A0A087WNL0_MOUSE Loading...

Calmodulin 5

AlphaFold DB , UniProt , Accession A0A087WNL0, Species MOUSE (Mus musculus, Mouse), Gene Calm5, Length 117 aa.

						>A0A087WNL0_MOUSE|A0A087WNL0|Calm5
MKQLGKNLSHEELKALISKLDTDGDGKISFEEFFKSIKKYTKEQELQAMFSVLDQNGDGYITVDELKEGLSKMGEPLSQEELEGMIHVFGADQDGKVNYEQFLSHYIETVYKVHISD
					

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(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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	36.5	Very low	243 Å²	243	145.9 Å²	145.9	100%	1.197	74%	0.735	S	S	*	*				0	103.3	0	-66.7	170.6	-171.5	0	106.1
2	K	27.3	Very low	37.2	Very low	212 Å²	212	142.2 Å²	142.2	92%	0.922	71%	0.713	S	S	*	*			trans	-87	116.3	-171.7	-84.5	-175.7	175.2	-179.6	108.7	L4	K2-L4 PolarHBondContact O-N 3.49Å
3	Q	36	Very low	37.8	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	67%	0.665	S	S	*	*			trans	-43.8	116.6	172.5	-70.9	160.8	-34.1	0	111.4	G5	Q3-G5 PolarHBondContact O-N 3.02Å
4	L	35	Very low	38.3	Very low	170 Å²	170	133.9 Å²	133.9	89%	0.89	67%	0.665	S	S	*	*	S	Bend	trans	-72.8	58.7	151.8	-91.4	140	0	0	108.1	K2	K2-L4 PolarHBondContact O-N 3.49Å
5	G	37.7	Very low	39.4	Very low	51 Å²	51	128.7 Å²	128.7	53%	0.526	65%	0.651	S	S	.	*			trans	-146.4	43.2	-171.3	0	0	0	0	110.7	Q3	Q3-G5 PolarHBondContact O-N 3.02Å
6	K	36.7	Very low	40.2	Very low	185 Å²	185	123.7 Å²	123.7	80%	0.804	63%	0.626	S	S	*	*			trans	-86.3	111.7	162.5	-83.7	-170.4	169.8	-170.4	106.8	L8	K6-L8 VanDerWaalsContact C-N 3.26Å; K6-L8 PolarHBondContact O-N 2.75Å
7	N	40.6	Very low	40.8	Very low	147 Å²	147	119.8 Å²	119.8	79%	0.786	61%	0.607	S	S	*	*			trans	-52.4	95.1	160	-86.8	31.5	0	0	108	S9	N7-S9 PolarHBondContact O-N 3.28Å
8	L	39.7	Very low	41.9	Very low	65 Å²	65	118.3 Å²	118.3	34%	0.34	61%	0.609	S	S	.	*			trans	-72.4	122.2	172.5	-74.1	159.9	0	0	107	K6 E12 L13	K6-L8 VanDerWaalsContact C-N 3.26Å; K6-L8 PolarHBondContact O-N 2.75Å; L8-E12 HydrophobicContact CD2-CB 4.09Å; L8-L13 HydrophobicContact CB-CD1 3.96Å
9	S	38	Very low	43	Very low	62 Å²	62	118.7 Å²	118.7	43%	0.434	61%	0.606	S	S	.	*			trans	-70.4	158.1	-179.9	51.6	0	0	0	111.5	N7 E11 E12 L13	N7-S9 PolarHBondContact O-N 3.28Å; S9-E11 PolarHBondContact O-N 3.03Å; S9-E12 PolarHBondContact N-OE2 2.99Å; S9-E12 CarbonylContact O-C 3.55Å; S9-E12 WeakPolarHBondContact O-CA 3.3Å; S9-E12 WeakPolarHBondContact O-CB 3.1Å; S9-E12 PolarHBondContact O-N 3.47Å; S9-E12 VanDerWaalsContact OG-CG 3.32Å; S9-E12 WeakPolarHBondContact OG-CG 3.45Å; S9-E12 PolarHBondContact OG-OE2 2.77Å; S9-L13 PolarHBondContact O-N 3Å
10	H	36.5	Very low	43.8	Very low	127 Å²	127	113.1 Å²	113.1	59%	0.588	58%	0.577	S	S	*	*	H	α-helix	trans	-52.4	-35.5	-174.6	-163.3	83.6	0	0	113.5	K14	H10-K14 WeakPolarHBondContact O-CB 3.26Å; H10-K14 PolarHBondContact O-N 3.17Å
11	E	41.8	Very low	44.9	Very low	167 Å²	167	109 Å²	109	78%	0.78	56%	0.557	S	S	*	*	H	α-helix	trans	-74.6	-40.1	174.8	-66	-153.6	132.3	0	113	S9 L13 A15	S9-E11 PolarHBondContact O-N 3.03Å; E11-L13 PolarHBondContact O-N 3.09Å; E11-A15 WeakPolarHBondContact O-CB 3.16Å; E11-A15 PolarHBondContact O-N 2.78Å
12	E	44	Very low	46.4	Very low	101 Å²	101	101.9 Å²	101.9	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-30.8	173.3	-70.7	-179.5	124.8	0	111.2	L8 S9 L16	L8-E12 HydrophobicContact CD2-CB 4.09Å; S9-E12 PolarHBondContact N-OE2 2.99Å; S9-E12 CarbonylContact O-C 3.55Å; S9-E12 WeakPolarHBondContact O-CA 3.3Å; S9-E12 WeakPolarHBondContact O-CB 3.1Å; S9-E12 PolarHBondContact O-N 3.47Å; S9-E12 VanDerWaalsContact OG-CG 3.32Å; S9-E12 WeakPolarHBondContact OG-CG 3.45Å; S9-E12 PolarHBondContact OG-OE2 2.77Å; E12-L16 WeakPolarHBondContact O-CB 3.25Å; E12-L16 PolarHBondContact O-N 2.65Å
13	L	45.3	Very low	48.4	Very low	16 Å²	16	96.7 Å²	96.7	8%	0.084	51%	0.509	C	S	.	.	H	α-helix	trans	-73.3	-48.6	177.7	-149.3	85.2	0	0	113.4	L8 S9 E11 A15 L16 I17 Y111	L8-L13 HydrophobicContact CB-CD1 3.96Å; S9-L13 PolarHBondContact O-N 3Å; E11-L13 PolarHBondContact O-N 3.09Å; L13-A15 PolarHBondContact O-N 3.42Å; L13-L16 CarbonylContact O-C 3.58Å; L13-L16 WeakPolarHBondContact O-CA 2.85Å; L13-L16 WeakPolarHBondContact O-CB 3.24Å; L13-L16 PolarHBondContact O-N 2.93Å; L13-I17 HydrophobicContact CD2-CD1 4.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 2.94Å; L13-Y111 HydrophobicContact CD1-CD1 3.58Å; L13-Y111 HydrophobicContact CD1-CE1 2.96Å; L13-Y111 HydrophobicContact CD1-CE2 4.2Å; L13-Y111 HydrophobicContact CD1-CG 4.41Å; L13-Y111 WeakPolarHBondContact CD1-OH 3.23Å; L13-Y111 HydrophobicContact CD2-CD1 3.25Å; L13-Y111 HydrophobicContact CD2-CD2 4.22Å; L13-Y111 HydrophobicContact CD2-CE1 3.66Å; L13-Y111 HydrophobicContact CD2-CE2 4.45Å; L13-Y111 HydrophobicContact CD2-CG 3.54Å; L13-Y111 HydrophobicContact CG-CD1 3.99Å; L13-Y111 HydrophobicContact CG-CE1 3.88Å
14	K	44.8	Very low	49.9	Very low	153 Å²	153	91.1 Å²	91.1	67%	0.665	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-36.1	176	-160.1	173.8	-173.9	177.2	110.4	H10 L16 S18	H10-K14 WeakPolarHBondContact O-CB 3.26Å; H10-K14 PolarHBondContact O-N 3.17Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-S18 WeakPolarHBondContact O-CB 3.14Å; K14-S18 PolarHBondContact O-N 3.44Å
15	A	54.3	Low	51.4	Low	55 Å²	55	87.1 Å²	87.1	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-69.8	-27.6	171	0	0	0	0	113.1	E11 L13 K19	E11-A15 WeakPolarHBondContact O-CB 3.16Å; E11-A15 PolarHBondContact O-N 2.78Å; L13-A15 PolarHBondContact O-N 3.42Å; A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 WeakPolarHBondContact O-CG 3.46Å; A15-K19 PolarHBondContact O-N 2.88Å
16	L	53.2	Low	52.2	Low	49 Å²	49	87.5 Å²	87.5	26%	0.257	48%	0.483	S	S	.	.	H	α-helix	trans	-73.6	-51.6	174.3	-142.2	93.4	0	0	110.3	E12 L13 K14 K19 L20	E12-L16 WeakPolarHBondContact O-CB 3.25Å; E12-L16 PolarHBondContact O-N 2.65Å; L13-L16 CarbonylContact O-C 3.58Å; L13-L16 WeakPolarHBondContact O-CA 2.85Å; L13-L16 WeakPolarHBondContact O-CB 3.24Å; L13-L16 PolarHBondContact O-N 2.93Å; K14-L16 VanDerWaalsContact C-N 3.33Å; L16-K19 CarbonylContact O-C 3.57Å; L16-K19 WeakPolarHBondContact O-CA 3.43Å; L16-K19 VanDerWaalsContact O-CB 3.31Å; L16-K19 WeakPolarHBondContact O-CB 3.32Å; L16-K19 PolarHBondContact O-N 3.43Å; L16-L20 HydrophobicContact CB-CD1 4.36Å; L16-L20 HydrophobicContact CD2-CD1 3.73Å; L16-L20 HydrophobicContact CG-CD1 3.93Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 VanDerWaalsContact O-CD1 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 2.83Å
17	I	50	Low	53	Low	58 Å²	58	85 Å²	85	30%	0.297	47%	0.472	S	S	.	.	H	α-helix	trans	-59.3	-50.9	178.2	-65.9	173	0	0	109.4	L13 K19 L20 D21 I28 I107	L13-I17 HydrophobicContact CD2-CD1 4.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 2.94Å; I17-K19 PolarHBondContact O-N 3.41Å; I17-K19 VanDerWaalsContact O-N 3.12Å; I17-L20 WeakPolarHBondContact O-CB 3.43Å; I17-L20 PolarHBondContact O-N 3.42Å; I17-D21 WeakPolarHBondContact O-CB 3.39Å; I17-D21 PolarHBondContact O-N 2.9Å; I17-I28 HydrophobicContact CG1-CD1 4.38Å; I17-I28 HydrophobicContact CG2-CD1 4.48Å; I17-I107 HydrophobicContact CD1-CG2 4.24Å; I17-I107 HydrophobicContact CG1-CG2 4.37Å
18	S	60.8	Low	53.6	Low	93 Å²	93	78.4 Å²	78.4	65%	0.65	44%	0.437	S	S	*	.	H	α-helix	trans	-67.1	-13	176.4	-170	0	0	0	114.1	K14	K14-S18 WeakPolarHBondContact O-CB 3.14Å; K14-S18 PolarHBondContact O-N 3.44Å
19	K	62.6	Low	54.4	Low	126 Å²	126	76.5 Å²	76.5	55%	0.548	43%	0.429	S	S	.	.	H	α-helix	trans	-89.4	-29.2	170.1	-107	177.3	170.3	171.5	113.2	A15 L16 I17	A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 WeakPolarHBondContact O-CG 3.46Å; A15-K19 PolarHBondContact O-N 2.88Å; L16-K19 CarbonylContact O-C 3.57Å; L16-K19 WeakPolarHBondContact O-CA 3.43Å; L16-K19 VanDerWaalsContact O-CB 3.31Å; L16-K19 WeakPolarHBondContact O-CB 3.32Å; L16-K19 PolarHBondContact O-N 3.43Å; I17-K19 PolarHBondContact O-N 3.41Å; I17-K19 VanDerWaalsContact O-N 3.12Å
20	L	58.1	Low	55.1	Low	6 Å²	6	77.1 Å²	77.1	3%	0.031	42%	0.424	C	S	.	.	H	α-helix	trans	-79.8	-53.3	-177.7	-86.5	152.4	0	0	108.8	L16 I17 T22 I28 E32 F33 S36	L16-L20 HydrophobicContact CB-CD1 4.36Å; L16-L20 HydrophobicContact CD2-CD1 3.73Å; L16-L20 HydrophobicContact CG-CD1 3.93Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 VanDerWaalsContact O-CD1 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 2.83Å; I17-L20 WeakPolarHBondContact O-CB 3.43Å; I17-L20 PolarHBondContact O-N 3.42Å; L20-T22 PolarHBondContact O-N 3.12Å; L20-T22 PolarHBondContact O-OG1 3.28Å; L20-I28 HydrophobicContact CB-CD1 3.79Å; L20-I28 HydrophobicContact CB-CG1 3.94Å; L20-I28 HydrophobicContact CB-CG2 4.18Å; L20-I28 HydrophobicContact CD1-CD1 3.92Å; L20-I28 HydrophobicContact CD2-CG2 4.01Å; L20-I28 HydrophobicContact CG-CD1 4.32Å; L20-E32 VanDerWaalsContact O-CB 3.27Å; L20-E32 WeakPolarHBondContact O-CB 3.33Å; L20-E32 WeakPolarHBondContact O-CG 3.38Å; L20-F33 HydrophobicContact CD2-CD2 4.4Å; L20-S36 WeakPolarHBondContact CD2-OG 3.45Å; L20-S36 WeakPolarHBondContact CG-OG 3.47Å
