WeakPolarHBondContact O-CD 3.47Å
24	R	76	Confident	77.2	Confident	172 Å²	172	129.2 Å²	129.2	65%	0.649	66%	0.661	S	S	*	*	S	Bend	trans	-64.1	124	176.3	-174.8	178.4	180	-145.9	5.6	108.8	D21 L22 K26	D21-R24 HydrophobicContact CB-CB 4.09Å; D21-R24 WeakPolarHBondContact O-CB 3.5Å; D21-R24 PolarHBondContact O-N 3.34Å; L22-R24 VanDerWaalsContact C-N 3.34Å; R24-K26 PolarHBondContact O-N 3.12Å
25	P	77.9	Confident	78.9	Confident	116 Å²	116	128 Å²	128	75%	0.753	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-53.4	118	178.1	-27	34.4	0	0	0	110.9	D23 R27	D23-P25 VanDerWaalsContact O-CD 3.31Å; D23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-R27 PolarHBondContact O-N 2.99Å
26	K	79.7	Confident	80.4	Confident	189 Å²	189	123.4 Å²	123.4	82%	0.822	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.3	174.1	-67.1	177.9	-176	173.7	0	107.3	R24	R24-K26 PolarHBondContact O-N 3.12Å
27	R	78.6	Confident	82	Confident	208 Å²	208	120.4 Å²	120.4	79%	0.785	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-54.3	134.9	174.1	-69.7	-178.9	-178.6	147.5	-1.4	108.8	P25 R29	P25-R27 PolarHBondContact O-N 2.99Å; R27-R29 PolarHBondContact O-N 3.46Å
28	P	83.1	Confident	83.4	Confident	117 Å²	117	121.4 Å²	121.4	76%	0.76	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-55.9	133.9	178.7	22.8	-32.7	0	0	0	109.5	T30	P28-T30 PolarHBondContact O-N 2.71Å
29	R	85.8	Confident	85	Confident	233 Å²	233	115.8 Å²	115.8	88%	0.879	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-70.1	127.3	176.3	-177.5	173.7	-73	159.4	-2.5	107.9	R27	R27-R29 PolarHBondContact O-N 3.46Å
30	T	86.5	Confident	86.7	Confident	74 Å²	74	112 Å²	112	45%	0.454	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-90.3	136.9	174.5	49.7	0	0	0	0	109.2	P28	P28-T30 PolarHBondContact O-N 2.71Å
31	V	93.1	Very high	88.2	Confident	132 Å²	132	110.1 Å²	110.1	80%	0.8	54%	0.544	S	S	*	.			trans	-112.1	129.9	172.8	-178.1	0	0	0	0	106.9
32	F	95.5	Very high	89.6	Confident	41 Å²	41	108.9 Å²	108.9	18%	0.18	54%	0.538	C	S	.	.			trans	-93.2	143.3	175.9	-56.9	-59.5	0	0	0	109.2	Q36 L37 L64 Q68 W72	F32-Q36 VanDerWaalsContact CA-OE1 3.3Å; F32-Q36 HydrophobicContact CB-CB 4.29Å; F32-L37 HydrophobicContact CB-CD2 3.83Å; F32-L37 HydrophobicContact CB-CG 3.97Å; F32-L37 HydrophobicContact CD2-CD2 4.08Å; F32-L37 HydrophobicContact CG-CD2 4.36Å; F32-L64 HydrophobicContact CD1-CD1 3.95Å; F32-L64 HydrophobicContact CD1-CD2 3.9Å; F32-L64 HydrophobicContact CE1-CD1 3.86Å; F32-L64 HydrophobicContact CE1-CD2 3.87Å; F32-Q68 HydrophobicContact CE1-CB 4.23Å; F32-Q68 HydrophobicContact CZ-CB 4.33Å; F32-W72 AromaticContact CD2-CD1 3.74Å; F32-W72 HydrophobicContact CE2-CB 4.33Å; F32-W72 AromaticContact CE2-CD1 3.55Å; F32-W72 HydrophobicContact CE2-CG 4.32Å; F32-W72 HydrophobicContact CZ-CB 4.49Å
33	S	97.4	Very high	90.8	Very high	57 Å²	57	103.9 Å²	103.9	40%	0.399	51%	0.513	S	S	.	.			trans	-69	158.9	171.5	71.4	0	0	0	0	111.1	E35 Q36 L37	S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 PolarHBondContact O-N 3.01Å; S33-Q36 WeakPolarHBondContact O-CB 3.49Å; S33-Q36 PolarHBondContact O-N 2.74Å; S33-Q36 VanDerWaalsContact O-N 3.1Å; S33-Q36 VanDerWaalsContact OG-CG 3.29Å; S33-Q36 WeakPolarHBondContact OG-CG 3.25Å; S33-Q36 PolarHBondContact OG-N 3.07Å; S33-L37 WeakPolarHBondContact O-CG 3.43Å; S33-L37 PolarHBondContact O-N 3.26Å
34	D	97.4	Very high	91.9	Very high	126 Å²	126	96.9 Å²	96.9	67%	0.674	48%	0.475	S	S	*	.	H	α-helix	trans	-60	-38.4	178.1	-66.1	-34.6	0	0	0	112	Q36 L37 I38	D34-Q36 VanDerWaalsContact C-N 3.34Å; D34-Q36 PolarHBondContact O-N 3.45Å; D34-L37 PolarHBondContact O-N 3.41Å; D34-I38 VanDerWaalsContact O-CG1 3.27Å; D34-I38 WeakPolarHBondContact O-CG1 3.38Å; D34-I38 PolarHBondContact O-N 3.46Å
35	E	97.6	Very high	92.9	Very high	119 Å²	119	98.3 Å²	98.3	56%	0.556	48%	0.48	S	S	*	.	H	α-helix	trans	-60.9	-42.3	174.9	-167	-165.8	163.2	0	0	112	S33 I38 K39	S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 PolarHBondContact O-N 3.01Å; E35-I38 PolarHBondContact O-N 2.82Å; E35-K39 WeakPolarHBondContact O-CG 3.24Å; E35-K39 PolarHBondContact O-N 2.78Å; E35-K39 VanDerWaalsContact O-N 3.11Å; E35-K39 VanDerWaalsContact OE1-CE 3.24Å; E35-K39 WeakPolarHBondContact OE1-CE 3.23Å; E35-K39 IonicContact OE1-NZ 2.63Å; E35-K39 PolarHBondContact OE1-NZ 2.97Å
36	Q	98	Very high	93.8	Very high	38 Å²	38	101.8 Å²	101.8	18%	0.178	48%	0.484	C	S	.	.	H	α-helix	trans	-62.7	-44.4	175.2	-73	170.6	-23	0	0	110.9	F32 S33 D34 K39 L40 L62	F32-Q36 VanDerWaalsContact CA-OE1 3.3Å; F32-Q36 HydrophobicContact CB-CB 4.29Å; S33-Q36 WeakPolarHBondContact O-CB 3.49Å; S33-Q36 PolarHBondContact O-N 2.74Å; S33-Q36 VanDerWaalsContact O-N 3.1Å; S33-Q36 VanDerWaalsContact OG-CG 3.29Å; S33-Q36 WeakPolarHBondContact OG-CG 3.25Å; S33-Q36 PolarHBondContact OG-N 3.07Å; D34-Q36 VanDerWaalsContact C-N 3.34Å; D34-Q36 PolarHBondContact O-N 3.45Å; Q36-K39 PolarHBondContact O-N 3.39Å; Q36-L40 WeakPolarHBondContact O-CB 3.47Å; Q36-L40 WeakPolarHBondContact O-CD1 3.23Å; Q36-L40 WeakPolarHBondContact O-CG 3.29Å; Q36-L40 PolarHBondContact O-N 3.41Å; Q36-L62 HydrophobicContact CG-CB 4.49Å; Q36-L62 HydrophobicContact CG-CD2 4.5Å; Q36-L62 PolarHBondContact NE2-O 3.34Å
37	L	97.8	Very high	94.6	Very high	65 Å²	65	95.5 Å²	95.5	34%	0.34	46%	0.461	S	S	.	.	H	α-helix	trans	-62.4	-43.5	178.9	-68.4	175.3	0	0	0	112.1	F32 S33 D34 L40 E41	F32-L37 HydrophobicContact CB-CD2 3.83Å; F32-L37 HydrophobicContact CB-CG 3.97Å; F32-L37 HydrophobicContact CD2-CD2 4.08Å; F32-L37 HydrophobicContact CG-CD2 4.36Å; S33-L37 WeakPolarHBondContact O-CG 3.43Å; S33-L37 PolarHBondContact O-N 3.26Å; D34-L37 PolarHBondContact O-N 3.41Å; L37-L40 PolarHBondContact O-N 3.37Å; L37-E41 WeakPolarHBondContact O-CB 3.34Å; L37-E41 PolarHBondContact O-N 2.73Å
38	I	97.8	Very high	95.5	Very high	103 Å²	103	89.7 Å²	89.7	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-48	177.2	-69	163.5	0	0	0	110.5	D34 E35 L40 E41 N42	D34-I38 VanDerWaalsContact O-CG1 3.27Å; D34-I38 WeakPolarHBondContact O-CG1 3.38Å; D34-I38 PolarHBondContact O-N 3.46Å; E35-I38 PolarHBondContact O-N 2.82Å; I38-L40 PolarHBondContact O-N 3.28Å; I38-E41 PolarHBondContact O-N 3.43Å; I38-N42 WeakPolarHBondContact O-CB 3.29Å; I38-N42 VanDerWaalsContact O-CG 3.24Å; I38-N42 PolarHBondContact O-N 3.28Å; I38-N42 PolarHBondContact O-ND2 3.02Å
39	K	97.5	Very high	96.2	Very high	68 Å²	68	91.1 Å²	91.1	30%	0.296	44%	0.435	S	S	.	.	H	α-helix	trans	-63.6	-41.7	178.3	-72.1	176.6	-174.8	170.1	0	111.9	E35 Q36 N42 V43 L62	E35-K39 WeakPolarHBondContact O-CG 3.24Å; E35-K39 PolarHBondContact O-N 2.78Å; E35-K39 VanDerWaalsContact O-N 3.11Å; E35-K39 VanDerWaalsContact OE1-CE 3.24Å; E35-K39 WeakPolarHBondContact OE1-CE 3.23Å; E35-K39 IonicContact OE1-NZ 2.63Å; E35-K39 PolarHBondContact OE1-NZ 2.97Å; Q36-K39 PolarHBondContact O-N 3.39Å; K39-N42 PolarHBondContact O-N 3.19Å; K39-V43 WeakPolarHBondContact O-CG2 3.34Å; K39-V43 PolarHBondContact O-N 2.78Å; K39-V43 VanDerWaalsContact O-N 3.08Å; K39-L62 HydrophobicContact CB-CD2 3.67Å; K39-L62 HydrophobicContact CD-CD2 3.42Å; K39-L62 VanDerWaalsContact CD-CD2 3.42Å; K39-L62 HydrophobicContact CG-CD2 4.17Å
