A0A3Q0KQE5_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 130 aa.

						>A0A3Q0KQE5_SCHMA|A0A3Q0KQE5
MSETPTMKHLNIVNADETPEVSNLELFLEFINCVMSKDFRQAINLAKQILESEPNNSQIQDFLPLLNEADYMKTAGVFHSVTDDSDTESEGVDDDNSYLSTSTDTDSSDDLDYTSSDSDSYRCRKKVHGS
					

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	43.9	Very low	61.7	Low	240 Å²	240	164.7 Å²	164.7	100%	1.182	87%	0.871	S	S	*	*				0	95.1	0	-73.2	-178.5	167.5	0	0	107.4
2	S	59.8	Low	60.7	Low	123 Å²	123	164.4 Å²	164.4	86%	0.86	87%	0.867	S	S	*	*			trans	-155.3	102.9	173.1	-48.9	0	0	0	0	109
3	E	58.7	Low	60.4	Low	193 Å²	193	160 Å²	160	90%	0.902	85%	0.85	S	S	*	*			trans	-7.2	130.2	167.4	-63.5	168.4	150.7	0	0	120.2
4	T	70	Confident	59.6	Low	127 Å²	127	156.9 Å²	156.9	78%	0.779	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74.1	140.5	165.6	43.5	0	0	0	0	111.8	T6	T4-T6 PolarHBondContact O-N 3.49Å
5	P	74	Confident	59.1	Low	128 Å²	128	154.3 Å²	154.3	83%	0.831	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.8	173.4	-12.3	26.6	0	0	0	111.4	M7	P5-M7 PolarHBondContact O-N 3.36Å
6	T	65.3	Low	58.6	Low	119 Å²	119	153.4 Å²	153.4	73%	0.73	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.4	119.2	168.8	27	0	0	0	0	109.9	T4 K8	T4-T6 PolarHBondContact O-N 3.49Å; T6-K8 PolarHBondContact O-N 3.12Å; T6-K8 VanDerWaalsContact O-N 3.12Å
7	M	68.9	Low	57.8	Low	193 Å²	193	154 Å²	154	95%	0.951	83%	0.833	S	S	*	*			trans	-65.6	109.2	164	-77.3	-164	-172.6	0	0	108.3	P5	P5-M7 PolarHBondContact O-N 3.36Å
8	K	66.4	Low	57.5	Low	186 Å²	186	151.3 Å²	151.3	81%	0.809	82%	0.823	S	S	*	*			trans	-77	124.8	170.5	-64.4	-178.4	-178.2	-180	0	108	T6 L10	T6-K8 PolarHBondContact O-N 3.12Å; T6-K8 VanDerWaalsContact O-N 3.12Å; K8-L10 PolarHBondContact O-N 3.34Å
9	H	57.7	Low	57.5	Low	187 Å²	187	149.3 Å²	149.3	87%	0.866	82%	0.818	S	S	*	*			trans	-30.3	121.5	167.7	-90.6	-97.1	0	0	0	112.7
10	L	58.8	Low	58	Low	173 Å²	173	151.1 Å²	151.1	91%	0.906	82%	0.82	S	S	*	*			trans	-70.4	134.3	164.4	-85.5	158	0	0	0	109.3	K8	K8-L10 PolarHBondContact O-N 3.34Å
11	N	55.1	Low	59	Low	143 Å²	143	147.1 Å²	147.1	77%	0.765	80%	0.801	S	S	*	*			trans	-46.9	135.8	-172	-91.1	-22.6	0	0	0	115.5	V13	N11-V13 HydrophobicContact CB-CG2 4.38Å; N11-V13 PolarHBondContact O-N 3.41Å
12	I	49.6	Very low	61.2	Low	161 Å²	161	138.6 Å²	138.6	83%	0.826	77%	0.765	S	S	*	*			trans	-45.1	120.5	141.1	-67.1	158.4	0	0	0	109.5
13	V	57.7	Low	62.7	Low	107 Å²	107	135.4 Å²	135.4	65%	0.648	74%	0.738	S	S	*	*			trans	-143	106.5	149.9	-128.7	0	0	0	0	108.7	N11	N11-V13 HydrophobicContact CB-CG2 4.38Å; N11-V13 PolarHBondContact O-N 3.41Å
14	N	49.1	Very low	64.3	Low	116 Å²	116	131.8 Å²	131.8	62%	0.62	73%	0.725	S	S	*	*			trans	51.5	105.9	147.8	-59	-16.7	0	0	0	120.9	D16	N14-D16 PolarHBondContact O-N 3.25Å