21	D	66.9	Low	56.2	Low	27 Å²	27	78.7 Å²	78.7	14%	0.144	43%	0.431	C	S	.	.			trans	-63.2	82.9	171	-176.6	10.4	0	0	109.4	I17 G24 D25 G26 K27	I17-D21 WeakPolarHBondContact O-CB 3.39Å; I17-D21 PolarHBondContact O-N 2.9Å; D21-G24 VanDerWaalsContact OD1-C 3.31Å; D21-G24 WeakPolarHBondContact OD1-CA 3.36Å; D21-G24 PolarHBondContact OD1-N 3.44Å; D21-D25 PolarHBondContact OD1-N 3.45Å; D21-G26 VanDerWaalsContact OD2-CA 3.3Å; D21-G26 WeakPolarHBondContact OD2-CA 3.46Å; D21-G26 PolarHBondContact OD2-N 3.12Å; D21-K27 WeakPolarHBondContact CB-O 3.3Å
22	T	66	Low	57.4	Low	93 Å²	93	71.3 Å²	71.3	57%	0.571	40%	0.397	S	S	*	.	S	Bend	trans	-86.1	-25.7	-174.7	-48.1	0	0	0	110	L20 E32	L20-T22 PolarHBondContact O-N 3.12Å; L20-T22 PolarHBondContact O-OG1 3.28Å; T22-E32 WeakPolarHBondContact CA-OE1 3.29Å; T22-E32 PolarHBondContact N-OE1 2.87Å
23	D	69.3	Low	58.2	Low	103 Å²	103	67.6 Å²	67.6	55%	0.551	38%	0.379	S	S	*	.	S	Bend	trans	-90.6	-13.2	175.5	72.3	10.4	0	0	113.9	D25 E32	D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 VanDerWaalsContact OD1-CB 3.29Å; D23-D25 WeakPolarHBondContact OD1-CB 3.49Å; D23-D25 PolarHBondContact OD1-N 3Å; D23-E32 PolarHBondContact N-OE1 3.35Å
24	G	66.6	Low	58.7	Low	59 Å²	59	69.3 Å²	69.3	61%	0.608	39%	0.386	S	S	*	.			trans	76	20.3	175.1	0	0	0	0	113.2	D21 G26	D21-G24 VanDerWaalsContact OD1-C 3.31Å; D21-G24 WeakPolarHBondContact OD1-CA 3.36Å; D21-G24 PolarHBondContact OD1-N 3.44Å; G24-G26 PolarHBondContact O-N 3.2Å
25	D	66.6	Low	59.6	Low	86 Å²	86	69 Å²	69	46%	0.46	39%	0.385	S	S	.	.	S	Bend	trans	-78.1	-4.8	-178.7	89.8	-20.9	0	0	113	D21 D23 K27	D21-D25 PolarHBondContact OD1-N 3.45Å; D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 VanDerWaalsContact OD1-CB 3.29Å; D23-D25 WeakPolarHBondContact OD1-CB 3.49Å; D23-D25 PolarHBondContact OD1-N 3Å; D25-K27 VanDerWaalsContact OD1-CA 3.26Å; D25-K27 WeakPolarHBondContact OD1-CA 3.35Å; D25-K27 VanDerWaalsContact OD1-CB 3.23Å; D25-K27 WeakPolarHBondContact OD1-CB 3.22Å; D25-K27 PolarHBondContact OD1-N 2.75Å
26	G	54.9	Low	59.7	Low	59 Å²	59	67 Å²	67	61%	0.608	37%	0.367	S	S	*	.	S	Bend	trans	78.5	8.6	-179.6	0	0	0	0	113.5	D21 G24	D21-G26 VanDerWaalsContact OD2-CA 3.3Å; D21-G26 WeakPolarHBondContact OD2-CA 3.46Å; D21-G26 PolarHBondContact OD2-N 3.12Å; G24-G26 PolarHBondContact O-N 3.2Å
27	K	52.9	Low	59.7	Low	134 Å²	134	66.6 Å²	66.6	58%	0.583	37%	0.365	S	S	*	.	S	Bend	trans	-121.1	175.9	173.6	-54.9	176.6	-178.5	174.2	108.3	D21 D25	D21-K27 WeakPolarHBondContact CB-O 3.3Å; D25-K27 VanDerWaalsContact OD1-CA 3.26Å; D25-K27 WeakPolarHBondContact OD1-CA 3.35Å; D25-K27 VanDerWaalsContact OD1-CB 3.23Å; D25-K27 WeakPolarHBondContact OD1-CB 3.22Å; D25-K27 PolarHBondContact OD1-N 2.75Å
28	I	53.7	Low	59.8	Low	8 Å²	8	68.7 Å²	68.7	4%	0.041	37%	0.372	C	S	.	.			trans	-124.8	108.2	174.5	-61.1	170.9	0	0	106.2	I17 L20 E32 F33 I107	I17-I28 HydrophobicContact CG1-CD1 4.38Å; I17-I28 HydrophobicContact CG2-CD1 4.48Å; L20-I28 HydrophobicContact CB-CD1 3.79Å; L20-I28 HydrophobicContact CB-CG1 3.94Å; L20-I28 HydrophobicContact CB-CG2 4.18Å; L20-I28 HydrophobicContact CD1-CD1 3.92Å; L20-I28 HydrophobicContact CD2-CG2 4.01Å; L20-I28 HydrophobicContact CG-CD1 4.32Å; I28-E32 HydrophobicContact CG2-CB 4.23Å; I28-F33 HydrophobicContact CG2-CB 3.86Å; I28-F33 HydrophobicContact CG2-CD2 4.38Å; I28-I107 HydrophobicContact CD1-CD1 4Å
29	S	55.4	Low	59.3	Low	25 Å²	25	71.5 Å²	71.5	18%	0.175	37%	0.372	C	S	.	.			trans	-74.8	165.1	177.1	62.6	0	0	0	112.3	E31 E32 F33 E100	S29-E31 VanDerWaalsContact C-N 3.26Å; S29-E31 PolarHBondContact O-N 2.8Å; S29-E32 WeakPolarHBondContact CB-OE2 3.28Å; S29-E32 PolarHBondContact N-OE2 2.67Å; S29-E32 PolarHBondContact O-N 3.32Å; S29-E32 WeakPolarHBondContact OG-CB 2.97Å; S29-E32 WeakPolarHBondContact OG-CG 3.39Å; S29-E32 PolarHBondContact OG-N 2.82Å; S29-E32 PolarHBondContact OG-OE2 3.22Å; S29-F33 WeakPolarHBondContact O-CB 3.31Å; S29-F33 PolarHBondContact O-N 2.9Å; S29-E100 VanDerWaalsContact CA-OE1 3.31Å; S29-E100 WeakPolarHBondContact CA-OE1 3.49Å; S29-E100 WeakPolarHBondContact CB-OE1 3.41Å
30	F	54	Low	58.5	Low	75 Å²	75	71.6 Å²	71.6	33%	0.329	37%	0.37	S	S	.	.	H	α-helix	trans	-55.4	-45.9	178.6	178.8	-87.2	0	0	110.2	E32 F34 F50 Y99 E100	F30-E32 PolarHBondContact O-N 2.79Å; F30-F34 HydrophobicContact CD1-CD2 4.34Å; F30-F34 AromaticContact CE1-CD2 3.61Å; F30-F34 HydrophobicContact CE1-CD2 3.61Å; F30-F34 AromaticContact CE1-CE2 3.97Å; F30-F34 HydrophobicContact CE1-CE2 3.97Å; F30-F34 HydrophobicContact CE1-CG 4.34Å; F30-F34 HydrophobicContact CE2-CD2 4.16Å; F30-F34 HydrophobicContact CE2-CE2 4.3Å; F30-F34 AromaticContact CZ-CD2 3.48Å; F30-F34 HydrophobicContact CZ-CD2 3.48Å; F30-F34 VanDerWaalsContact CZ-CD2 3.48Å; F30-F34 AromaticContact CZ-CE2 3.51Å; F30-F34 HydrophobicContact CZ-CE2 3.51Å; F30-F34 VanDerWaalsContact O-CB 3.31Å; F30-F34 WeakPolarHBondContact O-CB 3.25Å; F30-F34 PolarHBondContact O-N 3.29Å; F30-F50 HydrophobicContact CE2-CE2 4.15Å; F30-Y99 HydrophobicContact CB-CD1 4.32Å; F30-Y99 HydrophobicContact CB-CE1 4.5Å; F30-Y99 AromaticContact CD2-CD1 3.24Å; F30-Y99 HydrophobicContact CD2-CD1 3.24Å; F30-Y99 AromaticContact CD2-CE1 3.29Å; F30-Y99 HydrophobicContact CD2-CE1 3.29Å; F30-Y99 HydrophobicContact CD2-CG 4.03Å; F30-Y99 AromaticContact CE2-CD1 3.91Å; F30-Y99 HydrophobicContact CE2-CD1 3.91Å; F30-Y99 AromaticContact CE2-CE1 3.72Å; F30-Y99 HydrophobicContact CE2-CE1 3.72Å; F30-Y99 HydrophobicContact CE2-CG 4.41Å; F30-Y99 HydrophobicContact CG-CD1 4.2Å; F30-Y99 HydrophobicContact CG-CE1 4.17Å; F30-E100 HydrophobicContact CB-CG 3.75Å; F30-E100 PolarHBondContact N-OE1 3.07Å
31	E	59.6	Low	58	Low	160 Å²	160	73.1 Å²	73.1	75%	0.748	38%	0.38	S	S	*	.	H	α-helix	trans	-64.7	-38.4	-179.6	-76	-171.3	99.5	0	112.6	S29 K35	S29-E31 VanDerWaalsContact C-N 3.26Å; S29-E31 PolarHBondContact O-N 2.8Å; E31-K35 VanDerWaalsContact O-CB 3.3Å; E31-K35 WeakPolarHBondContact O-CB 3.35Å; E31-K35 PolarHBondContact O-N 3.49Å
32	E	65.7	Low	57.3	Low	11 Å²	11	78.7 Å²	78.7	5%	0.051	40%	0.403	C	S	.	.	H	α-helix	trans	-70.7	-43.9	179.2	-77.5	173.2	141.3	0	112.6	L20 T22 D23 I28 S29 F30 K35 S36	L20-E32 VanDerWaalsContact O-CB 3.27Å; L20-E32 WeakPolarHBondContact O-CB 3.33Å; L20-E32 WeakPolarHBondContact O-CG 3.38Å; T22-E32 WeakPolarHBondContact CA-OE1 3.29Å; T22-E32 PolarHBondContact N-OE1 2.87Å; D23-E32 PolarHBondContact N-OE1 3.35Å; I28-E32 HydrophobicContact CG2-CB 4.23Å; S29-E32 WeakPolarHBondContact CB-OE2 3.28Å; S29-E32 PolarHBondContact N-OE2 2.67Å; S29-E32 PolarHBondContact O-N 3.32Å; S29-E32 WeakPolarHBondContact OG-CB 2.97Å; S29-E32 WeakPolarHBondContact OG-CG 3.39Å; S29-E32 PolarHBondContact OG-N 2.82Å; S29-E32 PolarHBondContact OG-OE2 3.22Å; F30-E32 PolarHBondContact O-N 2.79Å; E32-K35 WeakPolarHBondContact O-CB 3.27Å; E32-K35 PolarHBondContact O-N 2.96Å; E32-S36 WeakPolarHBondContact O-CB 3.01Å; E32-S36 PolarHBondContact O-N 3.18Å
33	F	61.2	Low	56.7	Low	24 Å²	24	79.2 Å²	79.2	11%	0.105	40%	0.399	C	S	.	.	H	α-helix	trans	-62.3	-47	172.7	-173.2	-97.2	0	0	111.2	L20 I28 S29 K35 S36 I37 L46 Y99 L103 I107	L20-F33 HydrophobicContact CD2-CD2 4.4Å; I28-F33 HydrophobicContact CG2-CB 3.86Å; I28-F33 HydrophobicContact CG2-CD2 4.38Å; S29-F33 WeakPolarHBondContact O-CB 3.31Å; S29-F33 PolarHBondContact O-N 2.9Å; F33-K35 VanDerWaalsContact C-N 3.29Å; F33-K35 PolarHBondContact O-N 3.45Å; F33-S36 PolarHBondContact O-N 3.36Å; F33-I37 HydrophobicContact CD1-CD1 4.07Å; F33-I37 HydrophobicContact CD1-CG1 4.02Å; F33-I37 HydrophobicContact CD2-CD1 4.22Å; F33-I37 HydrophobicContact CD2-CG1 4.2Å; F33-I37 HydrophobicContact CE1-CD1 3.29Å; F33-I37 HydrophobicContact CE1-CG1 3.74Å; F33-I37 HydrophobicContact CE2-CD1 3.48Å; F33-I37 VanDerWaalsContact CE2-CD1 3.48Å; F33-I37 HydrophobicContact CE2-CG1 3.96Å; F33-I37 HydrophobicContact CG-CG1 4.28Å; F33-I37 HydrophobicContact CZ-CD1 3Å; F33-I37 HydrophobicContact CZ-CG1 3.78Å; F33-I37 WeakPolarHBondContact O-CG1 3.33Å; F33-I37 PolarHBondContact O-N 2.86Å; F33-L46 HydrophobicContact CE1-CD1 4.46Å; F33-Y99 HydrophobicContact CD1-CE1 4.09Å; F33-Y99 AromaticContact CD1-CZ 3.88Å; F33-Y99 WeakPolarHBondContact CD1-OH 3.45Å; F33-Y99 AromaticContact CE1-CZ 3.97Å; F33-Y99 WeakPolarHBondContact CE1-OH 3.31Å; F33-L103 HydrophobicContact CB-CD1 4.08Å; F33-L103 HydrophobicContact CD1-CD1 3.47Å; F33-L103 VanDerWaalsContact CD1-CD1 3.47Å; F33-L103 HydrophobicContact CD2-CD1 3.62Å; F33-L103 HydrophobicContact CE1-CD1 3.55Å; F33-L103 HydrophobicContact CE1-CD2 4.26Å; F33-L103 HydrophobicContact CE2-CD1 3.68Å; F33-L103 HydrophobicContact CE2-CD2 3.97Å; F33-L103 HydrophobicContact CE2-CG 4.37Å; F33-L103 HydrophobicContact CG-CD1 3.45Å; F33-L103 VanDerWaalsContact CG-CD1 3.45Å; F33-L103 HydrophobicContact CZ-CD1 3.6Å; F33-L103 HydrophobicContact CZ-CD2 3.67Å; F33-L103 HydrophobicContact CZ-CG 4.29Å; F33-I107 HydrophobicContact CE2-CD1 4.35Å