40	L	98.2	Very high	96.7	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-44.7	175.7	-74.8	163.6	0	0	0	111.6	Q36 L37 I38 V43 F44 L58 L62 L64 V69 W72 F73	Q36-L40 WeakPolarHBondContact O-CB 3.47Å; Q36-L40 WeakPolarHBondContact O-CD1 3.23Å; Q36-L40 WeakPolarHBondContact O-CG 3.29Å; Q36-L40 PolarHBondContact O-N 3.41Å; L37-L40 PolarHBondContact O-N 3.37Å; I38-L40 PolarHBondContact O-N 3.28Å; L40-V43 PolarHBondContact O-N 3.36Å; L40-F44 WeakPolarHBondContact O-CB 3.39Å; L40-F44 PolarHBondContact O-N 3.41Å; L40-L58 HydrophobicContact CD2-CD2 4.05Å; L40-L62 HydrophobicContact CD1-CD1 4.32Å; L40-L62 HydrophobicContact CD2-CD1 3.68Å; L40-L62 HydrophobicContact CG-CD1 3.65Å; L40-L64 HydrophobicContact CD1-CD1 4.38Å; L40-V69 HydrophobicContact CD2-CG1 4.48Å; L40-W72 HydrophobicContact CB-CD2 3.95Å; L40-W72 HydrophobicContact CB-CE3 3.99Å; L40-W72 HydrophobicContact CB-CH2 3.66Å; L40-W72 HydrophobicContact CB-CZ2 3.56Å; L40-W72 HydrophobicContact CB-CZ3 3.86Å; L40-W72 HydrophobicContact CD1-CD2 3.89Å; L40-W72 HydrophobicContact CD1-CG 3.87Å; L40-W72 HydrophobicContact CD2-CD2 4.16Å; L40-W72 HydrophobicContact CD2-CE3 4.05Å; L40-W72 HydrophobicContact CD2-CG 4.49Å; L40-W72 HydrophobicContact CG-CD2 4.22Å; L40-W72 HydrophobicContact CG-CE3 4.43Å; L40-F73 HydrophobicContact CD2-CE2 4.03Å
41	E	98.2	Very high	97.1	Very high	56 Å²	56	83 Å²	83	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-39.8	178.1	-166.2	64.2	-153.5	0	0	111.6	L37 I38 V43 F44 R45 R76	L37-E41 WeakPolarHBondContact O-CB 3.34Å; L37-E41 PolarHBondContact O-N 2.73Å; I38-E41 PolarHBondContact O-N 3.43Å; E41-V43 VanDerWaalsContact C-N 3.32Å; E41-V43 PolarHBondContact O-N 3.24Å; E41-F44 WeakPolarHBondContact O-CB 3.48Å; E41-F44 PolarHBondContact O-N 2.85Å; E41-F44 VanDerWaalsContact O-N 3.11Å; E41-R45 WeakPolarHBondContact O-CG 3.21Å; E41-R45 PolarHBondContact O-N 3.24Å; E41-R76 IonicContact OE1-CZ 3.76Å; E41-R76 IonicContact OE1-NE 2.79Å; E41-R76 PolarHBondContact OE1-NE 3.48Å; E41-R76 VanDerWaalsContact OE1-NE 3.14Å; E41-R76 IonicContact OE1-NH2 3.83Å; E41-R76 PolarHBondContact OE1-NH2 3.32Å; E41-R76 WeakPolarHBondContact OE2-CD 3.45Å; E41-R76 IonicContact OE2-CZ 2.73Å; E41-R76 IonicContact OE2-NE 3.09Å; E41-R76 PolarHBondContact OE2-NE 3.19Å; E41-R76 IonicContact OE2-NH2 3.14Å
42	N	97.8	Very high	97.3	Very high	79 Å²	79	78.5 Å²	78.5	42%	0.422	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-41.1	175.2	-75.8	-19.7	0	0	0	112.3	I38 K39	I38-N42 WeakPolarHBondContact O-CB 3.29Å; I38-N42 VanDerWaalsContact O-CG 3.24Å; I38-N42 PolarHBondContact O-N 3.28Å; I38-N42 PolarHBondContact O-ND2 3.02Å; K39-N42 PolarHBondContact O-N 3.19Å
43	V	97.3	Very high	97.3	Very high	35 Å²	35	85 Å²	85	21%	0.212	42%	0.419	C	S	.	.	H	α-helix	trans	-69.5	-41	172.9	179.7	0	0	0	0	110.8	K39 L40 E41 R45 K46 T47 V50 L58 F73	K39-V43 WeakPolarHBondContact O-CG2 3.34Å; K39-V43 PolarHBondContact O-N 2.78Å; K39-V43 VanDerWaalsContact O-N 3.08Å; L40-V43 PolarHBondContact O-N 3.36Å; E41-V43 VanDerWaalsContact C-N 3.32Å; E41-V43 PolarHBondContact O-N 3.24Å; V43-R45 VanDerWaalsContact C-N 3.28Å; V43-R45 PolarHBondContact O-N 3.37Å; V43-K46 WeakPolarHBondContact O-CB 3.47Å; V43-K46 PolarHBondContact O-N 2.63Å; V43-T47 HydrophobicContact CG1-CG2 4.12Å; V43-T47 PolarHBondContact O-N 3.49Å; V43-V50 HydrophobicContact CG1-CG1 4.05Å; V43-L58 HydrophobicContact CB-CD2 4.27Å; V43-L58 HydrophobicContact CG1-CD2 4.14Å; V43-L58 HydrophobicContact CG2-CD1 3.96Å; V43-L58 HydrophobicContact CG2-CD2 4.23Å; V43-F73 HydrophobicContact CB-CZ 4.31Å; V43-F73 HydrophobicContact CG1-CZ 3.93Å
44	F	97.9	Very high	97.3	Very high	7 Å²	7	86.6 Å²	86.6	3%	0.031	42%	0.42	C	S	.	.	H	α-helix	trans	-59.5	-37	179	-171.7	-99.2	0	0	0	113.1	L40 E41 K46 T47 Q48 W72 F73 R76 R77 L80	L40-F44 WeakPolarHBondContact O-CB 3.39Å; L40-F44 PolarHBondContact O-N 3.41Å; E41-F44 WeakPolarHBondContact O-CB 3.48Å; E41-F44 PolarHBondContact O-N 2.85Å; E41-F44 VanDerWaalsContact O-N 3.11Å; F44-K46 VanDerWaalsContact C-N 3.28Å; F44-K46 PolarHBondContact O-N 2.91Å; F44-T47 WeakPolarHBondContact CA-O 3.47Å; F44-T47 CarbonylContact O-C 3.58Å; F44-T47 VanDerWaalsContact O-C 3.31Å; F44-Q48 HydrophobicContact CE1-CG 4.19Å; F44-Q48 HydrophobicContact CE2-CB 3.94Å; F44-Q48 HydrophobicContact CE2-CG 4.09Å; F44-Q48 HydrophobicContact CZ-CB 4.12Å; F44-Q48 HydrophobicContact CZ-CG 3.83Å; F44-W72 HydrophobicContact CB-CH2 3.96Å; F44-W72 HydrophobicContact CB-CZ3 3.92Å; F44-W72 HydrophobicContact CD2-CZ3 4.09Å; F44-W72 HydrophobicContact CG-CH2 4.34Å; F44-W72 HydrophobicContact CG-CZ3 4.21Å; F44-F73 HydrophobicContact CB-CE1 4.33Å; F44-F73 AromaticContact CD2-CD1 3.8Å; F44-F73 HydrophobicContact CD2-CD1 3.8Å; F44-F73 AromaticContact CD2-CE1 3.85Å; F44-F73 HydrophobicContact CD2-CE1 3.85Å; F44-F73 HydrophobicContact CE2-CD1 4.4Å; F44-R76 HydrophobicContact CD1-CG 3.73Å; F44-R76 HydrophobicContact CD2-CB 4.24Å; F44-R76 HydrophobicContact CD2-CG 3.62Å; F44-R76 HydrophobicContact CE1-CG 3.65Å; F44-R76 HydrophobicContact CE2-CB 4.04Å; F44-R76 HydrophobicContact CE2-CG 3.54Å; F44-R76 HydrophobicContact CG-CG 3.73Å; F44-R76 HydrophobicContact CZ-CB 4.39Å; F44-R76 HydrophobicContact CZ-CG 3.56Å; F44-R77 HydrophobicContact CE2-CG 3.95Å; F44-R77 HydrophobicContact CZ-CG 4.23Å; F44-L80 HydrophobicContact CE1-CD2 4.4Å; F44-L80 HydrophobicContact CZ-CD2 4.22Å
45	R	97.1	Very high	97.3	Very high	201 Å²	201	83.9 Å²	83.9	76%	0.758	40%	0.4	S	S	*	.	H	α-helix	trans	-64.5	-31.4	174.6	-70.9	179.1	77.4	-171.6	5.1	112.6	E41 V43	E41-R45 WeakPolarHBondContact O-CG 3.21Å; E41-R45 PolarHBondContact O-N 3.24Å; V43-R45 VanDerWaalsContact C-N 3.28Å; V43-R45 PolarHBondContact O-N 3.37Å
46	K	97.2	Very high	97.4	Very high	189 Å²	189	82.5 Å²	82.5	82%	0.822	39%	0.394	S	S	*	.	H	α-helix	trans	-81.7	-42.5	176.4	-63.2	177.8	-177.9	-174.7	0	111.9	V43 F44	V43-K46 WeakPolarHBondContact O-CB 3.47Å; V43-K46 PolarHBondContact O-N 2.63Å; F44-K46 VanDerWaalsContact C-N 3.28Å; F44-K46 PolarHBondContact O-N 2.91Å
47	T	96.8	Very high	97.3	Very high	58 Å²	58	87.2 Å²	87.2	36%	0.356	41%	0.41	S	S	.	.			trans	-146.6	127.7	177.8	177.2	0	0	0	0	111.3	V43 F44 Y49 V50 F73	V43-T47 HydrophobicContact CG1-CG2 4.12Å; V43-T47 PolarHBondContact O-N 3.49Å; F44-T47 WeakPolarHBondContact CA-O 3.47Å; F44-T47 CarbonylContact O-C 3.58Å; F44-T47 VanDerWaalsContact O-C 3.31Å; T47-Y49 PolarHBondContact O-N 3.34Å; T47-Y49 PolarHBondContact OG1-N 3.08Å; T47-Y49 PolarHBondContact OG1-O 3.39Å; T47-V50 HydrophobicContact CG2-CG1 4.23Å; T47-F73 WeakPolarHBondContact O-CE1 3.33Å
48	Q	96.9	Very high	97.3	Very high	86 Å²	86	84.4 Å²	84.4	40%	0.402	40%	0.395	S	S	.	.	S	Bend	trans	-79.6	-5.3	177.3	-62	-178.8	-29	0	0	113	F44 R77	F44-Q48 HydrophobicContact CE1-CG 4.19Å; F44-Q48 HydrophobicContact CE2-CB 3.94Å; F44-Q48 HydrophobicContact CE2-CG 4.09Å; F44-Q48 HydrophobicContact CZ-CB 4.12Å; F44-Q48 HydrophobicContact CZ-CG 3.83Å; Q48-R77 PolarHBondContact O-NH1 3.21Å
49	Y	98	Very high	97.3	Very high	147 Å²	147	79.7 Å²	79.7	58%	0.576	37%	0.371	S	S	*	.			trans	-136.2	111.9	-176.3	-63.2	-94.9	0	0	0	110	T47	T47-Y49 PolarHBondContact O-N 3.34Å; T47-Y49 PolarHBondContact OG1-N 3.08Å; T47-Y49 PolarHBondContact OG1-O 3.39Å