15	A	51.9	Low	65.6	Low	118 Å²	118	131.1 Å²	131.1	98%	0.975	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	48.3	162	0	0	0	0	0	113
16	D	50.8	Low	66.6	Low	140 Å²	140	126 Å²	126	75%	0.749	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.9	17.1	173.8	-158.7	34.3	0	0	0	112.4	N14 T18	N14-D16 PolarHBondContact O-N 3.25Å; D16-T18 VanDerWaalsContact C-N 3.29Å; D16-T18 PolarHBondContact O-N 2.94Å
17	E	45	Very low	68.1	Low	164 Å²	164	124.1 Å²	124.1	77%	0.766	66%	0.66	S	S	*	*			trans	-77.6	82.2	170.4	-66.9	-175.8	161.6	0	0	108.8	P19	E17-P19 WeakPolarHBondContact O-CD 3.45Å
18	T	52.6	Low	69.4	Low	105 Å²	105	120 Å²	120	64%	0.644	64%	0.642	S	S	*	*			trans	-55.5	122.5	146.5	48.8	0	0	0	0	105.4	D16 E20	D16-T18 VanDerWaalsContact C-N 3.29Å; D16-T18 PolarHBondContact O-N 2.94Å; T18-E20 PolarHBondContact O-N 2.87Å
19	P	57.9	Low	70.9	Confident	113 Å²	113	115.4 Å²	115.4	73%	0.734	62%	0.623	S	S	*	*			trans	-58.9	106.3	177.5	24.2	-31.7	0	0	0	106.7	E17 V21	E17-P19 WeakPolarHBondContact O-CD 3.45Å; P19-V21 VanDerWaalsContact C-N 3.3Å; P19-V21 PolarHBondContact O-N 3.33Å
20	E	67.5	Low	72.8	Confident	185 Å²	185	106.5 Å²	106.5	86%	0.864	58%	0.582	S	S	*	*			trans	-63.1	100.2	173.4	-72.9	-167.3	172	0	0	106.1	T18 S22	T18-E20 PolarHBondContact O-N 2.87Å; E20-S22 PolarHBondContact O-N 2.89Å
21	V	78.7	Confident	74.7	Confident	68 Å²	68	101.1 Å²	101.1	41%	0.412	55%	0.553	S	S	.	*			trans	-62.4	120.4	175.3	-178.1	0	0	0	0	106.5	P19 E25 L26	P19-V21 VanDerWaalsContact C-N 3.3Å; P19-V21 PolarHBondContact O-N 3.33Å; V21-E25 HydrophobicContact CG1-CB 3.74Å; V21-E25 HydrophobicContact CG1-CG 3.67Å; V21-L26 HydrophobicContact CB-CD2 4.27Å; V21-L26 HydrophobicContact CB-CG 4.32Å; V21-L26 HydrophobicContact CG1-CD2 3.78Å; V21-L26 HydrophobicContact CG1-CG 3.78Å
22	S	90.2	Very high	76.7	Confident	62 Å²	62	97.7 Å²	97.7	43%	0.434	54%	0.535	S	S	.	.			trans	-62.6	149.6	-178.1	69.8	0	0	0	0	110.9	E20 L24 E25 L26	E20-S22 PolarHBondContact O-N 2.89Å; S22-L24 PolarHBondContact O-N 3.01Å; S22-L24 VanDerWaalsContact O-N 3.09Å; S22-E25 WeakPolarHBondContact O-CB 3.44Å; S22-E25 PolarHBondContact O-N 2.98Å; S22-E25 WeakPolarHBondContact OG-CB 3.48Å; S22-E25 PolarHBondContact OG-N 3.3Å; S22-L26 PolarHBondContact O-N 3.21Å
23	N	90.1	Very high	79	Confident	55 Å²	55	90.2 Å²	90.2	29%	0.294	50%	0.497	S	S	.	.	H	α-helix	trans	-52.8	-34.1	174.9	-81.2	-4.1	0	0	0	112.8	F27 S52 E53	N23-F27 WeakPolarHBondContact O-CB 3.31Å; N23-F27 PolarHBondContact O-N 3.09Å; N23-S52 PolarHBondContact ND2-OG 2.93Å; N23-S52 WeakPolarHBondContact OD1-CB 3.33Å; N23-S52 PolarHBondContact OD1-OG 2.7Å; N23-E53 WeakPolarHBondContact ND2-CG 3.34Å; N23-E53 PolarHBondContact ND2-OE1 3.15Å