34	F	57.2	Low	56	Low	52 Å²	52	81.2 Å²	81.2	23%	0.228	41%	0.405	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177.2	-131.8	-89	0	0	111.2	F30 K38 L46	F30-F34 HydrophobicContact CD1-CD2 4.34Å; F30-F34 AromaticContact CE1-CD2 3.61Å; F30-F34 HydrophobicContact CE1-CD2 3.61Å; F30-F34 AromaticContact CE1-CE2 3.97Å; F30-F34 HydrophobicContact CE1-CE2 3.97Å; F30-F34 HydrophobicContact CE1-CG 4.34Å; F30-F34 HydrophobicContact CE2-CD2 4.16Å; F30-F34 HydrophobicContact CE2-CE2 4.3Å; F30-F34 AromaticContact CZ-CD2 3.48Å; F30-F34 HydrophobicContact CZ-CD2 3.48Å; F30-F34 VanDerWaalsContact CZ-CD2 3.48Å; F30-F34 AromaticContact CZ-CE2 3.51Å; F30-F34 HydrophobicContact CZ-CE2 3.51Å; F30-F34 VanDerWaalsContact O-CB 3.31Å; F30-F34 WeakPolarHBondContact O-CB 3.25Å; F30-F34 PolarHBondContact O-N 3.29Å; F34-K38 HydrophobicContact CD1-CD 4.19Å; F34-K38 HydrophobicContact CD1-CG 4.22Å; F34-K38 WeakPolarHBondContact O-CB 3.3Å; F34-K38 VanDerWaalsContact O-CG 3.28Å; F34-K38 WeakPolarHBondContact O-CG 3.32Å; F34-K38 PolarHBondContact O-N 3.2Å; F34-L46 HydrophobicContact CD1-CD2 3.63Å; F34-L46 HydrophobicContact CD2-CD2 3.58Å; F34-L46 HydrophobicContact CE1-CD2 3.47Å; F34-L46 VanDerWaalsContact CE1-CD2 3.47Å; F34-L46 HydrophobicContact CE2-CD2 3.4Å; F34-L46 VanDerWaalsContact CE2-CD2 3.4Å; F34-L46 HydrophobicContact CE2-CG 4.45Å; F34-L46 HydrophobicContact CG-CD2 3.7Å; F34-L46 HydrophobicContact CZ-CD2 3.36Å; F34-L46 HydrophobicContact CZ-CG 4.47Å
35	K	62.6	Low	55.5	Low	147 Å²	147	83.9 Å²	83.9	64%	0.639	40%	0.401	S	S	*	.	H	α-helix	trans	-61.4	-43.4	175.5	-118.3	173.6	178.8	169.2	112.1	E31 E32 F33 K39	E31-K35 VanDerWaalsContact O-CB 3.3Å; E31-K35 WeakPolarHBondContact O-CB 3.35Å; E31-K35 PolarHBondContact O-N 3.49Å; E32-K35 WeakPolarHBondContact O-CB 3.27Å; E32-K35 PolarHBondContact O-N 2.96Å; F33-K35 VanDerWaalsContact C-N 3.29Å; F33-K35 PolarHBondContact O-N 3.45Å; K35-K39 PolarHBondContact O-N 2.77Å
36	S	57.7	Low	55	Low	13 Å²	13	80 Å²	80	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-76	-46.4	-177.5	176	0	0	0	111.8	L20 E32 F33 K38 K39 Y40	L20-S36 WeakPolarHBondContact CD2-OG 3.45Å; L20-S36 WeakPolarHBondContact CG-OG 3.47Å; E32-S36 WeakPolarHBondContact O-CB 3.01Å; E32-S36 PolarHBondContact O-N 3.18Å; F33-S36 PolarHBondContact O-N 3.36Å; S36-K38 VanDerWaalsContact C-N 3.33Å; S36-K38 PolarHBondContact O-N 2.83Å; S36-K39 VanDerWaalsContact O-CA 3.32Å; S36-K39 WeakPolarHBondContact O-CA 3.09Å; S36-K39 WeakPolarHBondContact O-CB 3.37Å; S36-K39 PolarHBondContact O-N 3.38Å; S36-Y40 WeakPolarHBondContact O-CD2 3.35Å; S36-Y40 PolarHBondContact O-N 2.78Å; S36-Y40 VanDerWaalsContact O-N 3.12Å
37	I	51.4	Low	55.2	Low	40 Å²	40	83 Å²	83	21%	0.205	38%	0.378	C	S	.	.	H	α-helix	trans	-69.8	-32.1	177.3	-53.3	-146.9	0	0	110.8	F33 K39 Y40 T41 L46	F33-I37 HydrophobicContact CD1-CD1 4.07Å; F33-I37 HydrophobicContact CD1-CG1 4.02Å; F33-I37 HydrophobicContact CD2-CD1 4.22Å; F33-I37 HydrophobicContact CD2-CG1 4.2Å; F33-I37 HydrophobicContact CE1-CD1 3.29Å; F33-I37 HydrophobicContact CE1-CG1 3.74Å; F33-I37 HydrophobicContact CE2-CD1 3.48Å; F33-I37 VanDerWaalsContact CE2-CD1 3.48Å; F33-I37 HydrophobicContact CE2-CG1 3.96Å; F33-I37 HydrophobicContact CG-CG1 4.28Å; F33-I37 HydrophobicContact CZ-CD1 3Å; F33-I37 HydrophobicContact CZ-CG1 3.78Å; F33-I37 WeakPolarHBondContact O-CG1 3.33Å; F33-I37 PolarHBondContact O-N 2.86Å; I37-K39 PolarHBondContact O-N 2.88Å; I37-K39 VanDerWaalsContact O-N 3.12Å; I37-Y40 PolarHBondContact O-N 3.1Å; I37-Y40 VanDerWaalsContact O-N 3.1Å; I37-T41 HydrophobicContact CG2-CG2 3.89Å; I37-T41 CarbonylContact O-C 3.36Å; I37-T41 VanDerWaalsContact O-CA 3.31Å; I37-T41 WeakPolarHBondContact O-CA 3.1Å; I37-T41 VanDerWaalsContact O-CB 3.3Å; I37-T41 WeakPolarHBondContact O-CB 3.13Å; I37-T41 PolarHBondContact O-N 3.25Å; I37-L46 HydrophobicContact CB-CD1 3.55Å; I37-L46 HydrophobicContact CD1-CD1 4.25Å; I37-L46 HydrophobicContact CG1-CD1 4.36Å; I37-L46 HydrophobicContact CG2-CD1 3.22Å; I37-L46 HydrophobicContact CG2-CG 4.49Å
38	K	51.8	Low	55.7	Low	102 Å²	102	79.1 Å²	79.1	44%	0.443	37%	0.372	S	S	.	.	H	α-helix	trans	-56	-27.7	165.1	-90.4	-174.6	168.7	-172.3	113.7	F34 S36 T41 E43	F34-K38 HydrophobicContact CD1-CD 4.19Å; F34-K38 HydrophobicContact CD1-CG 4.22Å; F34-K38 WeakPolarHBondContact O-CB 3.3Å; F34-K38 VanDerWaalsContact O-CG 3.28Å; F34-K38 WeakPolarHBondContact O-CG 3.32Å; F34-K38 PolarHBondContact O-N 3.2Å; S36-K38 VanDerWaalsContact C-N 3.33Å; S36-K38 PolarHBondContact O-N 2.83Å; K38-T41 CarbonylContact C-O 3.43Å; K38-T41 WeakPolarHBondContact CA-O 3.3Å; K38-E43 WeakPolarHBondContact CE-OE2 3.4Å; K38-E43 IonicContact NZ-OE2 3.78Å; K38-E43 PolarHBondContact NZ-OE2 3.29Å
39	K	52.2	Low	56.3	Low	152 Å²	152	82.9 Å²	82.9	66%	0.661	39%	0.39	S	S	*	.	H	α-helix	trans	-81.3	-27.4	-179.9	-160.8	176.5	-176.8	172.7	112.4	K35 S36 I37	K35-K39 PolarHBondContact O-N 2.77Å; S36-K39 VanDerWaalsContact O-CA 3.32Å; S36-K39 WeakPolarHBondContact O-CA 3.09Å; S36-K39 WeakPolarHBondContact O-CB 3.37Å; S36-K39 PolarHBondContact O-N 3.38Å; I37-K39 PolarHBondContact O-N 2.88Å; I37-K39 VanDerWaalsContact O-N 3.12Å
40	Y	45.9	Very low	56.7	Low	128 Å²	128	83.6 Å²	83.6	50%	0.502	39%	0.39	S	S	.	.	H	α-helix	trans	-108.4	-15.4	-177.1	-67.5	-73.1	0	0	114.3	S36 I37	S36-Y40 WeakPolarHBondContact O-CD2 3.35Å; S36-Y40 PolarHBondContact O-N 2.78Å; S36-Y40 VanDerWaalsContact O-N 3.12Å; I37-Y40 PolarHBondContact O-N 3.1Å; I37-Y40 VanDerWaalsContact O-N 3.1Å
41	T	46.4	Very low	57.2	Low	37 Å²	37	83.9 Å²	83.9	23%	0.227	40%	0.402	C	S	.	.	S	Bend	trans	-147	146.1	-171	-79.5	0	0	0	108.9	I37 K38 E45	I37-T41 HydrophobicContact CG2-CG2 3.89Å; I37-T41 CarbonylContact O-C 3.36Å; I37-T41 VanDerWaalsContact O-CA 3.31Å; I37-T41 WeakPolarHBondContact O-CA 3.1Å; I37-T41 VanDerWaalsContact O-CB 3.3Å; I37-T41 WeakPolarHBondContact O-CB 3.13Å; I37-T41 PolarHBondContact O-N 3.25Å; K38-T41 CarbonylContact C-O 3.43Å; K38-T41 WeakPolarHBondContact CA-O 3.3Å; T41-E45 HydrophobicContact CG2-CB 3.36Å; T41-E45 HydrophobicContact CG2-CG 4.44Å
42	K	53.3	Low	57.7	Low	145 Å²	145	79 Å²	79	63%	0.63	38%	0.383	S	S	*	.			trans	-69.9	145.3	179.1	-70.2	-179.2	179.1	179	109.9	Q44 E45 L46	K42-Q44 PolarHBondContact O-N 3.02Å; K42-E45 PolarHBondContact O-N 3.28Å; K42-L46 PolarHBondContact O-N 3.15Å
43	E	53.4	Low	57.8	Low	104 Å²	104	79.3 Å²	79.3	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-46.2	-34.6	174.3	-166.6	176.9	85.7	0	112.2	K38 L46 Q47	K38-E43 WeakPolarHBondContact CE-OE2 3.4Å; K38-E43 IonicContact NZ-OE2 3.78Å; K38-E43 PolarHBondContact NZ-OE2 3.29Å; E43-L46 PolarHBondContact O-N 2.94Å; E43-Q47 VanDerWaalsContact O-CB 3.24Å; E43-Q47 WeakPolarHBondContact O-CB 3.31Å; E43-Q47 PolarHBondContact O-N 3.4Å
44	Q	53.1	Low	58.2	Low	145 Å²	145	78.9 Å²	78.9	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-66.5	-38.3	176.5	-65.7	175	-32.9	0	114.9	K42 A48	K42-Q44 PolarHBondContact O-N 3.02Å; Q44-A48 VanDerWaalsContact O-CB 3.25Å; Q44-A48 WeakPolarHBondContact O-CB 3.47Å; Q44-A48 PolarHBondContact O-N 3.03Å
45	E	56.4	Low	58.8	Low	114 Å²	114	80.5 Å²	80.5	53%	0.533	39%	0.392	S	S	.	.	H	α-helix	trans	-73.8	-35	176.8	-92.4	172.7	135.6	0	110.8	T41 K42 A48 M49	T41-E45 HydrophobicContact CG2-CB 3.36Å; T41-E45 HydrophobicContact CG2-CG 4.44Å; K42-E45 PolarHBondContact O-N 3.28Å; E45-A48 PolarHBondContact O-N 3.02Å; E45-M49 PolarHBondContact O-N 3.12Å
46	L	55.6	Low	59.3	Low	6 Å²	6	77.7 Å²	77.7	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-66.5	-46	174.2	-163.2	82.9	0	0	111	F33 F34 I37 K42 E43 A48 M49 F50	F33-L46 HydrophobicContact CE1-CD1 4.46Å; F34-L46 HydrophobicContact CD1-CD2 3.63Å; F34-L46 HydrophobicContact CD2-CD2 3.58Å; F34-L46 HydrophobicContact CE1-CD2 3.47Å; F34-L46 VanDerWaalsContact CE1-CD2 3.47Å; F34-L46 HydrophobicContact CE2-CD2 3.4Å; F34-L46 VanDerWaalsContact CE2-CD2 3.4Å; F34-L46 HydrophobicContact CE2-CG 4.45Å; F34-L46 HydrophobicContact CG-CD2 3.7Å; F34-L46 HydrophobicContact CZ-CD2 3.36Å; F34-L46 HydrophobicContact CZ-CG 4.47Å; I37-L46 HydrophobicContact CB-CD1 3.55Å; I37-L46 HydrophobicContact CD1-CD1 4.25Å; I37-L46 HydrophobicContact CG1-CD1 4.36Å; I37-L46 HydrophobicContact CG2-CD1 3.22Å; I37-L46 HydrophobicContact CG2-CG 4.49Å; K42-L46 PolarHBondContact O-N 3.15Å; E43-L46 PolarHBondContact O-N 2.94Å; L46-A48 VanDerWaalsContact C-N 3.27Å; L46-A48 PolarHBondContact O-N 3.31Å; L46-M49 PolarHBondContact O-N 3.44Å; L46-F50 WeakPolarHBondContact O-CB 3.47Å; L46-F50 PolarHBondContact O-N 2.83Å
47	Q	59.1	Low	59.9	Low	120 Å²	120	79.9 Å²	79.9	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-64.8	-34.5	176.7	-157.2	172.9	22.9	0	111	E43 F50 S51	E43-Q47 VanDerWaalsContact O-CB 3.24Å; E43-Q47 WeakPolarHBondContact O-CB 3.31Å; E43-Q47 PolarHBondContact O-N 3.4Å; Q47-F50 PolarHBondContact O-N 2.99Å; Q47-S51 WeakPolarHBondContact O-CB 3.43Å; Q47-S51 PolarHBondContact O-N 2.82Å; Q47-S51 PolarHBondContact O-OG 3.2Å; Q47-S51 VanDerWaalsContact O-OG 3.12Å
48	A	64.6	Low	60.8	Low	53 Å²	53	80.8 Å²	80.8	44%	0.438	41%	0.414	S	S	.	.	H	α-helix	trans	-67.7	-44.4	172.8	0	0	0	0	112.5	Q44 E45 L46 F50 S51 V52	Q44-A48 VanDerWaalsContact O-CB 3.25Å; Q44-A48 WeakPolarHBondContact O-CB 3.47Å; Q44-A48 PolarHBondContact O-N 3.03Å; E45-A48 PolarHBondContact O-N 3.02Å; L46-A48 VanDerWaalsContact C-N 3.27Å; L46-A48 PolarHBondContact O-N 3.31Å; A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 PolarHBondContact O-N 2.8Å; A48-S51 PolarHBondContact O-N 2.87Å; A48-V52 WeakPolarHBondContact O-CB 3.35Å; A48-V52 WeakPolarHBondContact O-CG2 3.31Å; A48-V52 PolarHBondContact O-N 3.3Å