50	V	96.4	Very high	97.3	Very high	22 Å²	22	83.8 Å²	83.8	13%	0.133	39%	0.389	C	S	.	.			trans	-97.1	134.1	171.8	-69.6	0	0	0	0	110.3	V43 T47 R55 V69 F73	V43-V50 HydrophobicContact CG1-CG1 4.05Å; T47-V50 HydrophobicContact CG2-CG1 4.23Å; V50-R55 HydrophobicContact CB-CB 4.3Å; V50-R55 HydrophobicContact CG2-CB 4.24Å; V50-R55 HydrophobicContact CG2-CG 4.27Å; V50-V69 HydrophobicContact CG2-CG1 4.13Å; V50-F73 HydrophobicContact CB-CE1 4.36Å; V50-F73 HydrophobicContact CB-CE2 4.46Å; V50-F73 HydrophobicContact CB-CZ 4.31Å; V50-F73 HydrophobicContact CG1-CD1 4.2Å; V50-F73 HydrophobicContact CG1-CD2 4.49Å; V50-F73 HydrophobicContact CG1-CE1 3.53Å; V50-F73 HydrophobicContact CG1-CE2 3.87Å; V50-F73 HydrophobicContact CG1-CZ 3.34Å; V50-F73 HydrophobicContact CG2-CB 4.41Å; V50-F73 HydrophobicContact CG2-CD1 3.93Å; V50-F73 HydrophobicContact CG2-CD2 3.57Å; V50-F73 HydrophobicContact CG2-CE1 4.07Å; V50-F73 HydrophobicContact CG2-CE2 3.72Å; V50-F73 HydrophobicContact CG2-CG 3.69Å; V50-F73 HydrophobicContact CG2-CZ 3.98Å
51	V	95.9	Very high	97.3	Very high	113 Å²	113	88.7 Å²	88.7	69%	0.685	42%	0.415	S	S	*	.			trans	-119.2	151.8	-175.8	-172.1	0	0	0	0	109.4	K53 E54 R55	V51-K53 PolarHBondContact O-N 3.11Å; V51-E54 PolarHBondContact O-N 3.4Å; V51-R55 PolarHBondContact O-N 2.91Å
52	G	96	Very high	97.2	Very high	38 Å²	38	86.6 Å²	86.6	39%	0.392	41%	0.405	S	S	.	.	H	α-helix	trans	10.8	-86.5	174.4	0	0	0	0	0	116.7	R55 H56	G52-R55 PolarHBondContact O-N 3.11Å; G52-H56 WeakPolarHBondContact O-CB 3.36Å; G52-H56 PolarHBondContact O-N 3.34Å
53	K	96.7	Very high	97.2	Very high	179 Å²	179	86.1 Å²	86.1	78%	0.778	42%	0.419	S	S	*	.	H	α-helix	trans	-60	-49.8	-176.3	-172.6	178.5	179.7	-179.5	0	113.5	V51 R55 H56 R57	V51-K53 PolarHBondContact O-N 3.11Å; K53-R55 VanDerWaalsContact C-N 3.35Å; K53-R55 PolarHBondContact O-N 3.39Å; K53-H56 PolarHBondContact O-N 2.87Å; K53-R57 PolarHBondContact O-N 2.88Å
54	E	96.6	Very high	97.2	Very high	90 Å²	90	85.4 Å²	85.4	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-67.9	-37.1	-179.7	-71.6	-49.9	104.2	0	0	112.1	V51 H56 R57 L58	V51-E54 PolarHBondContact O-N 3.4Å; E54-H56 VanDerWaalsContact C-N 3.34Å; E54-R57 PolarHBondContact O-N 2.73Å; E54-R57 IonicContact OE2-CZ 3.99Å; E54-R57 IonicContact OE2-NE 3.41Å; E54-R57 PolarHBondContact OE2-NE 3.14Å; E54-R57 IonicContact OE2-NH2 3.61Å; E54-L58 VanDerWaalsContact O-CB 3.32Å; E54-L58 WeakPolarHBondContact O-CB 3.24Å; E54-L58 PolarHBondContact O-N 3.35Å
55	R	98.1	Very high	97.1	Very high	69 Å²	69	88.7 Å²	88.7	26%	0.26	43%	0.434	S	S	.	.	H	α-helix	trans	-62.3	-43.9	174.4	-172.4	-173.8	67.3	-167.4	-7.2	111.1	V50 V51 G52 K53 L58 S59 D66 V69	V50-R55 HydrophobicContact CB-CB 4.3Å; V50-R55 HydrophobicContact CG2-CB 4.24Å; V50-R55 HydrophobicContact CG2-CG 4.27Å; V51-R55 PolarHBondContact O-N 2.91Å; G52-R55 PolarHBondContact O-N 3.11Å; K53-R55 VanDerWaalsContact C-N 3.35Å; K53-R55 PolarHBondContact O-N 3.39Å; R55-L58 PolarHBondContact O-N 2.83Å; R55-S59 WeakPolarHBondContact O-CB 3.27Å; R55-S59 PolarHBondContact O-N 3.34Å; R55-D66 WeakPolarHBondContact CD-O 3.36Å; R55-D66 WeakPolarHBondContact CG-OD1 3.48Å; R55-D66 IonicContact CZ-OD1 3.68Å; R55-D66 IonicContact NE-OD1 2.87Å; R55-D66 PolarHBondContact NE-OD1 2.74Å; R55-D66 IonicContact NH2-OD1 3.7Å; R55-V69 HydrophobicContact CG-CB 4.11Å; R55-V69 HydrophobicContact CG-CG1 3.92Å
56	H	98.3	Very high	97.1	Very high	90 Å²	90	81.1 Å²	81.1	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-66.4	-41.6	178.6	-170.6	70.8	0	0	0	112.1	G52 K53 E54 L58 S59 K60 D66	G52-H56 WeakPolarHBondContact O-CB 3.36Å; G52-H56 PolarHBondContact O-N 3.34Å; K53-H56 PolarHBondContact O-N 2.87Å; E54-H56 VanDerWaalsContact C-N 3.34Å; H56-L58 VanDerWaalsContact C-N 3.34Å; H56-L58 PolarHBondContact O-N 3.47Å; H56-S59 WeakPolarHBondContact CA-OG 3.46Å; H56-S59 PolarHBondContact O-N 2.9Å; H56-S59 PolarHBondContact O-OG 3.19Å; H56-K60 WeakPolarHBondContact O-CG 3.43Å; H56-K60 PolarHBondContact O-N 3.43Å; H56-D66 WeakPolarHBondContact CA-OD1 3.38Å; H56-D66 PolarHBondContact N-OD1 2.63Å; H56-D66 IonicContact ND1-OD2 3.36Å; H56-D66 PolarHBondContact ND1-OD2 2.79Å; H56-D66 VanDerWaalsContact ND1-OD2 3.09Å
57	R	97.7	Very high	97.1	Very high	137 Å²	137	77 Å²	77	52%	0.517	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-44	175.2	-166.9	-177.5	73.9	81.1	-0.8	111.6	K53 E54 L61	K53-R57 PolarHBondContact O-N 2.88Å; E54-R57 PolarHBondContact O-N 2.73Å; E54-R57 IonicContact OE2-CZ 3.99Å; E54-R57 IonicContact OE2-NE 3.41Å; E54-R57 PolarHBondContact OE2-NE 3.14Å; E54-R57 IonicContact OE2-NH2 3.61Å; R57-L61 WeakPolarHBondContact O-CB 3.5Å; R57-L61 PolarHBondContact O-N 3.27Å
58	L	97.6	Very high	97.1	Very high	6 Å²	6	76.4 Å²	76.4	3%	0.031	39%	0.386	C	S	.	.	H	α-helix	trans	-68	-38.5	178.3	-172.4	58.3	0	0	0	112.2	L40 V43 E54 R55 H56 L61 L62 V69 F73	L40-L58 HydrophobicContact CD2-CD2 4.05Å; V43-L58 HydrophobicContact CB-CD2 4.27Å; V43-L58 HydrophobicContact CG1-CD2 4.14Å; V43-L58 HydrophobicContact CG2-CD1 3.96Å; V43-L58 HydrophobicContact CG2-CD2 4.23Å; E54-L58 VanDerWaalsContact O-CB 3.32Å; E54-L58 WeakPolarHBondContact O-CB 3.24Å; E54-L58 PolarHBondContact O-N 3.35Å; R55-L58 PolarHBondContact O-N 2.83Å; H56-L58 VanDerWaalsContact C-N 3.34Å; H56-L58 PolarHBondContact O-N 3.47Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-L62 HydrophobicContact CD1-CD1 3.71Å; L58-L62 HydrophobicContact CD1-CG 4.03Å; L58-L62 HydrophobicContact CG-CD1 3.89Å; L58-L62 HydrophobicContact CG-CG 4.47Å; L58-L62 WeakPolarHBondContact O-CB 3.44Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-L62 VanDerWaalsContact O-N 3.09Å; L58-V69 HydrophobicContact CD2-CG1 3.92Å; L58-V69 HydrophobicContact CG-CG1 4.42Å; L58-F73 HydrophobicContact CD2-CE2 3.82Å; L58-F73 HydrophobicContact CD2-CZ 4.15Å
59	S	97.7	Very high	97.1	Very high	3 Å²	3	72.3 Å²	72.3	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-46.2	177.6	78.3	0	0	0	0	110.9	R55 H56 L62 G63 L64	R55-S59 WeakPolarHBondContact O-CB 3.27Å; R55-S59 PolarHBondContact O-N 3.34Å; H56-S59 WeakPolarHBondContact CA-OG 3.46Å; H56-S59 PolarHBondContact O-N 2.9Å; H56-S59 PolarHBondContact O-OG 3.19Å; S59-L62 PolarHBondContact O-N 3.3Å; S59-G63 PolarHBondContact O-N 3.11Å; S59-L64 CarbonylContact C-O 3.56Å; S59-L64 VanDerWaalsContact CB-O 3.24Å; S59-L64 WeakPolarHBondContact CB-O 3.43Å; S59-L64 PolarHBondContact O-N 3.35Å
60	K	98	Very high	97	Very high	154 Å²	154	70.1 Å²	70.1	67%	0.67	36%	0.36	S	S	*	.	H	α-helix	trans	-61.2	-44.9	174.2	-69.9	-65.6	-174.6	178.8	0	112.9	H56 L62 G63	H56-K60 WeakPolarHBondContact O-CG 3.43Å; H56-K60 PolarHBondContact O-N 3.43Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 PolarHBondContact O-N 2.91Å; K60-G63 PolarHBondContact O-N 3.32Å
61	L	97.2	Very high	97	Very high	103 Å²	103	71.5 Å²	71.5	54%	0.539	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-32.5	179.9	-178.1	63.5	0	0	0	113.1	R57 L58	R57-L61 WeakPolarHBondContact O-CB 3.5Å; R57-L61 PolarHBondContact O-N 3.27Å; L58-L61 PolarHBondContact O-N 3.22Å