24	L	93.7	Very high	80.9	Confident	117 Å²	117	87.2 Å²	87.2	61%	0.613	48%	0.478	S	S	*	.	H	α-helix	trans	-64.9	-42.9	175.9	179.3	62	0	0	0	111.8	S22 F27 L28	S22-L24 PolarHBondContact O-N 3.01Å; S22-L24 VanDerWaalsContact O-N 3.09Å; L24-F27 PolarHBondContact O-N 3.01Å; L24-L28 HydrophobicContact CD1-CG 4.39Å; L24-L28 HydrophobicContact CG-CD1 4.31Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 2.99Å
25	E	95.8	Very high	83.1	Confident	113 Å²	113	88 Å²	88	53%	0.528	48%	0.48	S	S	.	.	H	α-helix	trans	-67.4	-42.2	178.5	-175.4	173.3	-169.3	0	0	111.4	V21 S22 F27 L28 E29	V21-E25 HydrophobicContact CG1-CB 3.74Å; V21-E25 HydrophobicContact CG1-CG 3.67Å; S22-E25 WeakPolarHBondContact O-CB 3.44Å; S22-E25 PolarHBondContact O-N 2.98Å; S22-E25 WeakPolarHBondContact OG-CB 3.48Å; S22-E25 PolarHBondContact OG-N 3.3Å; E25-F27 VanDerWaalsContact C-N 3.3Å; E25-F27 PolarHBondContact O-N 2.85Å; E25-L28 PolarHBondContact O-N 3.19Å; E25-E29 WeakPolarHBondContact O-CB 3.48Å; E25-E29 PolarHBondContact O-N 2.92Å
26	L	95.7	Very high	85.2	Confident	21 Å²	21	86 Å²	86	11%	0.11	46%	0.459	C	S	.	.	H	α-helix	trans	-58.2	-42.5	171.1	-69.9	176.2	0	0	0	111.8	V21 S22 F30 L45 Q48 I49	V21-L26 HydrophobicContact CB-CD2 4.27Å; V21-L26 HydrophobicContact CB-CG 4.32Å; V21-L26 HydrophobicContact CG1-CD2 3.78Å; V21-L26 HydrophobicContact CG1-CG 3.78Å; S22-L26 PolarHBondContact O-N 3.21Å; L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.28Å; L26-L45 HydrophobicContact CD2-CD2 3.91Å; L26-Q48 HydrophobicContact CD1-CB 4.38Å; L26-I49 HydrophobicContact CB-CD1 4.38Å; L26-I49 HydrophobicContact CB-CG1 3.89Å
27	F	96.3	Very high	87.3	Confident	80 Å²	80	84 Å²	84	35%	0.351	44%	0.443	S	S	.	.	H	α-helix	trans	-67.8	-41.5	178.7	-178.3	-103.8	0	0	0	112.7	N23 L24 E25 F30 I31 I49 I59	N23-F27 WeakPolarHBondContact O-CB 3.31Å; N23-F27 PolarHBondContact O-N 3.09Å; L24-F27 PolarHBondContact O-N 3.01Å; E25-F27 VanDerWaalsContact C-N 3.3Å; E25-F27 PolarHBondContact O-N 2.85Å; F27-F30 HydrophobicContact CD2-CD1 4.17Å; F27-F30 HydrophobicContact CE2-CD1 4.17Å; F27-F30 HydrophobicContact CE2-CE1 4.49Å; F27-F30 WeakPolarHBondContact O-CB 3.49Å; F27-F30 PolarHBondContact O-N 2.79Å; F27-I31 HydrophobicContact CD1-CG1 4.4Å; F27-I31 HydrophobicContact CE1-CD1 4.44Å; F27-I31 HydrophobicContact CE1-CG1 3.97Å; F27-I31 HydrophobicContact CE2-CD1 4.23Å; F27-I31 HydrophobicContact CE2-CG1 4.33Å; F27-I31 HydrophobicContact CZ-CD1 3.92Å; F27-I31 HydrophobicContact CZ-CG1 3.94Å; F27-I31 WeakPolarHBondContact O-CG1 3.39Å; F27-I31 PolarHBondContact O-N 3.33Å; F27-I49 HydrophobicContact CB-CD1 4.28Å; F27-I49 HydrophobicContact CD2-CD1 4.36Å; F27-I59 HydrophobicContact CD2-CD1 4.08Å; F27-I59 HydrophobicContact CE2-CD1 4.01Å