49	M	65.1	Low	61.4	Low	88 Å²	88	77.9 Å²	77.9	43%	0.433	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-41.2	172.4	-88.3	-174.4	74.3	0	111.3	E45 L46 V52 L53 M73	E45-M49 PolarHBondContact O-N 3.12Å; L46-M49 PolarHBondContact O-N 3.44Å; M49-V52 PolarHBondContact O-N 2.71Å; M49-L53 WeakPolarHBondContact O-CG 3.37Å; M49-L53 PolarHBondContact O-N 2.85Å; M49-L53 VanDerWaalsContact O-N 3.07Å; M49-M73 HydrophobicContact CE-CE 4.39Å; M49-M73 HydrophobicContact CE-SD 3.93Å
50	F	64.4	Low	61.9	Low	39 Å²	39	77.1 Å²	77.1	17%	0.171	41%	0.406	C	S	.	.	H	α-helix	trans	-63.7	-49	178.4	-154	-90.5	0	0	110.8	F30 L46 Q47 A48 V52 L53 D54 Y99	F30-F50 HydrophobicContact CE2-CE2 4.15Å; L46-F50 WeakPolarHBondContact O-CB 3.47Å; L46-F50 PolarHBondContact O-N 2.83Å; Q47-F50 PolarHBondContact O-N 2.99Å; A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 PolarHBondContact O-N 2.8Å; F50-V52 PolarHBondContact O-N 3.12Å; F50-L53 PolarHBondContact O-N 3.18Å; F50-L53 VanDerWaalsContact O-N 3.12Å; F50-D54 HydrophobicContact CD1-CB 3.94Å; F50-D54 HydrophobicContact CE1-CB 3.85Å; F50-D54 WeakPolarHBondContact CE1-OD2 3.15Å; F50-D54 WeakPolarHBondContact O-CB 3.44Å; F50-D54 PolarHBondContact O-N 2.94Å; F50-Y99 HydrophobicContact CD2-CE2 4.23Å; F50-Y99 HydrophobicContact CE2-CD2 4.05Å; F50-Y99 AromaticContact CE2-CE2 3.88Å; F50-Y99 HydrophobicContact CE2-CE2 3.88Å
51	S	65.6	Low	62.9	Low	82 Å²	82	71.4 Å²	71.4	57%	0.573	38%	0.384	S	S	*	.	H	α-helix	trans	-66.5	-16.5	175.2	-64.9	0	0	0	114.6	Q47 A48	Q47-S51 WeakPolarHBondContact O-CB 3.43Å; Q47-S51 PolarHBondContact O-N 2.82Å; Q47-S51 PolarHBondContact O-OG 3.2Å; Q47-S51 VanDerWaalsContact O-OG 3.12Å; A48-S51 PolarHBondContact O-N 2.87Å
52	V	69	Low	63.8	Low	58 Å²	58	71 Å²	71	35%	0.352	38%	0.382	S	S	.	.	H	α-helix	trans	-83.2	-31.4	173.7	167.2	0	0	0	111.3	A48 M49 F50 M73	A48-V52 WeakPolarHBondContact O-CB 3.35Å; A48-V52 WeakPolarHBondContact O-CG2 3.31Å; A48-V52 PolarHBondContact O-N 3.3Å; M49-V52 PolarHBondContact O-N 2.71Å; F50-V52 PolarHBondContact O-N 3.12Å; V52-M73 HydrophobicContact CG1-CE 4.42Å
53	L	66.9	Low	64.3	Low	17 Å²	17	65 Å²	65	9%	0.089	36%	0.358	C	S	.	.	H	α-helix	trans	-88.5	-54.4	178.7	-69.5	162.7	0	0	111.4	M49 F50 Q55 I61 E65 L66 L70 M73	M49-L53 WeakPolarHBondContact O-CG 3.37Å; M49-L53 PolarHBondContact O-N 2.85Å; M49-L53 VanDerWaalsContact O-N 3.07Å; F50-L53 PolarHBondContact O-N 3.18Å; F50-L53 VanDerWaalsContact O-N 3.12Å; L53-Q55 PolarHBondContact O-N 3.1Å; L53-Q55 VanDerWaalsContact O-N 3.09Å; L53-I61 HydrophobicContact CB-CD1 3.82Å; L53-I61 HydrophobicContact CB-CG1 4.38Å; L53-I61 HydrophobicContact CB-CG2 4.45Å; L53-I61 HydrophobicContact CD1-CD1 4.25Å; L53-E65 WeakPolarHBondContact O-CB 3.22Å; L53-L66 HydrophobicContact CD2-CD1 4.2Å; L53-L70 HydrophobicContact CD2-CG 4.41Å; L53-M73 HydrophobicContact CD1-CE 3.93Å; L53-M73 HydrophobicContact CD2-CE 3.59Å; L53-M73 HydrophobicContact CG-CE 3.67Å
54	D	70.8	Confident	64.8	Low	14 Å²	14	65.7 Å²	65.7	8%	0.075	37%	0.365	C	S	.	.			trans	-77	85.6	174.6	179.3	11	0	0	110	F50 N56 G57 D58 G59 I61	F50-D54 HydrophobicContact CD1-CB 3.94Å; F50-D54 HydrophobicContact CE1-CB 3.85Å; F50-D54 WeakPolarHBondContact CE1-OD2 3.15Å; F50-D54 WeakPolarHBondContact O-CB 3.44Å; F50-D54 PolarHBondContact O-N 2.94Å; D54-N56 PolarHBondContact OD1-OD1 3.37Å; D54-G57 VanDerWaalsContact OD1-CA 3.23Å; D54-G57 WeakPolarHBondContact OD1-CA 3.5Å; D54-G57 PolarHBondContact OD1-N 3.17Å; D54-G57 WeakPolarHBondContact OD2-CA 3.38Å; D54-D58 PolarHBondContact OD1-N 3.45Å; D54-G59 WeakPolarHBondContact OD2-CA 3.23Å; D54-G59 PolarHBondContact OD2-N 2.88Å; D54-I61 HydrophobicContact CB-CG1 4.38Å
55	Q	70.4	Confident	65.7	Low	87 Å²	87	59.6 Å²	59.6	41%	0.407	34%	0.336	S	S	.	.	S	Bend	trans	-78.3	-28	-177.5	-69.2	-156.3	49.1	0	113.3	L53 E65 E68 K72	L53-Q55 PolarHBondContact O-N 3.1Å; L53-Q55 VanDerWaalsContact O-N 3.09Å; Q55-E65 HydrophobicContact CB-CG 4.33Å; Q55-E68 PolarHBondContact NE2-OE2 3.28Å; Q55-K72 VanDerWaalsContact CD-NZ 3.27Å; Q55-K72 VanDerWaalsContact OE1-NZ 3.13Å
56	N	73.1	Confident	66.1	Low	87 Å²	87	54.6 Å²	54.6	47%	0.465	31%	0.313	S	S	.	.	S	Bend	trans	-84.6	-16.1	177.6	72.7	26.6	0	0	112.6	D54 D58 E65	D54-N56 PolarHBondContact OD1-OD1 3.37Å; N56-D58 VanDerWaalsContact C-N 3.29Å; N56-D58 WeakPolarHBondContact OD1-CA 3.43Å; N56-D58 WeakPolarHBondContact OD1-CB 3.39Å; N56-D58 PolarHBondContact OD1-N 2.77Å; N56-D58 PolarHBondContact OD1-OD1 2.9Å; N56-E65 WeakPolarHBondContact CB-OE1 2.71Å; N56-E65 PolarHBondContact N-OE1 3.33Å; N56-E65 PolarHBondContact ND2-OE1 2.93Å; N56-E65 PolarHBondContact ND2-OE2 2.89Å; N56-E65 PolarHBondContact OD1-OE1 3.47Å
57	G	68.9	Low	66.5	Low	59 Å²	59	57.9 Å²	57.9	61%	0.608	33%	0.327	S	S	*	.			trans	71.3	21	178.9	0	0	0	0	113.7	D54 G59	D54-G57 VanDerWaalsContact OD1-CA 3.23Å; D54-G57 WeakPolarHBondContact OD1-CA 3.5Å; D54-G57 PolarHBondContact OD1-N 3.17Å; D54-G57 WeakPolarHBondContact OD2-CA 3.38Å; G57-G59 PolarHBondContact O-N 2.7Å
58	D	70.8	Confident	67	Low	60 Å²	60	57.1 Å²	57.1	32%	0.321	32%	0.323	S	S	.	.	S	Bend	trans	-81.9	-4.5	-177.8	83.2	-8.4	0	0	112.5	D54 N56 Y60 K96	D54-D58 PolarHBondContact OD1-N 3.45Å; N56-D58 VanDerWaalsContact C-N 3.29Å; N56-D58 WeakPolarHBondContact OD1-CA 3.43Å; N56-D58 WeakPolarHBondContact OD1-CB 3.39Å; N56-D58 PolarHBondContact OD1-N 2.77Å; N56-D58 PolarHBondContact OD1-OD1 2.9Å; D58-Y60 VanDerWaalsContact C-N 3.26Å; D58-Y60 VanDerWaalsContact O-CD2 3.3Å; D58-Y60 WeakPolarHBondContact O-CD2 3.44Å; D58-Y60 VanDerWaalsContact OD1-CA 3.31Å; D58-Y60 WeakPolarHBondContact OD1-CA 3.14Å; D58-Y60 VanDerWaalsContact OD1-CB 3.26Å; D58-Y60 WeakPolarHBondContact OD1-CB 2.99Å; D58-Y60 PolarHBondContact OD1-N 3.32Å; D58-Y60 VanDerWaalsContact OD1-O 3.07Å; D58-K96 IonicContact OD2-NZ 3.17Å; D58-K96 PolarHBondContact OD2-NZ 3.46Å; D58-K96 VanDerWaalsContact OD2-NZ 3.17Å
59	G	64.6	Low	67.2	Low	41 Å²	41	54.6 Å²	54.6	42%	0.423	30%	0.302	S	S	.	.	S	Bend	trans	82.6	2.1	-178.8	0	0	0	0	113.6	D54 G57	D54-G59 WeakPolarHBondContact OD2-CA 3.23Å; D54-G59 PolarHBondContact OD2-N 2.88Å; G57-G59 PolarHBondContact O-N 2.7Å
60	Y	63.6	Low	67.1	Low	136 Å²	136	50.9 Å²	50.9	53%	0.533	28%	0.284	S	S	.	.	S	Bend	trans	-116.9	156.5	173.6	-56.9	-90.3	0	0	109.3	D58	D58-Y60 VanDerWaalsContact C-N 3.26Å; D58-Y60 VanDerWaalsContact O-CD2 3.3Å; D58-Y60 WeakPolarHBondContact O-CD2 3.44Å; D58-Y60 VanDerWaalsContact OD1-CA 3.31Å; D58-Y60 WeakPolarHBondContact OD1-CA 3.14Å; D58-Y60 VanDerWaalsContact OD1-CB 3.26Å; D58-Y60 WeakPolarHBondContact OD1-CB 2.99Å; D58-Y60 PolarHBondContact OD1-N 3.32Å; D58-Y60 VanDerWaalsContact OD1-O 3.07Å
61	I	66.6	Low	67.1	Low	7 Å²	7	51.7 Å²	51.7	4%	0.036	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.8	175.3	-56.3	173.5	0	0	106.7	L53 D54 E65 L66 Y99	L53-I61 HydrophobicContact CB-CD1 3.82Å; L53-I61 HydrophobicContact CB-CG1 4.38Å; L53-I61 HydrophobicContact CB-CG2 4.45Å; L53-I61 HydrophobicContact CD1-CD1 4.25Å; D54-I61 HydrophobicContact CB-CG1 4.38Å; I61-E65 HydrophobicContact CG2-CB 4.15Å; I61-L66 HydrophobicContact CG2-CB 3.75Å; I61-L66 HydrophobicContact CG2-CD1 4.21Å; I61-Y99 HydrophobicContact CD1-CD2 3.88Å; I61-Y99 HydrophobicContact CD1-CE2 4.38Å
62	T	64.8	Low	67	Low	29 Å²	29	53.8 Å²	53.8	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	161	172.2	60.9	0	0	0	111.1	D64 E65 L66 K96	T62-D64 PolarHBondContact O-N 2.85Å; T62-E65 WeakPolarHBondContact CB-OE2 3.42Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.43Å; T62-E65 PolarHBondContact N-OE2 3.01Å; T62-E65 WeakPolarHBondContact O-CB 3.11Å; T62-E65 PolarHBondContact O-N 3.48Å; T62-E65 VanDerWaalsContact OG1-CB 3.3Å; T62-E65 WeakPolarHBondContact OG1-CB 3.26Å; T62-E65 WeakPolarHBondContact OG1-CG 3.16Å; T62-E65 PolarHBondContact OG1-N 2.86Å; T62-E65 PolarHBondContact OG1-OE2 3.14Å; T62-L66 VanDerWaalsContact O-CB 3.25Å; T62-L66 WeakPolarHBondContact O-CB 3.49Å; T62-L66 PolarHBondContact O-N 2.93Å; T62-K96 HydrophobicContact CG2-CG 4.39Å
63	V	63.2	Low	66.3	Low	20 Å²	20	55 Å²	55	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-53.1	-41.6	174.8	170.1	0	0	0	111.6	K67 L82 I86 G95 V97	V63-K67 WeakPolarHBondContact O-CB 3.49Å; V63-K67 PolarHBondContact O-N 3.25Å; V63-L82 HydrophobicContact CB-CD2 4.42Å; V63-L82 HydrophobicContact CG1-CD2 3.43Å; V63-L82 VanDerWaalsContact CG1-CD2 3.43Å; V63-L82 WeakPolarHBondContact O-CD2 3.3Å; V63-I86 HydrophobicContact CB-CD1 4.26Å; V63-I86 HydrophobicContact CB-CG1 4.46Å; V63-I86 HydrophobicContact CG1-CD1 3.56Å; V63-I86 HydrophobicContact CG1-CG1 4.11Å; V63-I86 HydrophobicContact CG2-CD1 3.73Å; V63-I86 HydrophobicContact CG2-CG1 3.48Å; V63-I86 VanDerWaalsContact CG2-CG1 3.48Å; V63-G95 WeakPolarHBondContact CG2-O 3.41Å; V63-V97 HydrophobicContact CG2-CG2 4.04Å
64	D	65.1	Low	65.8	Low	118 Å²	118	56.9 Å²	56.9	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-69.1	-43.1	179	-69.3	-57	0	0	112	T62 L66 K67 E68	T62-D64 PolarHBondContact O-N 2.85Å; D64-L66 VanDerWaalsContact C-N 3.34Å; D64-K67 PolarHBondContact O-N 3.34Å; D64-E68 PolarHBondContact O-N 2.75Å