62	L	97	Very high	97.1	Very high	13 Å²	13	67.4 Å²	67.4	7%	0.068	34%	0.341	C	S	.	.	H	α-helix	trans	-98.8	-4.1	-175.4	-61.7	179.9	0	0	0	114.1	Q36 K39 L40 L58 S59 K60 L64	Q36-L62 HydrophobicContact CG-CB 4.49Å; Q36-L62 HydrophobicContact CG-CD2 4.5Å; Q36-L62 PolarHBondContact NE2-O 3.34Å; K39-L62 HydrophobicContact CB-CD2 3.67Å; K39-L62 HydrophobicContact CD-CD2 3.42Å; K39-L62 VanDerWaalsContact CD-CD2 3.42Å; K39-L62 HydrophobicContact CG-CD2 4.17Å; L40-L62 HydrophobicContact CD1-CD1 4.32Å; L40-L62 HydrophobicContact CD2-CD1 3.68Å; L40-L62 HydrophobicContact CG-CD1 3.65Å; L58-L62 HydrophobicContact CD1-CD1 3.71Å; L58-L62 HydrophobicContact CD1-CG 4.03Å; L58-L62 HydrophobicContact CG-CD1 3.89Å; L58-L62 HydrophobicContact CG-CG 4.47Å; L58-L62 WeakPolarHBondContact O-CB 3.44Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-L62 VanDerWaalsContact O-N 3.09Å; S59-L62 PolarHBondContact O-N 3.3Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 PolarHBondContact O-N 2.91Å; L62-L64 HydrophobicContact CB-CB 4.4Å; L62-L64 HydrophobicContact CB-CD1 3.93Å; L62-L64 HydrophobicContact CB-CG 3.85Å; L62-L64 HydrophobicContact CD1-CD1 4.08Å; L62-L64 PolarHBondContact O-N 3.4Å
63	G	97	Very high	97.2	Very high	69 Å²	69	65.7 Å²	65.7	71%	0.711	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	30	-171.6	0	0	0	0	0	113.1	S59 K60	S59-G63 PolarHBondContact O-N 3.11Å; K60-G63 PolarHBondContact O-N 3.32Å
64	L	96.2	Very high	97.2	Very high	19 Å²	19	62 Å²	62	10%	0.099	31%	0.308	C	S	.	.			trans	-108.9	161.4	-179.3	-62.6	-179.6	0	0	0	110.8	F32 L40 S59 L62 Q68 V69	F32-L64 HydrophobicContact CD1-CD1 3.95Å; F32-L64 HydrophobicContact CD1-CD2 3.9Å; F32-L64 HydrophobicContact CE1-CD1 3.86Å; F32-L64 HydrophobicContact CE1-CD2 3.87Å; L40-L64 HydrophobicContact CD1-CD1 4.38Å; S59-L64 CarbonylContact C-O 3.56Å; S59-L64 VanDerWaalsContact CB-O 3.24Å; S59-L64 WeakPolarHBondContact CB-O 3.43Å; S59-L64 PolarHBondContact O-N 3.35Å; L62-L64 HydrophobicContact CB-CB 4.4Å; L62-L64 HydrophobicContact CB-CD1 3.93Å; L62-L64 HydrophobicContact CB-CG 3.85Å; L62-L64 HydrophobicContact CD1-CD1 4.08Å; L62-L64 PolarHBondContact O-N 3.4Å; L64-Q68 HydrophobicContact CB-CB 4.39Å; L64-V69 HydrophobicContact CB-CG2 4.1Å; L64-V69 HydrophobicContact CD1-CG2 4.36Å
65	T	96.7	Very high	97.2	Very high	76 Å²	76	62.3 Å²	62.3	47%	0.466	31%	0.313	S	S	.	.			trans	-78.5	150.2	168.4	62.6	0	0	0	0	111	Q67 Q68 V69	T65-Q67 PolarHBondContact O-N 2.81Å; T65-Q67 VanDerWaalsContact O-N 3.12Å; T65-Q68 PolarHBondContact O-N 3.08Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.47Å; T65-Q68 VanDerWaalsContact OG1-CG 3.26Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.29Å; T65-Q68 PolarHBondContact OG1-N 2.66Å; T65-Q68 VanDerWaalsContact OG1-N 3.14Å; T65-Q68 PolarHBondContact OG1-OE1 3.48Å; T65-V69 PolarHBondContact O-N 3.43Å; T65-V69 VanDerWaalsContact O-N 3.13Å
66	D	97.4	Very high	97.2	Very high	42 Å²	42	61.5 Å²	61.5	23%	0.225	31%	0.31	C	S	.	.	H	α-helix	trans	-49.5	-37	170.8	-87	-78.1	0	0	0	112.6	R55 H56 K70	R55-D66 WeakPolarHBondContact CD-O 3.36Å; R55-D66 WeakPolarHBondContact CG-OD1 3.48Å; R55-D66 IonicContact CZ-OD1 3.68Å; R55-D66 IonicContact NE-OD1 2.87Å; R55-D66 PolarHBondContact NE-OD1 2.74Å; R55-D66 IonicContact NH2-OD1 3.7Å; H56-D66 WeakPolarHBondContact CA-OD1 3.38Å; H56-D66 PolarHBondContact N-OD1 2.63Å; H56-D66 IonicContact ND1-OD2 3.36Å; H56-D66 PolarHBondContact ND1-OD2 2.79Å; H56-D66 VanDerWaalsContact ND1-OD2 3.09Å; D66-K70 WeakPolarHBondContact O-CB 3.33Å; D66-K70 PolarHBondContact O-N 3.19Å
67	Q	96.2	Very high	97.2	Very high	104 Å²	104	60.4 Å²	60.4	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-69.6	-40.8	178.3	-177.8	61	14.5	0	0	112.5	T65 K70 V71	T65-Q67 PolarHBondContact O-N 2.81Å; T65-Q67 VanDerWaalsContact O-N 3.12Å; Q67-K70 PolarHBondContact O-N 3.49Å; Q67-V71 HydrophobicContact CG-CG2 4.47Å; Q67-V71 WeakPolarHBondContact O-CB 3.2Å; Q67-V71 VanDerWaalsContact O-CG2 3.29Å; Q67-V71 WeakPolarHBondContact O-CG2 3.32Å; Q67-V71 PolarHBondContact O-N 3.05Å
68	Q	96.6	Very high	97	Very high	45 Å²	45	55.9 Å²	55.9	21%	0.21	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-45.2	175.3	-78.3	164.4	-56.7	0	0	111.3	F32 L64 T65 K70 V71 W72	F32-Q68 HydrophobicContact CE1-CB 4.23Å; F32-Q68 HydrophobicContact CZ-CB 4.33Å; L64-Q68 HydrophobicContact CB-CB 4.39Å; T65-Q68 PolarHBondContact O-N 3.08Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.47Å; T65-Q68 VanDerWaalsContact OG1-CG 3.26Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.29Å; T65-Q68 PolarHBondContact OG1-N 2.66Å; T65-Q68 VanDerWaalsContact OG1-N 3.14Å; T65-Q68 PolarHBondContact OG1-OE1 3.48Å; Q68-K70 PolarHBondContact O-N 2.82Å; Q68-V71 PolarHBondContact O-N 3.38Å; Q68-W72 WeakPolarHBondContact O-CB 3.22Å; Q68-W72 PolarHBondContact O-N 3.49Å
69	V	97.3	Very high	96.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-47.7	175.8	179.9	0	0	0	0	110.1	L40 V50 R55 L58 L64 T65 V71 W72 F73	L40-V69 HydrophobicContact CD2-CG1 4.48Å; V50-V69 HydrophobicContact CG2-CG1 4.13Å; R55-V69 HydrophobicContact CG-CB 4.11Å; R55-V69 HydrophobicContact CG-CG1 3.92Å; L58-V69 HydrophobicContact CD2-CG1 3.92Å; L58-V69 HydrophobicContact CG-CG1 4.42Å; L64-V69 HydrophobicContact CB-CG2 4.1Å; L64-V69 HydrophobicContact CD1-CG2 4.36Å; T65-V69 PolarHBondContact O-N 3.43Å; T65-V69 VanDerWaalsContact O-N 3.13Å; V69-V71 PolarHBondContact O-N 2.95Å; V69-W72 PolarHBondContact O-N 2.94Å; V69-F73 HydrophobicContact CG1-CD2 3.85Å; V69-F73 HydrophobicContact CG1-CE2 3.85Å; V69-F73 VanDerWaalsContact O-CD2 3.32Å; V69-F73 WeakPolarHBondContact O-CD2 3.43Å; V69-F73 PolarHBondContact O-N 2.98Å
70	K	97	Very high	96.6	Very high	101 Å²	101	65 Å²	65	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-55.1	-49	176.4	-179.8	-175.3	174.1	-176.9	0	112.3	D66 Q67 Q68 F73 Q74	D66-K70 WeakPolarHBondContact O-CB 3.33Å; D66-K70 PolarHBondContact O-N 3.19Å; Q67-K70 PolarHBondContact O-N 3.49Å; Q68-K70 PolarHBondContact O-N 2.82Å; K70-F73 PolarHBondContact O-N 3.34Å; K70-Q74 PolarHBondContact O-N 3.43Å
71	V	96.3	Very high	96.3	Very high	51 Å²	51	65.5 Å²	65.5	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-40.8	-179.8	170.4	0	0	0	0	111.1	Q67 Q68 V69 Q74 N75	Q67-V71 HydrophobicContact CG-CG2 4.47Å; Q67-V71 WeakPolarHBondContact O-CB 3.2Å; Q67-V71 VanDerWaalsContact O-CG2 3.29Å; Q67-V71 WeakPolarHBondContact O-CG2 3.32Å; Q67-V71 PolarHBondContact O-N 3.05Å; Q68-V71 PolarHBondContact O-N 3.38Å; V69-V71 PolarHBondContact O-N 2.95Å; V71-Q74 PolarHBondContact O-N 3.38Å; V71-N75 WeakPolarHBondContact O-CB 3.3Å; V71-N75 VanDerWaalsContact O-CG 3.31Å; V71-N75 PolarHBondContact O-N 2.93Å