28	L	97.5	Very high	89.8	Confident	107 Å²	107	79.5 Å²	79.5	56%	0.56	43%	0.425	S	S	*	.	H	α-helix	trans	-63.5	-43	175.9	-71.4	174.8	0	0	0	111.5	L24 E25 F30 I31 N32	L24-L28 HydrophobicContact CD1-CG 4.39Å; L24-L28 HydrophobicContact CG-CD1 4.31Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 2.99Å; E25-L28 PolarHBondContact O-N 3.19Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-I31 PolarHBondContact O-N 3.28Å; L28-N32 PolarHBondContact O-N 3.29Å
29	E	97.6	Very high	91.9	Very high	88 Å²	88	75.2 Å²	75.2	41%	0.411	40%	0.397	S	S	.	.	H	α-helix	trans	-64.8	-39.2	175.4	-171.9	58.6	-159.5	0	0	111.2	E25 I31 N32 C33 L45	E25-E29 WeakPolarHBondContact O-CB 3.48Å; E25-E29 PolarHBondContact O-N 2.92Å; E29-I31 PolarHBondContact O-N 3.4Å; E29-N32 WeakPolarHBondContact O-CB 3.37Å; E29-N32 PolarHBondContact O-N 3.44Å; E29-C33 PolarHBondContact O-N 2.99Å; E29-C33 PolarHBondContact O-SG 3.01Å; E29-L45 HydrophobicContact CB-CD1 4.1Å; E29-L45 HydrophobicContact CG-CD1 3.67Å; E29-L45 HydrophobicContact CG-CD2 4.4Å
30	F	97.9	Very high	93.8	Very high	1 Å²	1	78.3 Å²	78.3	0%	0.004	39%	0.394	C	S	.	.	H	α-helix	trans	-55.5	-50.8	173.4	163.8	-100.7	0	0	0	111.4	L26 F27 L28 N32 C33 V34 A42 L45 A46 I49 I59 F62 L66	L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.28Å; F27-F30 HydrophobicContact CD2-CD1 4.17Å; F27-F30 HydrophobicContact CE2-CD1 4.17Å; F27-F30 HydrophobicContact CE2-CE1 4.49Å; F27-F30 WeakPolarHBondContact O-CB 3.49Å; F27-F30 PolarHBondContact O-N 2.79Å; L28-F30 VanDerWaalsContact C-N 3.32Å; F30-N32 VanDerWaalsContact C-N 3.3Å; F30-N32 PolarHBondContact O-N 3.49Å; F30-C33 PolarHBondContact O-N 3.01Å; F30-V34 HydrophobicContact CD2-CG2 4.4Å; F30-V34 HydrophobicContact CE1-CG2 4.25Å; F30-V34 HydrophobicContact CE2-CG2 3.97Å; F30-V34 HydrophobicContact CZ-CG2 3.89Å; F30-V34 WeakPolarHBondContact O-CG2 3.32Å; F30-V34 PolarHBondContact O-N 3.43Å; F30-A42 HydrophobicContact CD2-CB 4.13Å; F30-A42 WeakPolarHBondContact CD2-O 3.42Å; F30-A42 HydrophobicContact CE2-CB 4.15Å; F30-L45 HydrophobicContact CB-CB 4Å; F30-L45 HydrophobicContact CB-CD1 4.4Å; F30-L45 HydrophobicContact CD2-CB 4.39Å; F30-A46 HydrophobicContact CD2-CB 4.22Å; F30-A46 HydrophobicContact CE2-CB 3.94Å; F30-I49 HydrophobicContact CB-CD1 4.02Å; F30-I49 HydrophobicContact CG-CD1 4.35Å; F30-I59 HydrophobicContact CD1-CD1 4.09Å; F30-I59 HydrophobicContact CE1-CD1 3.8Å; F30-I59 HydrophobicContact CZ-CD1 4.15Å; F30-F62 HydrophobicContact CZ-CB 4.15Å; F30-F62 HydrophobicContact CZ-CD2 4.35Å; F30-F62 HydrophobicContact CZ-CG 4.16Å; F30-L66 HydrophobicContact CE2-CD1 3.59Å; F30-L66 HydrophobicContact CZ-CD1 4.06Å