65	E	72.1	Confident	65.2	Low	17 Å²	17	62.1 Å²	62.1	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-40.5	176.1	-82.3	169.2	151.3	0	112.7	L53 Q55 N56 I61 T62 E68 G69	L53-E65 WeakPolarHBondContact O-CB 3.22Å; Q55-E65 HydrophobicContact CB-CG 4.33Å; N56-E65 WeakPolarHBondContact CB-OE1 2.71Å; N56-E65 PolarHBondContact N-OE1 3.33Å; N56-E65 PolarHBondContact ND2-OE1 2.93Å; N56-E65 PolarHBondContact ND2-OE2 2.89Å; N56-E65 PolarHBondContact OD1-OE1 3.47Å; I61-E65 HydrophobicContact CG2-CB 4.15Å; T62-E65 WeakPolarHBondContact CB-OE2 3.42Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.43Å; T62-E65 PolarHBondContact N-OE2 3.01Å; T62-E65 WeakPolarHBondContact O-CB 3.11Å; T62-E65 PolarHBondContact O-N 3.48Å; T62-E65 VanDerWaalsContact OG1-CB 3.3Å; T62-E65 WeakPolarHBondContact OG1-CB 3.26Å; T62-E65 WeakPolarHBondContact OG1-CG 3.16Å; T62-E65 PolarHBondContact OG1-N 2.86Å; T62-E65 PolarHBondContact OG1-OE2 3.14Å; E65-E68 PolarHBondContact O-N 3.49Å; E65-G69 PolarHBondContact O-N 2.88Å
66	L	64.6	Low	64.4	Low	8 Å²	8	62.2 Å²	62.2	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-48.7	175.1	-179.4	67.3	0	0	111.3	L53 I61 T62 D64 E68 G69 L70 L77 F102	L53-L66 HydrophobicContact CD2-CD1 4.2Å; I61-L66 HydrophobicContact CG2-CB 3.75Å; I61-L66 HydrophobicContact CG2-CD1 4.21Å; T62-L66 VanDerWaalsContact O-CB 3.25Å; T62-L66 WeakPolarHBondContact O-CB 3.49Å; T62-L66 PolarHBondContact O-N 2.93Å; D64-L66 VanDerWaalsContact C-N 3.34Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 3.25Å; L66-G69 PolarHBondContact O-N 2.87Å; L66-L70 HydrophobicContact CD1-CD1 3.75Å; L66-L70 HydrophobicContact CD1-CG 4.17Å; L66-L70 HydrophobicContact CG-CD1 3.89Å; L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.34Å; L66-L70 PolarHBondContact O-N 3.2Å; L66-L77 HydrophobicContact CD2-CD1 4.47Å; L66-F102 HydrophobicContact CD1-CD1 4.11Å; L66-F102 HydrophobicContact CD1-CD2 4Å; L66-F102 HydrophobicContact CD1-CE1 3.68Å; L66-F102 HydrophobicContact CD1-CE2 3.53Å; L66-F102 HydrophobicContact CD1-CG 4.28Å; L66-F102 HydrophobicContact CD1-CZ 3.39Å; L66-F102 HydrophobicContact CD2-CD2 3.39Å; L66-F102 HydrophobicContact CD2-CE2 3.22Å; L66-F102 HydrophobicContact CD2-CG 4.29Å; L66-F102 HydrophobicContact CD2-CZ 4.03Å; L66-F102 HydrophobicContact CG-CD2 4.3Å; L66-F102 HydrophobicContact CG-CE2 3.88Å; L66-F102 HydrophobicContact CG-CZ 4.2Å
67	K	63.3	Low	63.8	Low	75 Å²	75	59.3 Å²	59.3	33%	0.326	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-46.3	177.7	-179.3	-177.4	-173.6	177.7	111.4	V63 D64 S71 L82	V63-K67 WeakPolarHBondContact O-CB 3.49Å; V63-K67 PolarHBondContact O-N 3.25Å; D64-K67 PolarHBondContact O-N 3.34Å; K67-S71 VanDerWaalsContact O-CB 3.27Å; K67-S71 WeakPolarHBondContact O-CB 3.39Å; K67-S71 PolarHBondContact O-N 3.45Å; K67-S71 PolarHBondContact O-OG 2.83Å; K67-L82 HydrophobicContact CB-CD1 3.76Å; K67-L82 HydrophobicContact CB-CD2 4.14Å; K67-L82 HydrophobicContact CD-CD1 3.76Å; K67-L82 HydrophobicContact CG-CD1 3.62Å
68	E	69.4	Low	63.3	Low	104 Å²	104	59 Å²	59	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-66.4	-45	177.4	-81.3	-137.6	139.3	0	112.1	Q55 D64 E65 L66 S71 K72	Q55-E68 PolarHBondContact NE2-OE2 3.28Å; D64-E68 PolarHBondContact O-N 2.75Å; E65-E68 PolarHBondContact O-N 3.49Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 3.25Å; E68-S71 PolarHBondContact O-N 3.27Å; E68-K72 WeakPolarHBondContact O-CB 3.44Å; E68-K72 VanDerWaalsContact O-CG 3.32Å; E68-K72 WeakPolarHBondContact O-CG 3.18Å; E68-K72 PolarHBondContact O-N 3.21Å; E68-K72 IonicContact OE2-NZ 4Å
69	G	68.6	Low	62.8	Low	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-68.6	-37.7	-177.1	0	0	0	0	112.9	E65 L66 K72 M73	E65-G69 PolarHBondContact O-N 2.88Å; L66-G69 PolarHBondContact O-N 2.87Å; G69-K72 WeakPolarHBondContact O-CB 3.43Å; G69-K72 PolarHBondContact O-N 3.3Å; G69-M73 PolarHBondContact O-N 2.94Å
70	L	63.8	Low	62.7	Low	10 Å²	10	67.9 Å²	67.9	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-69.9	-38.1	173	-73.7	174.7	0	0	112.1	L53 L66 K72 M73 G74 E75 L77 F102	L53-L70 HydrophobicContact CD2-CG 4.41Å; L66-L70 HydrophobicContact CD1-CD1 3.75Å; L66-L70 HydrophobicContact CD1-CG 4.17Å; L66-L70 HydrophobicContact CG-CD1 3.89Å; L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.34Å; L66-L70 PolarHBondContact O-N 3.2Å; L70-K72 VanDerWaalsContact C-N 3.29Å; L70-K72 PolarHBondContact O-N 3.25Å; L70-M73 HydrophobicContact CD2-CE 4.44Å; L70-M73 CarbonylContact O-C 3.37Å; L70-M73 PolarHBondContact O-N 3.46Å; L70-M73 VanDerWaalsContact O-N 3.15Å; L70-G74 PolarHBondContact O-N 3.14Å; L70-G74 VanDerWaalsContact O-N 3.1Å; L70-E75 CarbonylContact C-O 3.57Å; L70-E75 WeakPolarHBondContact CB-O 3.31Å; L70-E75 CarbonylContact O-C 3.48Å; L70-E75 PolarHBondContact O-N 3.44Å; L70-L77 HydrophobicContact CD1-CD1 3.26Å; L70-L77 HydrophobicContact CD1-CD2 4.44Å; L70-L77 HydrophobicContact CD1-CG 3.59Å; L70-F102 HydrophobicContact CD1-CZ 4.21Å
71	S	63.8	Low	62.6	Low	57 Å²	57	65.5 Å²	65.5	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-38.5	169.6	-65.5	0	0	0	112.1	K67 E68 G74	K67-S71 VanDerWaalsContact O-CB 3.27Å; K67-S71 WeakPolarHBondContact O-CB 3.39Å; K67-S71 PolarHBondContact O-N 3.45Å; K67-S71 PolarHBondContact O-OG 2.83Å; E68-S71 PolarHBondContact O-N 3.27Å; S71-G74 PolarHBondContact O-N 3.46Å
72	K	63.3	Low	62.3	Low	126 Å²	126	65.5 Å²	65.5	55%	0.548	35%	0.347	S	S	.	.	H	α-helix	trans	-69.7	-29.7	175.2	-76.2	173.7	-179.2	174.3	113	Q55 E68 G69 L70 G74	Q55-K72 VanDerWaalsContact CD-NZ 3.27Å; Q55-K72 VanDerWaalsContact OE1-NZ 3.13Å; E68-K72 WeakPolarHBondContact O-CB 3.44Å; E68-K72 VanDerWaalsContact O-CG 3.32Å; E68-K72 WeakPolarHBondContact O-CG 3.18Å; E68-K72 PolarHBondContact O-N 3.21Å; E68-K72 IonicContact OE2-NZ 4Å; G69-K72 WeakPolarHBondContact O-CB 3.43Å; G69-K72 PolarHBondContact O-N 3.3Å; L70-K72 VanDerWaalsContact C-N 3.29Å; L70-K72 PolarHBondContact O-N 3.25Å; K72-G74 VanDerWaalsContact C-N 3.28Å
73	M	55.6	Low	62.1	Low	83 Å²	83	69.4 Å²	69.4	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-79.7	-7.3	173	-86	-176.5	-88.5	0	113.8	M49 V52 L53 G69 L70	M49-M73 HydrophobicContact CE-CE 4.39Å; M49-M73 HydrophobicContact CE-SD 3.93Å; V52-M73 HydrophobicContact CG1-CE 4.42Å; L53-M73 HydrophobicContact CD1-CE 3.93Å; L53-M73 HydrophobicContact CD2-CE 3.59Å; L53-M73 HydrophobicContact CG-CE 3.67Å; G69-M73 PolarHBondContact O-N 2.94Å; L70-M73 HydrophobicContact CD2-CE 4.44Å; L70-M73 CarbonylContact O-C 3.37Å; L70-M73 PolarHBondContact O-N 3.46Å; L70-M73 VanDerWaalsContact O-N 3.15Å
74	G	56.2	Low	61.9	Low	57 Å²	57	70.1 Å²	70.1	59%	0.588	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	5.2	176.1	0	0	0	0	114.8	L70 S71 K72 P76	L70-G74 PolarHBondContact O-N 3.14Å; L70-G74 VanDerWaalsContact O-N 3.1Å; S71-G74 PolarHBondContact O-N 3.46Å; K72-G74 VanDerWaalsContact C-N 3.28Å; G74-P76 WeakPolarHBondContact O-CD 3.27Å
75	E	57.3	Low	61.5	Low	124 Å²	124	65.1 Å²	65.1	58%	0.579	35%	0.348	S	S	*	.			trans	-118.2	79.6	172.9	-77.8	-166.1	127	0	109.7	L70 L77 Y106	L70-E75 CarbonylContact C-O 3.57Å; L70-E75 WeakPolarHBondContact CB-O 3.31Å; L70-E75 CarbonylContact O-C 3.48Å; L70-E75 PolarHBondContact O-N 3.44Å; E75-L77 PolarHBondContact O-N 2.97Å; E75-Y106 PolarHBondContact OE2-OH 3.26Å
76	P	54.9	Low	60.8	Low	89 Å²	89	67.1 Å²	67.1	58%	0.578	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-67.8	121.7	177.9	28.2	-33.2	0	0	110.2	G74	G74-P76 WeakPolarHBondContact O-CD 3.27Å
77	L	58.8	Low	60.5	Low	26 Å²	26	74.9 Å²	74.9	14%	0.136	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-70	136.5	167.6	-67.8	176.8	0	0	109.9	L66 L70 E75 E81 L82 M85	L66-L77 HydrophobicContact CD2-CD1 4.47Å; L70-L77 HydrophobicContact CD1-CD1 3.26Å; L70-L77 HydrophobicContact CD1-CD2 4.44Å; L70-L77 HydrophobicContact CD1-CG 3.59Å; E75-L77 PolarHBondContact O-N 2.97Å; L77-E81 HydrophobicContact CB-CB 4.5Å; L77-E81 HydrophobicContact CD2-CB 4.39Å; L77-L82 HydrophobicContact CB-CD1 3.88Å; L77-L82 HydrophobicContact CB-CG 4.11Å; L77-L82 HydrophobicContact CD1-CG 4.35Å; L77-M85 HydrophobicContact CD1-SD 3.68Å
78	S	59.3	Low	60	Low	51 Å²	51	75.6 Å²	75.6	36%	0.357	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-71.4	156.2	171.8	61	0	0	0	111	E80 E81 L82	S78-E80 PolarHBondContact O-N 2.87Å; S78-E81 WeakPolarHBondContact CB-OE2 3.4Å; S78-E81 PolarHBondContact N-OE2 3.09Å; S78-E81 WeakPolarHBondContact O-CB 3.12Å; S78-E81 PolarHBondContact O-N 2.94Å; S78-E81 VanDerWaalsContact O-N 3.09Å; S78-E81 VanDerWaalsContact OG-CD 3.25Å; S78-E81 VanDerWaalsContact OG-CG 3.23Å; S78-E81 WeakPolarHBondContact OG-CG 3.42Å; S78-E81 PolarHBondContact OG-OE2 2.98Å; S78-L82 PolarHBondContact O-N 2.9Å
79	Q	59.2	Low	59.2	Low	126 Å²	126	71.2 Å²	71.2	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-62.4	-30.9	-177.5	-170.2	151.4	-1.3	0	112.3	L82 E83	Q79-L82 PolarHBondContact O-N 2.74Å; Q79-E83 WeakPolarHBondContact O-CB 3.31Å; Q79-E83 WeakPolarHBondContact O-CG 3.46Å; Q79-E83 PolarHBondContact O-N 2.84Å