72	W	97.7	Very high	95.7	Very high	26 Å²	26	66.7 Å²	66.7	10%	0.098	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-48.6	176.2	-174.4	98	0	0	0	111.2	F32 L40 F44 Q68 V69 Q74 N75 R76	F32-W72 AromaticContact CD2-CD1 3.74Å; F32-W72 HydrophobicContact CE2-CB 4.33Å; F32-W72 AromaticContact CE2-CD1 3.55Å; F32-W72 HydrophobicContact CE2-CG 4.32Å; F32-W72 HydrophobicContact CZ-CB 4.49Å; L40-W72 HydrophobicContact CB-CD2 3.95Å; L40-W72 HydrophobicContact CB-CE3 3.99Å; L40-W72 HydrophobicContact CB-CH2 3.66Å; L40-W72 HydrophobicContact CB-CZ2 3.56Å; L40-W72 HydrophobicContact CB-CZ3 3.86Å; L40-W72 HydrophobicContact CD1-CD2 3.89Å; L40-W72 HydrophobicContact CD1-CG 3.87Å; L40-W72 HydrophobicContact CD2-CD2 4.16Å; L40-W72 HydrophobicContact CD2-CE3 4.05Å; L40-W72 HydrophobicContact CD2-CG 4.49Å; L40-W72 HydrophobicContact CG-CD2 4.22Å; L40-W72 HydrophobicContact CG-CE3 4.43Å; F44-W72 HydrophobicContact CB-CH2 3.96Å; F44-W72 HydrophobicContact CB-CZ3 3.92Å; F44-W72 HydrophobicContact CD2-CZ3 4.09Å; F44-W72 HydrophobicContact CG-CH2 4.34Å; F44-W72 HydrophobicContact CG-CZ3 4.21Å; Q68-W72 WeakPolarHBondContact O-CB 3.22Å; Q68-W72 PolarHBondContact O-N 3.49Å; V69-W72 PolarHBondContact O-N 2.94Å; W72-Q74 VanDerWaalsContact C-N 3.31Å; W72-Q74 PolarHBondContact O-N 3.04Å; W72-N75 PolarHBondContact O-N 3.29Å; W72-R76 HydrophobicContact CD2-CB 4.47Å; W72-R76 HydrophobicContact CE3-CB 4.11Å; W72-R76 HydrophobicContact CH2-CB 4.05Å; W72-R76 HydrophobicContact CH2-CG 3.74Å; W72-R76 HydrophobicContact CZ2-CB 4.44Å; W72-R76 HydrophobicContact CZ2-CG 4.32Å; W72-R76 HydrophobicContact CZ3-CB 3.88Å; W72-R76 HydrophobicContact CZ3-CG 3.92Å; W72-R76 VanDerWaalsContact O-CB 3.3Å; W72-R76 WeakPolarHBondContact O-CB 3.45Å; W72-R76 PolarHBondContact O-N 3.01Å
73	F	98.3	Very high	94.9	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.009	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-38.7	177.5	-87.9	-99.3	0	0	0	112.1	L40 V43 F44 T47 V50 L58 V69 K70 R76 R77	L40-F73 HydrophobicContact CD2-CE2 4.03Å; V43-F73 HydrophobicContact CB-CZ 4.31Å; V43-F73 HydrophobicContact CG1-CZ 3.93Å; F44-F73 HydrophobicContact CB-CE1 4.33Å; F44-F73 AromaticContact CD2-CD1 3.8Å; F44-F73 HydrophobicContact CD2-CD1 3.8Å; F44-F73 AromaticContact CD2-CE1 3.85Å; F44-F73 HydrophobicContact CD2-CE1 3.85Å; F44-F73 HydrophobicContact CE2-CD1 4.4Å; T47-F73 WeakPolarHBondContact O-CE1 3.33Å; V50-F73 HydrophobicContact CB-CE1 4.36Å; V50-F73 HydrophobicContact CB-CE2 4.46Å; V50-F73 HydrophobicContact CB-CZ 4.31Å; V50-F73 HydrophobicContact CG1-CD1 4.2Å; V50-F73 HydrophobicContact CG1-CD2 4.49Å; V50-F73 HydrophobicContact CG1-CE1 3.53Å; V50-F73 HydrophobicContact CG1-CE2 3.87Å; V50-F73 HydrophobicContact CG1-CZ 3.34Å; V50-F73 HydrophobicContact CG2-CB 4.41Å; V50-F73 HydrophobicContact CG2-CD1 3.93Å; V50-F73 HydrophobicContact CG2-CD2 3.57Å; V50-F73 HydrophobicContact CG2-CE1 4.07Å; V50-F73 HydrophobicContact CG2-CE2 3.72Å; V50-F73 HydrophobicContact CG2-CG 3.69Å; V50-F73 HydrophobicContact CG2-CZ 3.98Å; L58-F73 HydrophobicContact CD2-CE2 3.82Å; L58-F73 HydrophobicContact CD2-CZ 4.15Å; V69-F73 HydrophobicContact CG1-CD2 3.85Å; V69-F73 HydrophobicContact CG1-CE2 3.85Å; V69-F73 VanDerWaalsContact O-CD2 3.32Å; V69-F73 WeakPolarHBondContact O-CD2 3.43Å; V69-F73 PolarHBondContact O-N 2.98Å; K70-F73 PolarHBondContact O-N 3.34Å; F73-R76 PolarHBondContact O-N 3.35Å; F73-R77 WeakPolarHBondContact O-CG 3.21Å; F73-R77 PolarHBondContact O-N 3.09Å
74	Q	97.2	Very high	93.8	Very high	101 Å²	101	71.9 Å²	71.9	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-45.2	175	-175.3	174.5	17.1	0	0	112.3	K70 V71 W72 R77 T78	K70-Q74 PolarHBondContact O-N 3.43Å; V71-Q74 PolarHBondContact O-N 3.38Å; W72-Q74 VanDerWaalsContact C-N 3.31Å; W72-Q74 PolarHBondContact O-N 3.04Å; Q74-R77 PolarHBondContact O-N 3.27Å; Q74-T78 PolarHBondContact O-N 3.15Å; Q74-T78 PolarHBondContact O-OG1 3.39Å
75	N	96.9	Very high	92.5	Very high	97 Å²	97	73.6 Å²	73.6	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-40.9	177.2	-73	-15.8	0	0	0	111.4	V71 W72 T78 K79	V71-N75 WeakPolarHBondContact O-CB 3.3Å; V71-N75 VanDerWaalsContact O-CG 3.31Å; V71-N75 PolarHBondContact O-N 2.93Å; W72-N75 PolarHBondContact O-N 3.29Å; N75-T78 CarbonylContact O-C 3.31Å; N75-T78 WeakPolarHBondContact O-CB 3.38Å; N75-T78 PolarHBondContact O-N 2.99Å; N75-T78 VanDerWaalsContact O-N 3.15Å; N75-K79 PolarHBondContact O-N 3.44Å
76	R	97.4	Very high	91.2	Very high	53 Å²	53	78.5 Å²	78.5	20%	0.2	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-42.4	177.9	-176.8	63.8	-173.3	89.1	-2.1	112	E41 F44 W72 F73 K79 L80	E41-R76 IonicContact OE1-CZ 3.76Å; E41-R76 IonicContact OE1-NE 2.79Å; E41-R76 PolarHBondContact OE1-NE 3.48Å; E41-R76 VanDerWaalsContact OE1-NE 3.14Å; E41-R76 IonicContact OE1-NH2 3.83Å; E41-R76 PolarHBondContact OE1-NH2 3.32Å; E41-R76 WeakPolarHBondContact OE2-CD 3.45Å; E41-R76 IonicContact OE2-CZ 2.73Å; E41-R76 IonicContact OE2-NE 3.09Å; E41-R76 PolarHBondContact OE2-NE 3.19Å; E41-R76 IonicContact OE2-NH2 3.14Å; F44-R76 HydrophobicContact CD1-CG 3.73Å; F44-R76 HydrophobicContact CD2-CB 4.24Å; F44-R76 HydrophobicContact CD2-CG 3.62Å; F44-R76 HydrophobicContact CE1-CG 3.65Å; F44-R76 HydrophobicContact CE2-CB 4.04Å; F44-R76 HydrophobicContact CE2-CG 3.54Å; F44-R76 HydrophobicContact CG-CG 3.73Å; F44-R76 HydrophobicContact CZ-CB 4.39Å; F44-R76 HydrophobicContact CZ-CG 3.56Å; W72-R76 HydrophobicContact CD2-CB 4.47Å; W72-R76 HydrophobicContact CE3-CB 4.11Å; W72-R76 HydrophobicContact CH2-CB 4.05Å; W72-R76 HydrophobicContact CH2-CG 3.74Å; W72-R76 HydrophobicContact CZ2-CB 4.44Å; W72-R76 HydrophobicContact CZ2-CG 4.32Å; W72-R76 HydrophobicContact CZ3-CB 3.88Å; W72-R76 HydrophobicContact CZ3-CG 3.92Å; W72-R76 VanDerWaalsContact O-CB 3.3Å; W72-R76 WeakPolarHBondContact O-CB 3.45Å; W72-R76 PolarHBondContact O-N 3.01Å; F73-R76 PolarHBondContact O-N 3.35Å; R76-K79 PolarHBondContact O-N 2.89Å; R76-L80 PolarHBondContact O-N 3Å
77	R	97.4	Very high	89.6	Confident	67 Å²	67	82.3 Å²	82.3	25%	0.253	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-40.4	170.9	-72.9	-168.9	-60.5	-95.5	1	112.2	F44 Q48 F73 Q74 K79 L80 R81	F44-R77 HydrophobicContact CE2-CG 3.95Å; F44-R77 HydrophobicContact CZ-CG 4.23Å; Q48-R77 PolarHBondContact O-NH1 3.21Å; F73-R77 WeakPolarHBondContact O-CG 3.21Å; F73-R77 PolarHBondContact O-N 3.09Å; Q74-R77 PolarHBondContact O-N 3.27Å; R77-K79 VanDerWaalsContact C-N 3.34Å; R77-K79 PolarHBondContact O-N 2.97Å; R77-L80 WeakPolarHBondContact O-CB 3.29Å; R77-L80 PolarHBondContact O-N 3.1Å; R77-R81 PolarHBondContact O-N 2.79Å
78	T	94.3	Very high	88	Confident	41 Å²	41	80.1 Å²	80.1	25%	0.252	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-43.5	175	-57	0	0	0	0	111.2	Q74 N75 R81 K82	Q74-T78 PolarHBondContact O-N 3.15Å; Q74-T78 PolarHBondContact O-OG1 3.39Å; N75-T78 CarbonylContact O-C 3.31Å; N75-T78 WeakPolarHBondContact O-CB 3.38Å; N75-T78 PolarHBondContact O-N 2.99Å; N75-T78 VanDerWaalsContact O-N 3.15Å; T78-R81 PolarHBondContact O-N 2.92Å; T78-K82 HydrophobicContact CG2-CD 4.3Å; T78-K82 WeakPolarHBondContact O-CB 3.32Å; T78-K82 WeakPolarHBondContact O-CG 3.38Å; T78-K82 PolarHBondContact O-N 3.33Å
79	K	92.7	Very high	86.6	Confident	154 Å²	154	82.1 Å²	82.1	67%	0.67	39%	0.389	S	S	*	.	H	α-helix	trans	-62.8	-42.3	174.6	-171.1	179.1	-179.3	-177.8	0	111.4	N75 R76 R77 K82 G83	N75-K79 PolarHBondContact O-N 3.44Å; R76-K79 PolarHBondContact O-N 2.89Å; R77-K79 VanDerWaalsContact C-N 3.34Å; R77-K79 PolarHBondContact O-N 2.97Å; K79-K82 PolarHBondContact O-N 3.49Å; K79-G83 PolarHBondContact O-N 3.27Å
80	L	93.5	Very high	85.1	Confident	48 Å²	48	87.6 Å²	87.6	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-46.3	176.3	-179.4	64.4	0	0	0	111.8	F44 R76 R77 G83 K84	F44-L80 HydrophobicContact CE1-CD2 4.4Å; F44-L80 HydrophobicContact CZ-CD2 4.22Å; R76-L80 PolarHBondContact O-N 3Å; R77-L80 WeakPolarHBondContact O-CB 3.29Å; R77-L80 PolarHBondContact O-N 3.1Å; L80-G83 PolarHBondContact O-N 2.9Å; L80-K84 PolarHBondContact O-N 2.87Å