31	I	97.7	Very high	95.2	Very high	60 Å²	60	73 Å²	73	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-40.6	178.2	-64	-61.8	0	0	0	111.1	F27 L28 E29 C33 V34 M35	F27-I31 HydrophobicContact CD1-CG1 4.4Å; F27-I31 HydrophobicContact CE1-CD1 4.44Å; F27-I31 HydrophobicContact CE1-CG1 3.97Å; F27-I31 HydrophobicContact CE2-CD1 4.23Å; F27-I31 HydrophobicContact CE2-CG1 4.33Å; F27-I31 HydrophobicContact CZ-CD1 3.92Å; F27-I31 HydrophobicContact CZ-CG1 3.94Å; F27-I31 WeakPolarHBondContact O-CG1 3.39Å; F27-I31 PolarHBondContact O-N 3.33Å; L28-I31 PolarHBondContact O-N 3.28Å; E29-I31 PolarHBondContact O-N 3.4Å; I31-C33 PolarHBondContact O-N 3.39Å; I31-V34 PolarHBondContact O-N 2.82Å; I31-M35 HydrophobicContact CG2-CE 4Å; I31-M35 HydrophobicContact CG2-CG 4.49Å; I31-M35 HydrophobicContact CG2-SD 4.3Å; I31-M35 WeakPolarHBondContact O-CG 3.3Å; I31-M35 PolarHBondContact O-N 3.07Å
32	N	97.7	Very high	96.2	Very high	70 Å²	70	69.7 Å²	69.7	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-45.5	175.7	-175.2	45.7	0	0	0	112.1	L28 E29 F30 V34 M35 S36	L28-N32 PolarHBondContact O-N 3.29Å; E29-N32 WeakPolarHBondContact O-CB 3.37Å; E29-N32 PolarHBondContact O-N 3.44Å; F30-N32 VanDerWaalsContact C-N 3.3Å; F30-N32 PolarHBondContact O-N 3.49Å; N32-V34 PolarHBondContact O-N 3.18Å; N32-M35 PolarHBondContact O-N 3.3Å; N32-S36 VanDerWaalsContact O-CB 3.28Å; N32-S36 WeakPolarHBondContact O-CB 3.44Å; N32-S36 PolarHBondContact O-N 3.47Å; N32-S36 PolarHBondContact O-OG 2.9Å
33	C	97.9	Very high	96.6	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.034	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-42	175.9	-65.6	0	0	0	0	112.2	E29 F30 I31 S36 K37 D38 Q41 A42	E29-C33 PolarHBondContact O-N 2.99Å; E29-C33 PolarHBondContact O-SG 3.01Å; F30-C33 PolarHBondContact O-N 3.01Å; I31-C33 PolarHBondContact O-N 3.39Å; C33-S36 CarbonylContact O-C 3.58Å; C33-S36 PolarHBondContact O-N 3.37Å; C33-K37 PolarHBondContact O-N 3.26Å; C33-K37 VanDerWaalsContact O-N 3.11Å; C33-D38 HydrophobicContact CB-CB 4.29Å; C33-D38 PolarHBondContact O-N 3.24Å; C33-Q41 HydrophobicContact CB-CB 4.39Å; C33-Q41 WeakPolarHBondContact SG-CG 3.35Å; C33-A42 HydrophobicContact CB-CB 3.8Å
34	V	96.8	Very high	96.9	Very high	43 Å²	43	67.9 Å²	67.9	26%	0.261	34%	0.335	S	S	.	.	H	α-helix	trans	-59.8	-49.2	176.5	175	0	0	0	0	111	F30 I31 N32 S36 K37 A42 L66	F30-V34 HydrophobicContact CD2-CG2 4.4Å; F30-V34 HydrophobicContact CE1-CG2 4.25Å; F30-V34 HydrophobicContact CE2-CG2 3.97Å; F30-V34 HydrophobicContact CZ-CG2 3.89Å; F30-V34 WeakPolarHBondContact O-CG2 3.32Å; F30-V34 PolarHBondContact O-N 3.43Å; I31-V34 PolarHBondContact O-N 2.82Å; N32-V34 PolarHBondContact O-N 3.18Å; V34-S36 VanDerWaalsContact C-N 3.32Å; V34-S36 PolarHBondContact O-N 2.99Å; V34-K37 PolarHBondContact O-N 2.88Å; V34-K37 VanDerWaalsContact O-N 3.16Å; V34-A42 HydrophobicContact CG2-CB 3.89Å; V34-L66 HydrophobicContact CG2-CD2 3.96Å