80	E	62.5	Low	58.6	Low	162 Å²	162	73.5 Å²	73.5	76%	0.757	41%	0.408	S	S	*	.	H	α-helix	trans	-69	-38.4	173.8	-66.9	173.5	162.3	0	112.2	S78 G84	S78-E80 PolarHBondContact O-N 2.87Å; E80-G84 PolarHBondContact O-N 2.73Å
81	E	62.5	Low	58.1	Low	86 Å²	86	74.1 Å²	74.1	40%	0.402	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-41.7	173.6	-72.6	169.1	126.7	0	111	L77 S78 G84 M85	L77-E81 HydrophobicContact CB-CB 4.5Å; L77-E81 HydrophobicContact CD2-CB 4.39Å; S78-E81 WeakPolarHBondContact CB-OE2 3.4Å; S78-E81 PolarHBondContact N-OE2 3.09Å; S78-E81 WeakPolarHBondContact O-CB 3.12Å; S78-E81 PolarHBondContact O-N 2.94Å; S78-E81 VanDerWaalsContact O-N 3.09Å; S78-E81 VanDerWaalsContact OG-CD 3.25Å; S78-E81 VanDerWaalsContact OG-CG 3.23Å; S78-E81 WeakPolarHBondContact OG-CG 3.42Å; S78-E81 PolarHBondContact OG-OE2 2.98Å; E81-G84 PolarHBondContact O-N 2.86Å; E81-M85 WeakPolarHBondContact O-CB 3.23Å; E81-M85 WeakPolarHBondContact O-CG 3.2Å; E81-M85 PolarHBondContact O-N 2.88Å
82	L	60.3	Low	57.8	Low	7 Å²	7	77.1 Å²	77.1	4%	0.037	43%	0.426	C	S	.	.	H	α-helix	trans	-63.7	-45.6	174.6	-89.2	142.9	0	0	112.6	V63 K67 L77 S78 Q79 M85 I86	V63-L82 HydrophobicContact CB-CD2 4.42Å; V63-L82 HydrophobicContact CG1-CD2 3.43Å; V63-L82 VanDerWaalsContact CG1-CD2 3.43Å; V63-L82 WeakPolarHBondContact O-CD2 3.3Å; K67-L82 HydrophobicContact CB-CD1 3.76Å; K67-L82 HydrophobicContact CB-CD2 4.14Å; K67-L82 HydrophobicContact CD-CD1 3.76Å; K67-L82 HydrophobicContact CG-CD1 3.62Å; L77-L82 HydrophobicContact CB-CD1 3.88Å; L77-L82 HydrophobicContact CB-CG 4.11Å; L77-L82 HydrophobicContact CD1-CG 4.35Å; S78-L82 PolarHBondContact O-N 2.9Å; Q79-L82 PolarHBondContact O-N 2.74Å; L82-M85 CarbonylContact O-C 3.53Å; L82-M85 WeakPolarHBondContact O-CA 3.26Å; L82-M85 WeakPolarHBondContact O-CB 3.29Å; L82-M85 PolarHBondContact O-N 2.87Å; L82-M85 VanDerWaalsContact O-N 3.14Å; L82-I86 VanDerWaalsContact O-CG1 3.26Å; L82-I86 WeakPolarHBondContact O-CG1 3.3Å; L82-I86 PolarHBondContact O-N 2.94Å
83	E	59.7	Low	57.4	Low	112 Å²	112	80.5 Å²	80.5	52%	0.523	44%	0.444	S	S	.	.	H	α-helix	trans	-65.5	-40	176.7	-77.4	176	-173.1	0	111.5	Q79 M85 I86 H87	Q79-E83 WeakPolarHBondContact O-CB 3.31Å; Q79-E83 WeakPolarHBondContact O-CG 3.46Å; Q79-E83 PolarHBondContact O-N 2.84Å; E83-M85 VanDerWaalsContact C-N 3.27Å; E83-M85 PolarHBondContact O-N 3.13Å; E83-I86 PolarHBondContact O-N 3.36Å; E83-H87 VanDerWaalsContact O-CB 3.31Å; E83-H87 WeakPolarHBondContact O-CB 3.3Å; E83-H87 PolarHBondContact O-N 3.47Å
84	G	59.8	Low	57.6	Low	35 Å²	35	83.2 Å²	83.2	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-58.7	-40.5	170	0	0	0	0	111.7	E80 E81 H87 V88	E80-G84 PolarHBondContact O-N 2.73Å; E81-G84 PolarHBondContact O-N 2.86Å; G84-H87 PolarHBondContact O-N 2.99Å; G84-V88 VanDerWaalsContact O-CB 3.27Å; G84-V88 WeakPolarHBondContact O-CB 3.24Å; G84-V88 WeakPolarHBondContact O-CG2 3.22Å; G84-V88 PolarHBondContact O-N 3.35Å
85	M	55.6	Low	57.6	Low	12 Å²	12	82 Å²	82	6%	0.059	45%	0.448	C	S	.	.	H	α-helix	trans	-66.8	-45.7	174.9	-71.2	178.6	125.2	0	112.2	L77 E81 L82 E83 H87 V88 F89 F102 Y106	L77-M85 HydrophobicContact CD1-SD 3.68Å; E81-M85 WeakPolarHBondContact O-CB 3.23Å; E81-M85 WeakPolarHBondContact O-CG 3.2Å; E81-M85 PolarHBondContact O-N 2.88Å; L82-M85 CarbonylContact O-C 3.53Å; L82-M85 WeakPolarHBondContact O-CA 3.26Å; L82-M85 WeakPolarHBondContact O-CB 3.29Å; L82-M85 PolarHBondContact O-N 2.87Å; L82-M85 VanDerWaalsContact O-N 3.14Å; E83-M85 VanDerWaalsContact C-N 3.27Å; E83-M85 PolarHBondContact O-N 3.13Å; M85-H87 PolarHBondContact O-N 3.11Å; M85-V88 PolarHBondContact O-N 3.35Å; M85-F89 VanDerWaalsContact C-CD2 3.41Å; M85-F89 HydrophobicContact CB-CD2 3.88Å; M85-F89 HydrophobicContact CB-CE2 3.45Å; M85-F89 VanDerWaalsContact CB-CE2 3.45Å; M85-F89 HydrophobicContact CB-CZ 3.94Å; M85-F89 HydrophobicContact CE-CE1 4.41Å; M85-F89 HydrophobicContact CE-CE2 4.2Å; M85-F89 HydrophobicContact CE-CZ 3.49Å; M85-F89 VanDerWaalsContact CE-CZ 3.49Å; M85-F89 HydrophobicContact CG-CD2 4.32Å; M85-F89 HydrophobicContact CG-CE2 3.4Å; M85-F89 VanDerWaalsContact CG-CE2 3.4Å; M85-F89 HydrophobicContact CG-CZ 3.65Å; M85-F89 WeakPolarHBondContact O-CB 3.32Å; M85-F89 WeakPolarHBondContact O-CD2 3.5Å; M85-F89 WeakPolarHBondContact O-CG 3.37Å; M85-F89 PolarHBondContact O-N 3.3Å; M85-F89 HydrophobicContact SD-CZ 4.31Å; M85-F102 HydrophobicContact CE-CD2 3.69Å; M85-F102 HydrophobicContact CE-CE2 3.19Å; M85-F102 HydrophobicContact CE-CZ 4.12Å; M85-F102 HydrophobicContact SD-CD2 4.36Å; M85-F102 HydrophobicContact SD-CE2 3.88Å; M85-Y106 HydrophobicContact CE-CD2 4.38Å
86	I	57.8	Low	57.6	Low	59 Å²	59	79.8 Å²	79.8	30%	0.303	44%	0.436	S	S	.	.	H	α-helix	trans	-59.3	-41.2	177.4	-66.5	165	0	0	111.1	V63 L82 E83 G90 A91	V63-I86 HydrophobicContact CB-CD1 4.26Å; V63-I86 HydrophobicContact CB-CG1 4.46Å; V63-I86 HydrophobicContact CG1-CD1 3.56Å; V63-I86 HydrophobicContact CG1-CG1 4.11Å; V63-I86 HydrophobicContact CG2-CD1 3.73Å; V63-I86 HydrophobicContact CG2-CG1 3.48Å; V63-I86 VanDerWaalsContact CG2-CG1 3.48Å; L82-I86 VanDerWaalsContact O-CG1 3.26Å; L82-I86 WeakPolarHBondContact O-CG1 3.3Å; L82-I86 PolarHBondContact O-N 2.94Å; E83-I86 PolarHBondContact O-N 3.36Å; I86-G90 PolarHBondContact O-N 3.48Å; I86-A91 HydrophobicContact CB-CB 4.47Å; I86-A91 HydrophobicContact CG2-CB 3.73Å; I86-A91 PolarHBondContact O-N 3.2Å
87	H	58.4	Low	57.9	Low	171 Å²	171	76 Å²	76	79%	0.792	41%	0.411	S	S	*	.	H	α-helix	trans	-76.5	-37.1	-174.8	-152.2	42.5	0	0	113.2	E83 G84 M85	E83-H87 VanDerWaalsContact O-CB 3.31Å; E83-H87 WeakPolarHBondContact O-CB 3.3Å; E83-H87 PolarHBondContact O-N 3.47Å; G84-H87 PolarHBondContact O-N 2.99Å; M85-H87 PolarHBondContact O-N 3.11Å
88	V	53.9	Low	57.9	Low	90 Å²	90	77.7 Å²	77.7	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-81.1	-33.1	179.9	176	0	0	0	112	G84 M85 G90 H105	G84-V88 VanDerWaalsContact O-CB 3.27Å; G84-V88 WeakPolarHBondContact O-CB 3.24Å; G84-V88 WeakPolarHBondContact O-CG2 3.22Å; G84-V88 PolarHBondContact O-N 3.35Å; M85-V88 PolarHBondContact O-N 3.35Å; V88-G90 VanDerWaalsContact C-N 3.25Å; V88-G90 PolarHBondContact O-N 2.97Å; V88-H105 WeakPolarHBondContact CG1-CE1 3.49Å; V88-H105 WeakPolarHBondContact CG1-NE2 3.36Å
89	F	52.9	Low	57.9	Low	12 Å²	12	76.2 Å²	76.2	5%	0.053	41%	0.407	C	S	.	.	H	α-helix	trans	-83.4	-12.6	-173.3	-66.1	-123.2	0	0	111	M85 V97 Q101 F102 H105	M85-F89 VanDerWaalsContact C-CD2 3.41Å; M85-F89 HydrophobicContact CB-CD2 3.88Å; M85-F89 HydrophobicContact CB-CE2 3.45Å; M85-F89 VanDerWaalsContact CB-CE2 3.45Å; M85-F89 HydrophobicContact CB-CZ 3.94Å; M85-F89 HydrophobicContact CE-CE1 4.41Å; M85-F89 HydrophobicContact CE-CE2 4.2Å; M85-F89 HydrophobicContact CE-CZ 3.49Å; M85-F89 VanDerWaalsContact CE-CZ 3.49Å; M85-F89 HydrophobicContact CG-CD2 4.32Å; M85-F89 HydrophobicContact CG-CE2 3.4Å; M85-F89 VanDerWaalsContact CG-CE2 3.4Å; M85-F89 HydrophobicContact CG-CZ 3.65Å; M85-F89 WeakPolarHBondContact O-CB 3.32Å; M85-F89 WeakPolarHBondContact O-CD2 3.5Å; M85-F89 WeakPolarHBondContact O-CG 3.37Å; M85-F89 PolarHBondContact O-N 3.3Å; M85-F89 HydrophobicContact SD-CZ 4.31Å; F89-V97 HydrophobicContact CB-CG1 3.89Å; F89-V97 HydrophobicContact CD1-CG1 3.7Å; F89-V97 HydrophobicContact CG-CG1 4.1Å; F89-Q101 HydrophobicContact CB-CB 4.34Å; F89-Q101 HydrophobicContact CD1-CB 3.76Å; F89-Q101 VanDerWaalsContact CD1-O 3.23Å; F89-Q101 WeakPolarHBondContact CD1-O 3.47Å; F89-Q101 WeakPolarHBondContact CE1-O 3.15Å; F89-Q101 PolarHBondContact O-NE2 3.18Å; F89-Q101 PolarHBondContact O-OE1 2.91Å; F89-F102 HydrophobicContact CE1-CB 4.4Å; F89-F102 HydrophobicContact CE1-CD2 4.39Å; F89-F102 WeakPolarHBondContact CE1-O 3.42Å; F89-H105 HydrophobicContact CD1-CB 4.08Å; F89-H105 HydrophobicContact CD2-CB 4.36Å; F89-H105 AromaticContact CD2-CD2 4Å; F89-H105 HydrophobicContact CE1-CB 3.21Å; F89-H105 HydrophobicContact CE2-CB 3.7Å; F89-H105 AromaticContact CE2-CD2 3.15Å; F89-H105 WeakPolarHBondContact CE2-CD2 2.86Å; F89-H105 AromaticContact CE2-CG 3.57Å; F89-H105 HydrophobicContact CZ-CB 3.17Å; F89-H105 AromaticContact CZ-CD2 3.47Å; F89-H105 VanDerWaalsContact CZ-CD2 3.47Å; F89-H105 WeakPolarHBondContact CZ-CD2 3.36Å; F89-H105 AromaticContact CZ-CG 3.58Å
90	G	54.7	Low	57.7	Low	48 Å²	48	73.5 Å²	73.5	50%	0.495	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	63.3	-171.2	0	0	0	0	108	I86 V88 D92	I86-G90 PolarHBondContact O-N 3.48Å; V88-G90 VanDerWaalsContact C-N 3.25Å; V88-G90 PolarHBondContact O-N 2.97Å; G90-D92 PolarHBondContact O-N 2.94Å
91	A	53	Low	57.4	Low	24 Å²	24	69.6 Å²	69.6	20%	0.198	38%	0.376	C	S	.	.			trans	-48.9	131.3	166.4	0	0	0	0	107.5	I86 K96 V97	I86-A91 HydrophobicContact CB-CB 4.47Å; I86-A91 HydrophobicContact CG2-CB 3.73Å; I86-A91 PolarHBondContact O-N 3.2Å; A91-K96 WeakPolarHBondContact CA-O 3.27Å; A91-V97 HydrophobicContact CB-CG2 4.02Å
92	D	57.6	Low	57.4	Low	120 Å²	120	66.1 Å²	66.1	64%	0.642	36%	0.36	S	S	*	.			trans	-60.7	172.5	-179.8	-132.6	-41.6	0	0	109.2	G90 D94 G95 K96	G90-D92 PolarHBondContact O-N 2.94Å; D92-D94 PolarHBondContact O-N 3.43Å; D92-G95 PolarHBondContact O-N 2.91Å; D92-K96 PolarHBondContact N-O 2.68Å