81	R	91.5	Very high	83.7	Confident	163 Å²	163	85.5 Å²	85.5	62%	0.615	41%	0.41	S	S	*	.	H	α-helix	trans	-64.4	-43.7	176.5	-175	173.2	64.7	-136.5	0.5	111.8	R77 T78 G83 K84 S85	R77-R81 PolarHBondContact O-N 2.79Å; T78-R81 PolarHBondContact O-N 2.92Å; R81-G83 VanDerWaalsContact C-N 3.28Å; R81-G83 PolarHBondContact O-N 2.82Å; R81-K84 PolarHBondContact O-N 3.33Å; R81-S85 PolarHBondContact O-N 3.14Å; R81-S85 VanDerWaalsContact O-N 3.11Å; R81-S85 PolarHBondContact O-OG 3.49Å
82	K	85.2	Confident	82.4	Confident	128 Å²	128	87.1 Å²	87.1	56%	0.557	42%	0.417	S	S	*	.	H	α-helix	trans	-62.8	-33.8	175.4	-75.6	-178.7	178	-173.1	0	112.4	T78 K79 S85 R86	T78-K82 HydrophobicContact CG2-CD 4.3Å; T78-K82 WeakPolarHBondContact O-CB 3.32Å; T78-K82 WeakPolarHBondContact O-CG 3.38Å; T78-K82 PolarHBondContact O-N 3.33Å; K79-K82 PolarHBondContact O-N 3.49Å; K82-S85 CarbonylContact O-C 3.44Å; K82-S85 PolarHBondContact O-N 3.09Å; K82-R86 WeakPolarHBondContact O-CB 3.41Å; K82-R86 WeakPolarHBondContact O-CG 3.3Å; K82-R86 PolarHBondContact O-N 3.34Å
83	G	79.7	Confident	81.2	Confident	36 Å²	36	90.9 Å²	90.9	37%	0.371	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-45.7	174.7	0	0	0	0	0	111.7	K79 L80 R81 S85 R86 E87	K79-G83 PolarHBondContact O-N 3.27Å; L80-G83 PolarHBondContact O-N 2.9Å; R81-G83 VanDerWaalsContact C-N 3.28Å; R81-G83 PolarHBondContact O-N 2.82Å; G83-S85 VanDerWaalsContact C-N 3.28Å; G83-S85 PolarHBondContact O-N 3.04Å; G83-R86 PolarHBondContact O-N 3.45Å; G83-E87 PolarHBondContact O-N 2.87Å
84	K	74	Confident	79.8	Confident	155 Å²	155	95.8 Å²	95.8	67%	0.674	46%	0.464	S	S	*	.	H	α-helix	trans	-59.8	-38.4	174.2	-64.5	-179.3	177.8	-171.9	0	112.4	L80 R81 S88	L80-K84 PolarHBondContact O-N 2.87Å; R81-K84 PolarHBondContact O-N 3.33Å; K84-S88 PolarHBondContact O-N 3.45Å
85	S	70.3	Confident	78.5	Confident	55 Å²	55	97 Å²	97	39%	0.385	47%	0.468	S	S	.	.	H	α-helix	trans	-74.9	-35.6	175.2	-56.7	0	0	0	0	113.2	R81 K82 G83 S88 I89	R81-S85 PolarHBondContact O-N 3.14Å; R81-S85 VanDerWaalsContact O-N 3.11Å; R81-S85 PolarHBondContact O-OG 3.49Å; K82-S85 CarbonylContact O-C 3.44Å; K82-S85 PolarHBondContact O-N 3.09Å; G83-S85 VanDerWaalsContact C-N 3.28Å; G83-S85 PolarHBondContact O-N 3.04Å; S85-S88 WeakPolarHBondContact CA-OG 3.33Å; S85-S88 CarbonylContact O-C 3.54Å; S85-S88 PolarHBondContact O-N 3.45Å; S85-S88 PolarHBondContact O-OG 2.86Å; S85-I89 WeakPolarHBondContact O-CB 3.42Å; S85-I89 WeakPolarHBondContact O-CD1 3.44Å; S85-I89 WeakPolarHBondContact O-CG1 3.41Å; S85-I89 PolarHBondContact O-N 2.84Å
86	R	69.3	Low	77.1	Confident	179 Å²	179	97 Å²	97	68%	0.675	47%	0.468	S	S	*	.	H	α-helix	trans	-67.4	-40.2	177.9	-84.1	-177	167.4	-175.2	-6.4	111.4	K82 G83 S88 I89 E90	K82-R86 WeakPolarHBondContact O-CB 3.41Å; K82-R86 WeakPolarHBondContact O-CG 3.3Å; K82-R86 PolarHBondContact O-N 3.34Å; G83-R86 PolarHBondContact O-N 3.45Å; R86-S88 VanDerWaalsContact C-N 3.26Å; R86-S88 PolarHBondContact O-N 2.94Å; R86-I89 CarbonylContact O-C 3.6Å; R86-I89 PolarHBondContact O-N 3.38Å; R86-I89 VanDerWaalsContact O-N 3.08Å; R86-E90 VanDerWaalsContact O-CB 3.25Å; R86-E90 WeakPolarHBondContact O-CB 3.47Å; R86-E90 PolarHBondContact O-N 2.94Å
87	E	63.4	Low	75.5	Confident	123 Å²	123	96.8 Å²	96.8	58%	0.575	47%	0.474	S	S	*	.	H	α-helix	trans	-55.6	-46.3	171.3	-163.9	65.3	-137.8	0	0	110.4	G83 I89 E90 V91	G83-E87 PolarHBondContact O-N 2.87Å; E87-I89 PolarHBondContact O-N 2.97Å; E87-E90 PolarHBondContact O-N 3.44Å; E87-V91 WeakPolarHBondContact O-CB 3.44Å; E87-V91 WeakPolarHBondContact O-CG2 3.33Å; E87-V91 PolarHBondContact O-N 3.13Å
88	S	61.5	Low	74	Confident	58 Å²	58	100.2 Å²	100.2	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-35.8	175.6	66	0	0	0	0	113.6	K84 S85 R86 N92	K84-S88 PolarHBondContact O-N 3.45Å; S85-S88 WeakPolarHBondContact CA-OG 3.33Å; S85-S88 CarbonylContact O-C 3.54Å; S85-S88 PolarHBondContact O-N 3.45Å; S85-S88 PolarHBondContact O-OG 2.86Å; R86-S88 VanDerWaalsContact C-N 3.26Å; R86-S88 PolarHBondContact O-N 2.94Å; S88-N92 VanDerWaalsContact O-CB 3.24Å; S88-N92 WeakPolarHBondContact O-CB 3.38Å; S88-N92 PolarHBondContact O-N 3.34Å; S88-N92 PolarHBondContact O-ND2 3.07Å
89	I	68	Low	72.5	Confident	87 Å²	87	100.6 Å²	100.6	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-73.6	-39.7	178.9	-69.3	161.3	0	0	0	110.4	S85 R86 E87 N92 L93	S85-I89 WeakPolarHBondContact O-CB 3.42Å; S85-I89 WeakPolarHBondContact O-CD1 3.44Å; S85-I89 WeakPolarHBondContact O-CG1 3.41Å; S85-I89 PolarHBondContact O-N 2.84Å; R86-I89 CarbonylContact O-C 3.6Å; R86-I89 PolarHBondContact O-N 3.38Å; R86-I89 VanDerWaalsContact O-N 3.08Å; E87-I89 PolarHBondContact O-N 2.97Å; I89-N92 CarbonylContact O-C 3.54Å; I89-N92 PolarHBondContact O-N 3.5Å; I89-L93 HydrophobicContact CG2-CD1 3.68Å; I89-L93 HydrophobicContact CG2-CG 3.92Å; I89-L93 VanDerWaalsContact O-CB 3.29Å; I89-L93 WeakPolarHBondContact O-CB 3.41Å; I89-L93 WeakPolarHBondContact O-CG 3.4Å; I89-L93 PolarHBondContact O-N 2.96Å
90	E	65.8	Low	71	Confident	115 Å²	115	99 Å²	99	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-68.5	-44.7	179.8	-172	165.8	-176.6	0	0	110.1	R86 E87 N92 L93 L94	R86-E90 VanDerWaalsContact O-CB 3.25Å; R86-E90 WeakPolarHBondContact O-CB 3.47Å; R86-E90 PolarHBondContact O-N 2.94Å; E87-E90 PolarHBondContact O-N 3.44Å; E90-N92 VanDerWaalsContact C-N 3.26Å; E90-N92 PolarHBondContact O-N 3.38Å; E90-L93 PolarHBondContact O-N 2.91Å; E90-L94 HydrophobicContact CG-CD1 4.44Å; E90-L94 WeakPolarHBondContact O-CB 3.42Å; E90-L94 VanDerWaalsContact O-CG 3.23Å; E90-L94 WeakPolarHBondContact O-CG 3.23Å; E90-L94 PolarHBondContact O-N 3.27Å
91	V	67.4	Low	69.3	Low	57 Å²	57	107 Å²	107	35%	0.345	52%	0.522	S	S	.	.	H	α-helix	trans	-58.1	-40.3	169.5	172.7	0	0	0	0	111.2	E87 K95	E87-V91 WeakPolarHBondContact O-CB 3.44Å; E87-V91 WeakPolarHBondContact O-CG2 3.33Å; E87-V91 PolarHBondContact O-N 3.13Å; V91-K95 HydrophobicContact CG1-CD 4.36Å; V91-K95 WeakPolarHBondContact O-CB 3.49Å; V91-K95 VanDerWaalsContact O-CG 3.23Å; V91-K95 WeakPolarHBondContact O-CG 3.24Å; V91-K95 PolarHBondContact O-N 2.87Å; V91-K95 VanDerWaalsContact O-N 3.12Å
92	N	69.6	Low	67.9	Low	85 Å²	85	106.5 Å²	106.5	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-72.4	-35.6	176.6	-72.1	-20	0	0	0	113.1	S88 I89 E90 K95 L96	S88-N92 VanDerWaalsContact O-CB 3.24Å; S88-N92 WeakPolarHBondContact O-CB 3.38Å; S88-N92 PolarHBondContact O-N 3.34Å; S88-N92 PolarHBondContact O-ND2 3.07Å; I89-N92 CarbonylContact O-C 3.54Å; I89-N92 PolarHBondContact O-N 3.5Å; E90-N92 VanDerWaalsContact C-N 3.26Å; E90-N92 PolarHBondContact O-N 3.38Å; N92-K95 PolarHBondContact O-N 3.49Å; N92-L96 WeakPolarHBondContact O-CB 3.42Å; N92-L96 WeakPolarHBondContact O-CG 3.37Å; N92-L96 PolarHBondContact O-N 3.28Å
93	L	70.9	Confident	66.7	Low	104 Å²	104	104.7 Å²	104.7	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-71.3	-37.5	177.7	-77.5	174	0	0	0	110.8	I89 E90 L96 S97	I89-L93 HydrophobicContact CG2-CD1 3.68Å; I89-L93 HydrophobicContact CG2-CG 3.92Å; I89-L93 VanDerWaalsContact O-CB 3.29Å; I89-L93 WeakPolarHBondContact O-CB 3.41Å; I89-L93 WeakPolarHBondContact O-CG 3.4Å; I89-L93 PolarHBondContact O-N 2.96Å; E90-L93 PolarHBondContact O-N 2.91Å; L93-L96 PolarHBondContact O-N 3.04Å; L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 3.35Å; L93-S97 PolarHBondContact O-OG 3.25Å