35	M	96.1	Very high	97.1	Very high	134 Å²	134	62.7 Å²	62.7	66%	0.66	31%	0.308	S	S	*	.	H	α-helix	trans	-64.7	-36.8	179.6	-67.9	-173.3	-59	0	0	112.5	I31 N32 K37	I31-M35 HydrophobicContact CG2-CE 4Å; I31-M35 HydrophobicContact CG2-CG 4.49Å; I31-M35 HydrophobicContact CG2-SD 4.3Å; I31-M35 WeakPolarHBondContact O-CG 3.3Å; I31-M35 PolarHBondContact O-N 3.07Å; N32-M35 PolarHBondContact O-N 3.3Å; M35-K37 PolarHBondContact O-N 2.91Å
36	S	95.8	Very high	97.2	Very high	75 Å²	75	57.3 Å²	57.3	52%	0.524	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	1.4	178.4	-52	0	0	0	0	113.3	N32 C33 V34 D38	N32-S36 VanDerWaalsContact O-CB 3.28Å; N32-S36 WeakPolarHBondContact O-CB 3.44Å; N32-S36 PolarHBondContact O-N 3.47Å; N32-S36 PolarHBondContact O-OG 2.9Å; C33-S36 CarbonylContact O-C 3.58Å; C33-S36 PolarHBondContact O-N 3.37Å; V34-S36 VanDerWaalsContact C-N 3.32Å; V34-S36 PolarHBondContact O-N 2.99Å; S36-D38 PolarHBondContact O-N 3.25Å
37	K	95.1	Very high	97.3	Very high	97 Å²	97	61.5 Å²	61.5	42%	0.422	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	27.3	-174.5	-52.4	177.9	-176.7	175.6	0	113.1	C33 V34 M35 F39 K73	C33-K37 PolarHBondContact O-N 3.26Å; C33-K37 VanDerWaalsContact O-N 3.11Å; V34-K37 PolarHBondContact O-N 2.88Å; V34-K37 VanDerWaalsContact O-N 3.16Å; M35-K37 PolarHBondContact O-N 2.91Å; K37-F39 HydrophobicContact CB-CE1 4.32Å; K37-F39 HydrophobicContact CB-CE2 3.95Å; K37-F39 HydrophobicContact CB-CZ 3.74Å; K37-F39 HydrophobicContact CG-CZ 4Å; K37-F39 PolarHBondContact O-N 2.94Å; K37-K73 PolarHBondContact O-NZ 3.48Å
38	D	97	Very high	97.3	Very high	70 Å²	70	61.6 Å²	61.6	37%	0.374	30%	0.301	S	S	.	.			trans	-87.3	68.3	169.2	-165.1	-12.5	0	0	0	109.7	C33 S36 R40 Q41 A42	C33-D38 HydrophobicContact CB-CB 4.29Å; C33-D38 PolarHBondContact O-N 3.24Å; S36-D38 PolarHBondContact O-N 3.25Å; D38-R40 VanDerWaalsContact C-N 3.26Å; D38-R40 PolarHBondContact O-N 3.14Å; D38-Q41 HydrophobicContact CB-CB 4.3Å; D38-Q41 VanDerWaalsContact CG-CB 3.47Å; D38-Q41 PolarHBondContact O-N 2.74Å; D38-Q41 WeakPolarHBondContact OD1-CB 3.48Å; D38-Q41 PolarHBondContact OD1-N 3.14Å; D38-A42 PolarHBondContact O-N 3.16Å