93	Q	54.8	Low	57.3	Low	197 Å²	197	66.5 Å²	66.5	92%	0.921	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-13.9	-173.6	-59.1	-177.4	3.9	0	114.6
94	D	60.1	Low	57.1	Low	140 Å²	140	63.1 Å²	63.1	75%	0.749	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	4.3	175.2	-93.8	-88.1	0	0	115.2	D92 K96	D92-D94 PolarHBondContact O-N 3.43Å; D94-K96 HydrophobicContact CB-CG 4.17Å; D94-K96 PolarHBondContact O-N 2.83Å
95	G	57	Low	57	Low	32 Å²	32	63.2 Å²	63.2	33%	0.33	34%	0.341	S	S	.	.	S	Bend	trans	71.4	15	-177	0	0	0	0	113.7	V63 D92	V63-G95 WeakPolarHBondContact CG2-O 3.41Å; D92-G95 PolarHBondContact O-N 2.91Å
96	K	56.6	Low	57.1	Low	77 Å²	77	65.3 Å²	65.3	34%	0.335	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.9	174.9	-62.3	-165.5	175.8	-157	109.6	D58 T62 A91 D92 D94	D58-K96 IonicContact OD2-NZ 3.17Å; D58-K96 PolarHBondContact OD2-NZ 3.46Å; D58-K96 VanDerWaalsContact OD2-NZ 3.17Å; T62-K96 HydrophobicContact CG2-CG 4.39Å; A91-K96 WeakPolarHBondContact CA-O 3.27Å; D92-K96 PolarHBondContact N-O 2.68Å; D94-K96 HydrophobicContact CB-CG 4.17Å; D94-K96 PolarHBondContact O-N 2.83Å
97	V	60.6	Low	56.9	Low	8 Å²	8	63.9 Å²	63.9	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127	172.9	-178.2	0	0	0	107.3	V63 F89 A91 Y99 Q101 F102	V63-V97 HydrophobicContact CG2-CG2 4.04Å; F89-V97 HydrophobicContact CB-CG1 3.89Å; F89-V97 HydrophobicContact CD1-CG1 3.7Å; F89-V97 HydrophobicContact CG-CG1 4.1Å; A91-V97 HydrophobicContact CB-CG2 4.02Å; V97-Y99 PolarHBondContact O-N 2.64Å; V97-Q101 HydrophobicContact CG1-CB 4.31Å; V97-F102 HydrophobicContact CG1-CB 4.14Å
98	N	59.5	Low	56.7	Low	63 Å²	63	59.4 Å²	59.4	34%	0.337	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-63.6	131.9	171.7	172	-9.2	0	0	108.2	E100 Q101 F102	N98-E100 PolarHBondContact ND2-OE2 2.82Å; N98-E100 PolarHBondContact O-N 2.81Å; N98-E100 VanDerWaalsContact O-N 3.14Å; N98-E100 WeakPolarHBondContact OD1-CB 3.16Å; N98-E100 WeakPolarHBondContact OD1-CG 3.23Å; N98-E100 PolarHBondContact OD1-N 3.44Å; N98-Q101 HydrophobicContact CB-CG 4.18Å; N98-Q101 WeakPolarHBondContact O-CA 3.43Å; N98-Q101 WeakPolarHBondContact O-CB 3.18Å; N98-Q101 PolarHBondContact O-N 3.12Å; N98-F102 PolarHBondContact O-N 2.81Å
99	Y	58.3	Low	56.5	Low	20 Å²	20	57.2 Å²	57.2	8%	0.078	31%	0.308	C	S	.	.	H	α-helix	trans	-42.8	-42.1	171.2	176.4	-95.4	0	0	114.6	F30 F33 F50 I61 V97 Q101 F102 L103	F30-Y99 HydrophobicContact CB-CD1 4.32Å; F30-Y99 HydrophobicContact CB-CE1 4.5Å; F30-Y99 AromaticContact CD2-CD1 3.24Å; F30-Y99 HydrophobicContact CD2-CD1 3.24Å; F30-Y99 AromaticContact CD2-CE1 3.29Å; F30-Y99 HydrophobicContact CD2-CE1 3.29Å; F30-Y99 HydrophobicContact CD2-CG 4.03Å; F30-Y99 AromaticContact CE2-CD1 3.91Å; F30-Y99 HydrophobicContact CE2-CD1 3.91Å; F30-Y99 AromaticContact CE2-CE1 3.72Å; F30-Y99 HydrophobicContact CE2-CE1 3.72Å; F30-Y99 HydrophobicContact CE2-CG 4.41Å; F30-Y99 HydrophobicContact CG-CD1 4.2Å; F30-Y99 HydrophobicContact CG-CE1 4.17Å; F33-Y99 HydrophobicContact CD1-CE1 4.09Å; F33-Y99 AromaticContact CD1-CZ 3.88Å; F33-Y99 WeakPolarHBondContact CD1-OH 3.45Å; F33-Y99 AromaticContact CE1-CZ 3.97Å; F33-Y99 WeakPolarHBondContact CE1-OH 3.31Å; F50-Y99 HydrophobicContact CD2-CE2 4.23Å; F50-Y99 HydrophobicContact CE2-CD2 4.05Å; F50-Y99 AromaticContact CE2-CE2 3.88Å; F50-Y99 HydrophobicContact CE2-CE2 3.88Å; I61-Y99 HydrophobicContact CD1-CD2 3.88Å; I61-Y99 HydrophobicContact CD1-CE2 4.38Å; V97-Y99 PolarHBondContact O-N 2.64Å; Y99-Q101 VanDerWaalsContact C-N 3.32Å; Y99-Q101 PolarHBondContact O-N 3.02Å; Y99-F102 PolarHBondContact O-N 2.86Å; Y99-L103 HydrophobicContact CD1-CD1 3.62Å; Y99-L103 HydrophobicContact CD1-CG 4.26Å; Y99-L103 HydrophobicContact CD2-CD1 4.28Å; Y99-L103 HydrophobicContact CD2-CG 4.35Å; Y99-L103 HydrophobicContact CE1-CD1 3.09Å; Y99-L103 HydrophobicContact CE1-CG 4.11Å; Y99-L103 HydrophobicContact CE2-CD1 3.78Å; Y99-L103 HydrophobicContact CE2-CD2 4.48Å; Y99-L103 HydrophobicContact CE2-CG 4.11Å; Y99-L103 HydrophobicContact CG-CD1 4.25Å; Y99-L103 HydrophobicContact CG-CG 4.47Å; Y99-L103 WeakPolarHBondContact O-CB 3.33Å; Y99-L103 WeakPolarHBondContact O-CG 3.3Å; Y99-L103 PolarHBondContact O-N 2.82Å
100	E	55.2	Low	56.4	Low	68 Å²	68	59.4 Å²	59.4	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-41.5	178.5	-61.3	-177.4	111.1	0	111.5	S29 F30 N98 S104	S29-E100 VanDerWaalsContact CA-OE1 3.31Å; S29-E100 WeakPolarHBondContact CA-OE1 3.49Å; S29-E100 WeakPolarHBondContact CB-OE1 3.41Å; F30-E100 HydrophobicContact CB-CG 3.75Å; F30-E100 PolarHBondContact N-OE1 3.07Å; N98-E100 PolarHBondContact ND2-OE2 2.82Å; N98-E100 PolarHBondContact O-N 2.81Å; N98-E100 VanDerWaalsContact O-N 3.14Å; N98-E100 WeakPolarHBondContact OD1-CB 3.16Å; N98-E100 WeakPolarHBondContact OD1-CG 3.23Å; N98-E100 PolarHBondContact OD1-N 3.44Å; E100-S104 WeakPolarHBondContact O-CB 3.16Å; E100-S104 PolarHBondContact O-N 3.01Å
101	Q	58.1	Low	56.1	Low	80 Å²	80	60.4 Å²	60.4	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-68	-48.9	174.4	-61.3	179.6	-51.1	0	109.2	F89 V97 N98 Y99 L103 S104 H105	F89-Q101 HydrophobicContact CB-CB 4.34Å; F89-Q101 HydrophobicContact CD1-CB 3.76Å; F89-Q101 VanDerWaalsContact CD1-O 3.23Å; F89-Q101 WeakPolarHBondContact CD1-O 3.47Å; F89-Q101 WeakPolarHBondContact CE1-O 3.15Å; F89-Q101 PolarHBondContact O-NE2 3.18Å; F89-Q101 PolarHBondContact O-OE1 2.91Å; V97-Q101 HydrophobicContact CG1-CB 4.31Å; N98-Q101 HydrophobicContact CB-CG 4.18Å; N98-Q101 WeakPolarHBondContact O-CA 3.43Å; N98-Q101 WeakPolarHBondContact O-CB 3.18Å; N98-Q101 PolarHBondContact O-N 3.12Å; Y99-Q101 VanDerWaalsContact C-N 3.32Å; Y99-Q101 PolarHBondContact O-N 3.02Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 3.4Å; Q101-S104 PolarHBondContact O-N 2.74Å; Q101-H105 PolarHBondContact O-N 3.45Å; Q101-H105 VanDerWaalsContact O-N 3.11Å
102	F	60.5	Low	55.8	Low	14 Å²	14	65.3 Å²	65.3	6%	0.061	33%	0.328	C	S	.	.	H	α-helix	trans	-48.9	-53.9	178.7	177.5	-103.6	0	0	111.3	L66 L70 M85 F89 V97 N98 Y99 H105 Y106	L66-F102 HydrophobicContact CD1-CD1 4.11Å; L66-F102 HydrophobicContact CD1-CD2 4Å; L66-F102 HydrophobicContact CD1-CE1 3.68Å; L66-F102 HydrophobicContact CD1-CE2 3.53Å; L66-F102 HydrophobicContact CD1-CG 4.28Å; L66-F102 HydrophobicContact CD1-CZ 3.39Å; L66-F102 HydrophobicContact CD2-CD2 3.39Å; L66-F102 HydrophobicContact CD2-CE2 3.22Å; L66-F102 HydrophobicContact CD2-CG 4.29Å; L66-F102 HydrophobicContact CD2-CZ 4.03Å; L66-F102 HydrophobicContact CG-CD2 4.3Å; L66-F102 HydrophobicContact CG-CE2 3.88Å; L66-F102 HydrophobicContact CG-CZ 4.2Å; L70-F102 HydrophobicContact CD1-CZ 4.21Å; M85-F102 HydrophobicContact CE-CD2 3.69Å; M85-F102 HydrophobicContact CE-CE2 3.19Å; M85-F102 HydrophobicContact CE-CZ 4.12Å; M85-F102 HydrophobicContact SD-CD2 4.36Å; M85-F102 HydrophobicContact SD-CE2 3.88Å; F89-F102 HydrophobicContact CE1-CB 4.4Å; F89-F102 HydrophobicContact CE1-CD2 4.39Å; F89-F102 WeakPolarHBondContact CE1-O 3.42Å; V97-F102 HydrophobicContact CG1-CB 4.14Å; N98-F102 PolarHBondContact O-N 2.81Å; Y99-F102 PolarHBondContact O-N 2.86Å; F102-H105 PolarHBondContact O-N 2.97Å; F102-Y106 HydrophobicContact CE1-CD2 4.45Å; F102-Y106 HydrophobicContact CE1-CG 4.19Å; F102-Y106 HydrophobicContact CE2-CD2 4.33Å; F102-Y106 AromaticContact CZ-CD2 3.68Å; F102-Y106 HydrophobicContact CZ-CD2 3.68Å; F102-Y106 HydrophobicContact CZ-CE2 4.47Å; F102-Y106 AromaticContact CZ-CG 3.82Å; F102-Y106 HydrophobicContact CZ-CG 3.82Å; F102-Y106 WeakPolarHBondContact O-CB 3.34Å; F102-Y106 PolarHBondContact O-N 2.85Å
103	L	58.4	Low	55.2	Low	15 Å²	15	64.3 Å²	64.3	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-70.3	-44.5	-177.4	-72.3	-178.7	0	0	113.4	F33 Y99 Q101 H105 Y106 I107	F33-L103 HydrophobicContact CB-CD1 4.08Å; F33-L103 HydrophobicContact CD1-CD1 3.47Å; F33-L103 VanDerWaalsContact CD1-CD1 3.47Å; F33-L103 HydrophobicContact CD2-CD1 3.62Å; F33-L103 HydrophobicContact CE1-CD1 3.55Å; F33-L103 HydrophobicContact CE1-CD2 4.26Å; F33-L103 HydrophobicContact CE2-CD1 3.68Å; F33-L103 HydrophobicContact CE2-CD2 3.97Å; F33-L103 HydrophobicContact CE2-CG 4.37Å; F33-L103 HydrophobicContact CG-CD1 3.45Å; F33-L103 VanDerWaalsContact CG-CD1 3.45Å; F33-L103 HydrophobicContact CZ-CD1 3.6Å; F33-L103 HydrophobicContact CZ-CD2 3.67Å; F33-L103 HydrophobicContact CZ-CG 4.29Å; Y99-L103 HydrophobicContact CD1-CD1 3.62Å; Y99-L103 HydrophobicContact CD1-CG 4.26Å; Y99-L103 HydrophobicContact CD2-CD1 4.28Å; Y99-L103 HydrophobicContact CD2-CG 4.35Å; Y99-L103 HydrophobicContact CE1-CD1 3.09Å; Y99-L103 HydrophobicContact CE1-CG 4.11Å; Y99-L103 HydrophobicContact CE2-CD1 3.78Å; Y99-L103 HydrophobicContact CE2-CD2 4.48Å; Y99-L103 HydrophobicContact CE2-CG 4.11Å; Y99-L103 HydrophobicContact CG-CD1 4.25Å; Y99-L103 HydrophobicContact CG-CG 4.47Å; Y99-L103 WeakPolarHBondContact O-CB 3.33Å; Y99-L103 WeakPolarHBondContact O-CG 3.3Å; Y99-L103 PolarHBondContact O-N 2.82Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 3.4Å; L103-H105 PolarHBondContact O-N 2.91Å; L103-H105 VanDerWaalsContact O-N 3.13Å; L103-Y106 PolarHBondContact O-N 3.02Å; L103-I107 VanDerWaalsContact O-CB 3.3Å; L103-I107 WeakPolarHBondContact O-CB 3.04Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3Å