94	L	70.7	Confident	65.5	Low	105 Å²	105	107.5 Å²	107.5	55%	0.55	54%	0.544	S	S	.	.	H	α-helix	trans	-61.5	-48	171.2	-70	172.1	0	0	0	110	E90 L96 S97 E98	E90-L94 HydrophobicContact CG-CD1 4.44Å; E90-L94 WeakPolarHBondContact O-CB 3.42Å; E90-L94 VanDerWaalsContact O-CG 3.23Å; E90-L94 WeakPolarHBondContact O-CG 3.23Å; E90-L94 PolarHBondContact O-N 3.27Å; L94-L96 PolarHBondContact O-N 3.36Å; L94-S97 PolarHBondContact O-N 2.87Å; L94-S97 PolarHBondContact O-OG 3.3Å; L94-E98 WeakPolarHBondContact O-CB 3.42Å; L94-E98 PolarHBondContact O-N 3.5Å
95	K	68.5	Low	64.8	Low	128 Å²	128	105.7 Å²	105.7	56%	0.557	55%	0.547	S	S	*	.	H	α-helix	trans	-61.6	-40.6	174.6	-72.4	174.9	-178.9	-177.4	0	113.3	V91 N92 E98 A99	V91-K95 HydrophobicContact CG1-CD 4.36Å; V91-K95 WeakPolarHBondContact O-CB 3.49Å; V91-K95 VanDerWaalsContact O-CG 3.23Å; V91-K95 WeakPolarHBondContact O-CG 3.24Å; V91-K95 PolarHBondContact O-N 2.87Å; V91-K95 VanDerWaalsContact O-N 3.12Å; N92-K95 PolarHBondContact O-N 3.49Å; K95-E98 PolarHBondContact O-N 2.99Å; K95-A99 WeakPolarHBondContact O-CB 3.45Å; K95-A99 PolarHBondContact O-N 3.36Å
96	L	68.3	Low	63.9	Low	97 Å²	97	111 Å²	111	51%	0.508	57%	0.57	S	S	.	*	H	α-helix	trans	-67.6	-40.3	176.2	-75.7	171.1	0	0	0	111.2	N92 L93 L94 E98 A99 E100	N92-L96 WeakPolarHBondContact O-CB 3.42Å; N92-L96 WeakPolarHBondContact O-CG 3.37Å; N92-L96 PolarHBondContact O-N 3.28Å; L93-L96 PolarHBondContact O-N 3.04Å; L94-L96 PolarHBondContact O-N 3.36Å; L96-E98 PolarHBondContact O-N 3.38Å; L96-A99 CarbonylContact O-C 3.46Å; L96-A99 PolarHBondContact O-N 3.39Å; L96-E100 WeakPolarHBondContact O-CB 3.26Å; L96-E100 VanDerWaalsContact O-CG 3.29Å; L96-E100 WeakPolarHBondContact O-CG 3.48Å; L96-E100 PolarHBondContact O-N 3.12Å
97	S	63.2	Low	63	Low	48 Å²	48	107.4 Å²	107.4	34%	0.336	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-33.2	176.5	76.9	0	0	0	0	112	L93 L94 R101	L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 3.35Å; L93-S97 PolarHBondContact O-OG 3.25Å; L94-S97 PolarHBondContact O-N 2.87Å; L94-S97 PolarHBondContact O-OG 3.3Å; S97-R101 WeakPolarHBondContact O-CG 3.29Å; S97-R101 PolarHBondContact O-N 3.29Å
98	E	67.1	Low	62.5	Low	138 Å²	138	111.2 Å²	111.2	65%	0.645	57%	0.573	S	S	*	*	H	α-helix	trans	-72	-38.2	175.4	-158.7	160.9	-144.8	0	0	111.1	L94 K95 L96	L94-E98 WeakPolarHBondContact O-CB 3.42Å; L94-E98 PolarHBondContact O-N 3.5Å; K95-E98 PolarHBondContact O-N 2.99Å; L96-E98 PolarHBondContact O-N 3.38Å
99	A	61.7	Low	62	Low	50 Å²	50	116.9 Å²	116.9	41%	0.413	59%	0.593	S	S	.	*	H	α-helix	trans	-70.4	-38.3	172.1	0	0	0	0	0	113.2	K95 L96 R101 L102	K95-A99 WeakPolarHBondContact O-CB 3.45Å; K95-A99 PolarHBondContact O-N 3.36Å; L96-A99 CarbonylContact O-C 3.46Å; L96-A99 PolarHBondContact O-N 3.39Å; A99-R101 VanDerWaalsContact C-N 3.28Å; A99-R101 PolarHBondContact O-N 3.14Å; A99-L102 WeakPolarHBondContact O-CB 3.47Å; A99-L102 PolarHBondContact O-N 3.02Å
100	E	60.3	Low	61.2	Low	119 Å²	119	118.9 Å²	118.9	56%	0.556	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-27.1	179.2	-79.5	179.5	158.4	0	0	112.5	L96 L102 V103	L96-E100 WeakPolarHBondContact O-CB 3.26Å; L96-E100 VanDerWaalsContact O-CG 3.29Å; L96-E100 WeakPolarHBondContact O-CG 3.48Å; L96-E100 PolarHBondContact O-N 3.12Å; E100-L102 PolarHBondContact O-N 3.4Å; E100-V103 PolarHBondContact O-N 2.83Å
101	R	58.1	Low	60.4	Low	217 Å²	217	118.3 Å²	118.3	82%	0.819	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-19.9	170.9	-75.8	178	-173.4	-178.1	2.8	113.3	S97 A99	S97-R101 WeakPolarHBondContact O-CG 3.29Å; S97-R101 PolarHBondContact O-N 3.29Å; A99-R101 VanDerWaalsContact C-N 3.28Å; A99-R101 PolarHBondContact O-N 3.14Å
102	L	61.8	Low	59.5	Low	152 Å²	152	119.3 Å²	119.3	80%	0.796	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-1.7	178.1	-58.5	-178.8	0	0	0	113.3	A99 E100	A99-L102 WeakPolarHBondContact O-CB 3.47Å; A99-L102 PolarHBondContact O-N 3.02Å; E100-L102 PolarHBondContact O-N 3.4Å
103	V	60.3	Low	57.9	Low	90 Å²	90	121.8 Å²	121.8	55%	0.545	61%	0.611	S	S	.	*	S	Bend	trans	-95.7	117.2	-179.1	179.7	0	0	0	0	109.7	E100	E100-V103 PolarHBondContact O-N 2.83Å
104	C	56	Low	56.9	Low	96 Å²	96	120.4 Å²	120.4	65%	0.649	61%	0.61	S	S	*	*			trans	-40.9	142.1	-173.8	-77.5	0	0	0	0	114.9	L106 L107	C104-L106 PolarHBondContact O-N 3.02Å; C104-L107 PolarHBondContact O-N 3.04Å
105	P	58.5	Low	56.1	Low	116 Å²	116	120.6 Å²	120.6	75%	0.753	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-54.3	-7	177.3	-27.6	34.8	0	0	0	117.2	L107 R108	P105-L107 VanDerWaalsContact C-N 3.31Å; P105-L107 PolarHBondContact O-N 3.28Å; P105-R108 PolarHBondContact O-N 2.64Å
106	L	51.1	Low	55	Low	166 Å²	166	118.6 Å²	118.6	87%	0.869	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-75.1	-13.6	-176.4	-152.4	70.4	0	0	0	114.2	C104	C104-L106 PolarHBondContact O-N 3.02Å
107	L	51	Low	54.3	Low	104 Å²	104	118.3 Å²	118.3	55%	0.545	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-96.4	-6.7	178.1	-148.6	76.8	0	0	0	113.7	C104 P105 E109 Q110	C104-L107 PolarHBondContact O-N 3.04Å; P105-L107 VanDerWaalsContact C-N 3.31Å; P105-L107 PolarHBondContact O-N 3.28Å; L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 3.1Å; L107-Q110 WeakPolarHBondContact O-CB 3.31Å; L107-Q110 PolarHBondContact O-N 2.84Å; L107-Q110 VanDerWaalsContact O-N 3.14Å
108	R	52.7	Low	53.7	Low	204 Å²	204	124.9 Å²	124.9	77%	0.77	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-70.3	-24.6	-173.4	-167.1	175	-74.5	-110.6	-0.4	112.7	P105 Q110 Q111	P105-R108 PolarHBondContact O-N 2.64Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 3.45Å; R108-Q111 PolarHBondContact O-N 3.43Å
109	E	50.7	Low	53.2	Low	176 Å²	176	123 Å²	123	82%	0.822	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-74.6	-18.2	175.4	-150	129.4	-147.1	0	0	112.9	L107	L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 3.1Å
110	Q	51.5	Low	52.6	Low	129 Å²	129	122.8 Å²	122.8	60%	0.603	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-81	-20.8	174.8	-72.1	-79.2	-38.8	0	0	112.7	L107 R108 S112 W113	L107-Q110 WeakPolarHBondContact O-CB 3.31Å; L107-Q110 PolarHBondContact O-N 2.84Å; L107-Q110 VanDerWaalsContact O-N 3.14Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 3.45Å; Q110-S112 VanDerWaalsContact C-N 3.33Å; Q110-S112 PolarHBondContact O-N 3.32Å; Q110-W113 WeakPolarHBondContact O-CB 2.84Å; Q110-W113 PolarHBondContact O-N 3.48Å
111	Q	48.5	Very low	52.1	Low	103 Å²	103	125.8 Å²	125.8	48%	0.481	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-21.1	-175.3	-67.1	-98.3	11.4	0	0	113.2	R108 W113 S114	R108-Q111 PolarHBondContact O-N 3.43Å; Q111-W113 PolarHBondContact O-N 3.24Å; Q111-S114 VanDerWaalsContact O-CB 3.23Å; Q111-S114 WeakPolarHBondContact O-CB 3.34Å; Q111-S114 PolarHBondContact O-N 3.12Å
112	S	48.3	Very low	51.7	Low	78 Å²	78	120.6 Å²	120.6	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-60	-32.5	173.1	-173	0	0	0	0	111.9	Q110 S114 V115 M116	Q110-S112 VanDerWaalsContact C-N 3.33Å; Q110-S112 PolarHBondContact O-N 3.32Å; S112-S114 VanDerWaalsContact C-N 3.27Å; S112-S114 PolarHBondContact O-N 3.09Å; S112-V115 PolarHBondContact O-N 3.44Å; S112-M116 PolarHBondContact O-N 3.02Å
113	W	36.6	Very low	51.4	Low	138 Å²	138	118.4 Å²	118.4	52%	0.523	62%	0.618	S	S	.	*	H	α-helix	trans	-69.3	-24.2	175.7	-62.2	76.5	0	0	0	112.5	Q110 Q111 V115 M116 I117	Q110-W113 WeakPolarHBondContact O-CB 2.84Å; Q110-W113 PolarHBondContact O-N 3.48Å; Q111-W113 PolarHBondContact O-N 3.24Å; W113-V115 PolarHBondContact O-N 3.35Å; W113-M116 CarbonylContact O-C 3.42Å; W113-M116 WeakPolarHBondContact O-CA 3.29Å; W113-M116 VanDerWaalsContact O-CB 3.29Å; W113-M116 WeakPolarHBondContact O-CB 3.37Å; W113-M116 PolarHBondContact O-N 3.17Å; W113-M116 VanDerWaalsContact O-N 3.1Å; W113-I117 WeakPolarHBondContact O-CG1 3.31Å; W113-I117 PolarHBondContact O-N 3.21Å
114	S	49.6	Very low	50.5	Low	74 Å²	74	119.2 Å²	119.2	52%	0.517	62%	0.618	S	S	.	*	H	α-helix	trans	-69.4	-33.8	-179.1	-159.2	0	0	0	0	112.4	Q111 S112 I117	Q111-S114 VanDerWaalsContact O-CB 3.23Å; Q111-S114 WeakPolarHBondContact O-CB 3.34Å; Q111-S114 PolarHBondContact O-N 3.12Å; S112-S114 VanDerWaalsContact C-N 3.27Å; S112-S114 PolarHBondContact O-N 3.09Å; S114-I117 PolarHBondContact O-N 2.92Å
115	V	54.7	Low	49.9	Very low	110 Å²	110	120.4 Å²	120.4	67%	0.667	63%	0.627	S	S	*	*	H	α-helix	trans	-73.1	-32.2	170.5	-169.2	0	0	0	0	110.8	S112 W113	S112-V115 PolarHBondContact O-N 3.44Å; W113-V115 PolarHBondContact O-N 3.35Å
116	M	44.9	Very low	49.1	Very low	85 Å²	85	117.8 Å²	117.8	42%	0.419	62%	0.615	S	S	.	*	H	α-helix	trans	-64.8	-37.6	167.9	-78.4	-169.5	-142.8	0	0	111.8	S112 W113 F118 V119 H120	S112-M116 PolarHBondContact O-N 3.02Å; W113-M116 CarbonylContact O-C 3.42Å; W113-M116 WeakPolarHBondContact O-CA 3.29Å; W113-M116 VanDerWaalsContact O-CB 3.29Å; W113-M116 WeakPolarHBondContact O-CB 3.37Å; W113-M116 PolarHBondContact O-N 3.17Å; W113-M116 VanDerWaalsContact O-N 3.1Å; M116-F118 PolarHBondContact O-N 3.34Å; M116-V119 CarbonylContact O-C 3.6Å; M116-V119 PolarHBondContact O-N 3.37Å; M116-H120 HydrophobicContact CB-CB 4.24Å; M116-H120 VanDerWaalsContact O-CA 3.31Å; M116-H120 WeakPolarHBondContact O-CA 3.41Å; M116-H120 WeakPolarHBondContact O-CB 3.32Å; M116-H120 PolarHBondContact O-N 3.02Å
117	I	52.9	Low	48.5	Very low	92 Å²	92	115.1 Å²	115.1	47%	0.472	61%	0.608	S	S	.	*	H	α-helix	trans	-58.3	-29.2	-175.2	-65.4	-50.6	0	0	0	114.1	W113 S114 K121	W113-I117 WeakPolarHBondContact O-CG1 3.31Å; W113-I117 PolarHBondContact O-N 3.21Å; S114-I117 PolarHBondContact O-N 2.92Å; I117-K121 WeakPolarHBondContact O-CB 3.3Å; I117-K121 PolarHBondContact O-N 3.47Å
118	F	50.4	Low	48	Very low	186 Å²	186	120.6 Å²	120.6	82%	0.816	62%	0.621	S	S	*	*	H	α-helix	trans	-83.5	-31.3	175.5	-159.8	-99.4	0	0	0	113.5	M116	M116-F118 PolarHBondContact O-N 3.34Å
119	V	56.7	Low	47.3	Very low	99 Å²	99	115 Å²	115	60%	0.6	61%	0.613	S	S	*	*	H	α-helix	trans	-83.7	-31	176.6	179.8	0	0	0	0	111.6	M116 S122	M116-V119 CarbonylContact O-C 3.6Å; M116-V119 PolarHBondContact O-N 3.37Å; V119-S122 PolarHBondContact O-N 2.74Å
120	H	50.5	Low	46.8	Very low	44 Å²	44	118 Å²	118	20%	0.204	62%	0.617	C	S	.	*	H	α-helix	trans	-91.2	-21.6	-171.5	-161.6	-126.2	0	0	0	112.9	M116 S122 V123 M124	M116-H120 HydrophobicContact CB-CB 4.24Å; M116-H120 VanDerWaalsContact O-CA 3.31Å; M116-H120 WeakPolarHBondContact O-CA 3.41Å; M116-H120 WeakPolarHBondContact O-CB 3.32Å; M116-H120 PolarHBondContact O-N 3.02Å; H120-S122 PolarHBondContact O-N 2.95Å; H120-V123 PolarHBondContact O-N 2.8Å; H120-V123 VanDerWaalsContact O-N 3.09Å; H120-M124 VanDerWaalsContact NE2-CG 3.32Å; H120-M124 WeakPolarHBondContact NE2-CG 3.34Å; H120-M124 PolarHBondContact NE2-SD 3.18Å; H120-M124 VanDerWaalsContact NE2-SD 3.44Å; H120-M124 PolarHBondContact O-N 2.81Å; H120-M124 VanDerWaalsContact O-N 3.12Å
121	K	48.7	Very low	46.5	Very low	183 Å²	183	119.7 Å²	119.7	80%	0.796	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	164.2	-96	-170.6	176.4	-165.3	0	113.3	I117	I117-K121 WeakPolarHBondContact O-CB 3.3Å; I117-K121 PolarHBondContact O-N 3.47Å
122	S	49.5	Very low	46.2	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-5.3	173.3	-64	0	0	0	0	113.9	V119 H120	V119-S122 PolarHBondContact O-N 2.74Å; H120-S122 PolarHBondContact O-N 2.95Å
123	V	55.8	Low	46.2	Very low	106 Å²	106	126.6 Å²	126.6	64%	0.642	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	-19.5	-171.6	168.7	0	0	0	0	114.5	H120	H120-V123 PolarHBondContact O-N 2.8Å; H120-V123 VanDerWaalsContact O-N 3.09Å
124	M	42.4	Very low	46.4	Very low	107 Å²	107	125.9 Å²	125.9	53%	0.527	67%	0.668	S	S	.	*			trans	-127.6	85.4	-175.7	-69	-137.6	175.1	0	0	114.9	H120 A126	H120-M124 VanDerWaalsContact NE2-CG 3.32Å; H120-M124 WeakPolarHBondContact NE2-CG 3.34Å; H120-M124 PolarHBondContact NE2-SD 3.18Å; H120-M124 VanDerWaalsContact NE2-SD 3.44Å; H120-M124 PolarHBondContact O-N 2.81Å; H120-M124 VanDerWaalsContact O-N 3.12Å; M124-A126 VanDerWaalsContact C-N 3.29Å; M124-A126 PolarHBondContact O-N 2.85Å
125	S	43.4	Very low	46.1	Very low	122 Å²	122	130.5 Å²	130.5	85%	0.853	69%	0.686	S	S	*	*			trans	-78	74.8	157.9	-64.4	0	0	0	0	109.9
126	A	40.3	Very low	45.2	Very low	60 Å²	60	133.5 Å²	133.5	50%	0.496	69%	0.691	S	S	.	*	S	Bend	trans	-147.1	150.9	172.4	0	0	0	0	0	110.3	M124 W128	M124-A126 VanDerWaalsContact C-N 3.29Å; M124-A126 PolarHBondContact O-N 2.85Å; A126-W128 PolarHBondContact O-N 2.92Å
127	P	39.7	Very low	45.2	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	71%	0.706	S	S	*	*			trans	-84	113.7	-147.8	31.5	-32.9	0	0	0	112.9	S129	P127-S129 PolarHBondContact O-N 3.09Å
128	W	39.7	Very low	44.6	Very low	220 Å²	220	142.1 Å²	142.1	83%	0.833	74%	0.736	S	S	*	*			trans	-80.6	61	167.7	-59.9	85.3	0	0	0	110.1	A126	A126-W128 PolarHBondContact O-N 2.92Å
129	S	39.3	Very low	44.3	Very low	86 Å²	86	139.9 Å²	139.9	60%	0.601	73%	0.733	S	S	*	*			trans	-128.5	111.7	167.7	55.1	0	0	0	0	106.8	P127	P127-S129 PolarHBondContact O-N 3.09Å
130	R	40.3	Very low	43.6	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	74%	0.739	S	S	*	*			trans	90.5	76	-176.4	-60.6	177	171.8	-164.5	-3.4	116.3
131	L	44.5	Very low	43.3	Very low	166 Å²	166	147.5 Å²	147.5	87%	0.869	77%	0.769	S	S	*	*				-144.8	78.9	128	-76.8	-177.9	0	0	0	107.5	V133	L131-V133 HydrophobicContact CD2-CG2 4.46Å; L131-V133 PolarHBondContact O-N 2.86Å
132	K	42.2	Very low	42.9	Very low	211 Å²	211	145.4 Å²	145.4	92%	0.917	77%	0.768	S	S	*	*			trans	-72.2	106.9	154.6	-76.6	-179.9	174	174.7	0	105.5
133	V	49	Very low	42.5	Very low	114 Å²	114	147.8 Å²	147.8	69%	0.691	77%	0.769	S	S	*	*			trans	-132.1	90.5	167.8	-174.3	0	0	0	0	108	L131	L131-V133 HydrophobicContact CD2-CG2 4.46Å; L131-V133 PolarHBondContact O-N 2.86Å
134	T	40.6	Very low	41.6	Very low	123 Å²	123	150.6 Å²	150.6	76%	0.755	78%	0.777	S	S	*	*			trans	-2	114.2	146.4	46.6	0	0	0	0	116.8
135	L	43.9	Very low	41.6	Very low	171 Å²	171	153.7 Å²	153.7	90%	0.895	80%	0.795	S	S	*	*			trans	-121.3	115.9	143.3	-165.6	67	0	0	0	107.4
136	F	34.4	Very low	41.5	Very low	173 Å²	173	156.2 Å²	156.2	76%	0.759	79%	0.791	S	S	*	*			trans	-68.7	175	170.2	-116.6	-101	0	0	0	110.9
137	L	46	Very low	41.6	Very low	140 Å²	140	164.2 Å²	164.2	73%	0.733	82%	0.815	S	S	*	*			trans	117.6	118.5	157.1	-61.6	157.8	0	0	0	111.1
138	I	39.2	Very low	41.7	Very low	218 Å²	218	169.1 Å²	169.1	100%	1.118	83%	0.825	S	S	*	*				53.5	0	66.4	-55.9	177.2	0	0	0	110.3

Retrieved 138 of 138 residues in 28.3 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).