104	S	56.2	Low	54.7	Low	40 Å²	40	62 Å²	62	28%	0.28	32%	0.315	S	S	.	.	H	α-helix	trans	-53.9	-37.3	179.3	-178.4	0	0	0	110.6	E100 Q101 E108	E100-S104 WeakPolarHBondContact O-CB 3.16Å; E100-S104 PolarHBondContact O-N 3.01Å; Q101-S104 PolarHBondContact O-N 2.74Å; S104-E108 PolarHBondContact O-N 2.77Å
105	H	57	Low	53.8	Low	38 Å²	38	60.2 Å²	60.2	18%	0.176	31%	0.305	C	S	.	.	H	α-helix	trans	-100.2	-24.6	-176	-152.5	82.8	0	0	113	V88 F89 Q101 F102 L103 I107 E108 T109	V88-H105 WeakPolarHBondContact CG1-CE1 3.49Å; V88-H105 WeakPolarHBondContact CG1-NE2 3.36Å; F89-H105 HydrophobicContact CD1-CB 4.08Å; F89-H105 HydrophobicContact CD2-CB 4.36Å; F89-H105 AromaticContact CD2-CD2 4Å; F89-H105 HydrophobicContact CE1-CB 3.21Å; F89-H105 HydrophobicContact CE2-CB 3.7Å; F89-H105 AromaticContact CE2-CD2 3.15Å; F89-H105 WeakPolarHBondContact CE2-CD2 2.86Å; F89-H105 AromaticContact CE2-CG 3.57Å; F89-H105 HydrophobicContact CZ-CB 3.17Å; F89-H105 AromaticContact CZ-CD2 3.47Å; F89-H105 VanDerWaalsContact CZ-CD2 3.47Å; F89-H105 WeakPolarHBondContact CZ-CD2 3.36Å; F89-H105 AromaticContact CZ-CG 3.58Å; Q101-H105 PolarHBondContact O-N 3.45Å; Q101-H105 VanDerWaalsContact O-N 3.11Å; F102-H105 PolarHBondContact O-N 2.97Å; L103-H105 PolarHBondContact O-N 2.91Å; L103-H105 VanDerWaalsContact O-N 3.13Å; H105-I107 VanDerWaalsContact C-N 3.25Å; H105-I107 PolarHBondContact O-N 2.82Å; H105-E108 VanDerWaalsContact C-N 3.34Å; H105-E108 IonicContact CE1-OE1 3.4Å; H105-E108 PolarHBondContact CE1-OE1 3.03Å; H105-E108 IonicContact ND1-OE1 2.65Å; H105-E108 CarbonylContact O-C 3.45Å; H105-E108 WeakPolarHBondContact O-CA 3.12Å; H105-E108 WeakPolarHBondContact O-CB 3.39Å; H105-E108 PolarHBondContact O-N 3.17Å; H105-T109 PolarHBondContact CD2-OG1 3.07Å; H105-T109 WeakPolarHBondContact O-CB 3.44Å; H105-T109 PolarHBondContact O-N 3.09Å; H105-T109 PolarHBondContact O-OG1 2.9Å
106	Y	57.8	Low	53	Low	56 Å²	56	63.7 Å²	63.7	22%	0.22	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-40.3	166.1	180	-97.5	0	0	109.8	E75 M85 F102 L103 E108 T109 V110	E75-Y106 PolarHBondContact OE2-OH 3.26Å; M85-Y106 HydrophobicContact CE-CD2 4.38Å; F102-Y106 HydrophobicContact CE1-CD2 4.45Å; F102-Y106 HydrophobicContact CE1-CG 4.19Å; F102-Y106 HydrophobicContact CE2-CD2 4.33Å; F102-Y106 AromaticContact CZ-CD2 3.68Å; F102-Y106 HydrophobicContact CZ-CD2 3.68Å; F102-Y106 HydrophobicContact CZ-CE2 4.47Å; F102-Y106 AromaticContact CZ-CG 3.82Å; F102-Y106 HydrophobicContact CZ-CG 3.82Å; F102-Y106 WeakPolarHBondContact O-CB 3.34Å; F102-Y106 PolarHBondContact O-N 2.85Å; L103-Y106 PolarHBondContact O-N 3.02Å; Y106-E108 PolarHBondContact O-N 3.4Å; Y106-T109 PolarHBondContact O-N 2.72Å; Y106-V110 HydrophobicContact CD1-CG2 4.07Å; Y106-V110 HydrophobicContact CD2-CG2 3.73Å; Y106-V110 HydrophobicContact CE1-CG2 3.86Å; Y106-V110 HydrophobicContact CE2-CG2 3.5Å; Y106-V110 VanDerWaalsContact CE2-CG2 3.5Å; Y106-V110 HydrophobicContact CG-CG2 4.02Å; Y106-V110 VanDerWaalsContact O-CB 3.22Å; Y106-V110 WeakPolarHBondContact O-CB 3.37Å; Y106-V110 VanDerWaalsContact O-CG2 3.24Å; Y106-V110 WeakPolarHBondContact O-CG2 3.29Å; Y106-V110 PolarHBondContact O-N 3.07Å
107	I	54.3	Low	52.1	Low	29 Å²	29	70.8 Å²	70.8	15%	0.149	37%	0.366	C	S	.	.	H	α-helix	trans	-67.5	-18.9	169	-61.9	170	0	0	111.9	I17 I28 F33 L103 H105 Y111	I17-I107 HydrophobicContact CD1-CG2 4.24Å; I17-I107 HydrophobicContact CG1-CG2 4.37Å; I28-I107 HydrophobicContact CD1-CD1 4Å; F33-I107 HydrophobicContact CE2-CD1 4.35Å; L103-I107 VanDerWaalsContact O-CB 3.3Å; L103-I107 WeakPolarHBondContact O-CB 3.04Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3Å; H105-I107 VanDerWaalsContact C-N 3.25Å; H105-I107 PolarHBondContact O-N 2.82Å; I107-Y111 HydrophobicContact CG2-CD2 4.21Å; I107-Y111 HydrophobicContact CG2-CE2 4.15Å; I107-Y111 WeakPolarHBondContact O-CB 3.45Å; I107-Y111 WeakPolarHBondContact O-CD2 3.43Å
108	E	53.6	Low	51.7	Low	76 Å²	76	74 Å²	74	36%	0.355	38%	0.381	S	S	.	.	H	α-helix	trans	-87.5	-43.4	173.1	-162.2	-174.3	106	0	112.2	S104 H105 Y106 Y111 K112	S104-E108 PolarHBondContact O-N 2.77Å; H105-E108 VanDerWaalsContact C-N 3.34Å; H105-E108 IonicContact CE1-OE1 3.4Å; H105-E108 PolarHBondContact CE1-OE1 3.03Å; H105-E108 IonicContact ND1-OE1 2.65Å; H105-E108 CarbonylContact O-C 3.45Å; H105-E108 WeakPolarHBondContact O-CA 3.12Å; H105-E108 WeakPolarHBondContact O-CB 3.39Å; H105-E108 PolarHBondContact O-N 3.17Å; Y106-E108 PolarHBondContact O-N 3.4Å; E108-Y111 CarbonylContact O-C 3.58Å; E108-Y111 PolarHBondContact O-N 3.39Å; E108-K112 HydrophobicContact CG-CD 4.26Å; E108-K112 WeakPolarHBondContact O-CB 3.32Å; E108-K112 WeakPolarHBondContact O-CG 3.11Å; E108-K112 PolarHBondContact O-N 2.91Å; E108-K112 IonicContact OE1-NZ 2.72Å; E108-K112 PolarHBondContact OE1-NZ 3.36Å
109	T	50.4	Low	51.2	Low	44 Å²	44	74.5 Å²	74.5	27%	0.27	38%	0.384	S	S	.	.	H	α-helix	trans	-77.5	-48.2	-172.3	-57.2	0	0	0	111.6	H105 Y106 Y111 K112 V113	H105-T109 PolarHBondContact CD2-OG1 3.07Å; H105-T109 WeakPolarHBondContact O-CB 3.44Å; H105-T109 PolarHBondContact O-N 3.09Å; H105-T109 PolarHBondContact O-OG1 2.9Å; Y106-T109 PolarHBondContact O-N 2.72Å; T109-Y111 PolarHBondContact O-N 3.45Å; T109-Y111 VanDerWaalsContact O-N 3.09Å; T109-K112 PolarHBondContact O-N 3.32Å; T109-V113 VanDerWaalsContact O-CG2 3.3Å; T109-V113 WeakPolarHBondContact O-CG2 3.43Å; T109-V113 PolarHBondContact O-N 2.83Å
110	V	51.6	Low	50.8	Low	58 Å²	58	77.6 Å²	77.6	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-57.7	-27.6	173.8	175.1	0	0	0	110.5	Y106	Y106-V110 HydrophobicContact CD1-CG2 4.07Å; Y106-V110 HydrophobicContact CD2-CG2 3.73Å; Y106-V110 HydrophobicContact CE1-CG2 3.86Å; Y106-V110 HydrophobicContact CE2-CG2 3.5Å; Y106-V110 VanDerWaalsContact CE2-CG2 3.5Å; Y106-V110 HydrophobicContact CG-CG2 4.02Å; Y106-V110 VanDerWaalsContact O-CB 3.22Å; Y106-V110 WeakPolarHBondContact O-CB 3.37Å; Y106-V110 VanDerWaalsContact O-CG2 3.24Å; Y106-V110 WeakPolarHBondContact O-CG2 3.29Å; Y106-V110 PolarHBondContact O-N 3.07Å
111	Y	47.7	Very low	50.6	Low	69 Å²	69	78.1 Å²	78.1	27%	0.271	41%	0.406	S	S	.	.	H	α-helix	trans	-97.1	-24.9	-177.4	-68.4	-83.2	0	0	114.8	L13 I107 E108 T109 I115	L13-Y111 HydrophobicContact CD1-CD1 3.58Å; L13-Y111 HydrophobicContact CD1-CE1 2.96Å; L13-Y111 HydrophobicContact CD1-CE2 4.2Å; L13-Y111 HydrophobicContact CD1-CG 4.41Å; L13-Y111 WeakPolarHBondContact CD1-OH 3.23Å; L13-Y111 HydrophobicContact CD2-CD1 3.25Å; L13-Y111 HydrophobicContact CD2-CD2 4.22Å; L13-Y111 HydrophobicContact CD2-CE1 3.66Å; L13-Y111 HydrophobicContact CD2-CE2 4.45Å; L13-Y111 HydrophobicContact CD2-CG 3.54Å; L13-Y111 HydrophobicContact CG-CD1 3.99Å; L13-Y111 HydrophobicContact CG-CE1 3.88Å; I107-Y111 HydrophobicContact CG2-CD2 4.21Å; I107-Y111 HydrophobicContact CG2-CE2 4.15Å; I107-Y111 WeakPolarHBondContact O-CB 3.45Å; I107-Y111 WeakPolarHBondContact O-CD2 3.43Å; E108-Y111 CarbonylContact O-C 3.58Å; E108-Y111 PolarHBondContact O-N 3.39Å; T109-Y111 PolarHBondContact O-N 3.45Å; T109-Y111 VanDerWaalsContact O-N 3.09Å; Y111-I115 WeakPolarHBondContact O-CD1 3.24Å; Y111-I115 VanDerWaalsContact O-CG1 3.24Å; Y111-I115 WeakPolarHBondContact O-CG1 3.32Å
112	K	46.7	Very low	50.1	Low	127 Å²	127	78 Å²	78	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-72.2	-35.7	168.4	-88.7	179.5	176.7	163.3	112	E108 T109 H114 I115	E108-K112 HydrophobicContact CG-CD 4.26Å; E108-K112 WeakPolarHBondContact O-CB 3.32Å; E108-K112 WeakPolarHBondContact O-CG 3.11Å; E108-K112 PolarHBondContact O-N 2.91Å; E108-K112 IonicContact OE1-NZ 2.72Å; E108-K112 PolarHBondContact OE1-NZ 3.36Å; T109-K112 PolarHBondContact O-N 3.32Å; K112-H114 PolarHBondContact O-N 3.32Å; K112-I115 PolarHBondContact O-N 3.29Å
113	V	45.3	Very low	49.4	Very low	99 Å²	99	82.3 Å²	82.3	60%	0.6	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.7	178.1	171.5	0	0	0	111.9	T109	T109-V113 VanDerWaalsContact O-CG2 3.3Å; T109-V113 WeakPolarHBondContact O-CG2 3.43Å; T109-V113 PolarHBondContact O-N 2.83Å
114	H	43.2	Very low	48.8	Very low	149 Å²	149	87.1 Å²	87.1	69%	0.69	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	2.5	178.8	-103.7	74.5	0	0	115.5	K112	K112-H114 PolarHBondContact O-N 3.32Å
115	I	41.5	Very low	48.2	Very low	103 Å²	103	90.7 Å²	90.7	53%	0.528	47%	0.469	S	S	.	.	S	Bend	trans	-100.9	-2	174.6	-68.1	170.9	0	0	111.5	Y111 K112	Y111-I115 WeakPolarHBondContact O-CD1 3.24Å; Y111-I115 VanDerWaalsContact O-CG1 3.24Å; Y111-I115 WeakPolarHBondContact O-CG1 3.32Å; K112-I115 PolarHBondContact O-N 3.29Å
116	S	40	Very low	47.5	Very low	104 Å²	104	95.1 Å²	95.1	73%	0.727	49%	0.494	S	S	*	.			trans	-105.6	51.2	172.4	-54.8	0	0	0	111.5
117	D	37.9	Very low	46.6	Very low	227 Å²	227	98.6 Å²	98.6	100%	1.214	52%	0.519	S	S	*	.			trans	-147.4	0	150.9	-150.2	-101.4	0	0	109.6

Retrieved 117 of 117 residues in 169.3 ms (Link to these results)

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