39	F	97.3	Very high	97.2	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-35.7	-174.8	-54.8	-53.5	0	0	0	112.1	K37 Q41 A42 I43 L66 A69 D70 K73 F78	K37-F39 HydrophobicContact CB-CE1 4.32Å; K37-F39 HydrophobicContact CB-CE2 3.95Å; K37-F39 HydrophobicContact CB-CZ 3.74Å; K37-F39 HydrophobicContact CG-CZ 4Å; K37-F39 PolarHBondContact O-N 2.94Å; F39-Q41 PolarHBondContact O-N 3.05Å; F39-A42 PolarHBondContact O-N 3.43Å; F39-I43 WeakPolarHBondContact O-CD1 3.48Å; F39-I43 WeakPolarHBondContact O-CG1 3.4Å; F39-I43 PolarHBondContact O-N 3.47Å; F39-L66 HydrophobicContact CD1-CD2 3.92Å; F39-A69 HydrophobicContact CD1-CB 3.84Å; F39-A69 HydrophobicContact CD2-CB 3.71Å; F39-A69 WeakPolarHBondContact CD2-O 3.28Å; F39-A69 HydrophobicContact CE1-CB 3.86Å; F39-A69 HydrophobicContact CE2-CB 3.72Å; F39-A69 HydrophobicContact CG-CB 3.77Å; F39-A69 HydrophobicContact CZ-CB 3.8Å; F39-D70 HydrophobicContact CB-CB 3.85Å; F39-K73 HydrophobicContact CD2-CB 4.2Å; F39-K73 HydrophobicContact CD2-CD 3.95Å; F39-K73 HydrophobicContact CE2-CB 4.33Å; F39-K73 HydrophobicContact CE2-CD 4.21Å; F39-F78 AromaticContact CE2-CE2 3.98Å; F39-F78 HydrophobicContact CE2-CE2 3.98Å; F39-F78 AromaticContact CE2-CZ 3.94Å; F39-F78 HydrophobicContact CE2-CZ 3.94Å; F39-F78 HydrophobicContact CZ-CE1 4.49Å; F39-F78 HydrophobicContact CZ-CZ 4.12Å
40	R	97.1	Very high	97.1	Very high	179 Å²	179	53.9 Å²	53.9	68%	0.675	26%	0.263	S	S	*	.	H	α-helix	trans	-62.1	-44.2	177.1	-161.4	165.3	88.5	141.2	2.9	112.2	D38 N44	D38-R40 VanDerWaalsContact C-N 3.26Å; D38-R40 PolarHBondContact O-N 3.14Å; R40-N44 PolarHBondContact O-N 3.22Å; R40-N44 PolarHBondContact O-ND2 3.24Å
41	Q	98.1	Very high	97	Very high	72 Å²	72	61.6 Å²	61.6	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-69.6	-39.4	175.4	-172.5	59	23.7	0	0	111.8	C33 D38 F39 I43 N44 L45	C33-Q41 HydrophobicContact CB-CB 4.39Å; C33-Q41 WeakPolarHBondContact SG-CG 3.35Å; D38-Q41 HydrophobicContact CB-CB 4.3Å; D38-Q41 VanDerWaalsContact CG-CB 3.47Å; D38-Q41 PolarHBondContact O-N 2.74Å; D38-Q41 WeakPolarHBondContact OD1-CB 3.48Å; D38-Q41 PolarHBondContact OD1-N 3.14Å; F39-Q41 PolarHBondContact O-N 3.05Å; Q41-I43 VanDerWaalsContact C-N 3.31Å; Q41-I43 PolarHBondContact O-N 3.05Å; Q41-N44 PolarHBondContact O-N 3.37Å; Q41-N44 VanDerWaalsContact O-N 3.14Å; Q41-L45 HydrophobicContact CG-CD1 4.05Å; Q41-L45 WeakPolarHBondContact O-CG 3.45Å; Q41-L45 PolarHBondContact O-N 3.5Å
42	A	98.2	Very high	96.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-40.5	175.1	0	0	0	0	0	112.3	F30 C33 V34 D38 F39 N44 L45 A46 L66	F30-A42 HydrophobicContact CD2-CB 4.13Å; F30-A42 WeakPolarHBondContact CD2-O 3.42Å; F30-A42 HydrophobicContact CE2-CB 4.15Å; C33-A42 HydrophobicContact CB-CB 3.8Å; V34-A42 HydrophobicContact CG2-CB 3.89Å; D38-A42 PolarHBondContact O-N 3.16Å; F39-A42 PolarHBondContact O-N 3.43Å; A42-N44 VanDerWaalsContact C-N 3.35Å; A42-N44 PolarHBondContact O-N 3.02Å; A42-L45 PolarHBondContact O-N 2.89Å; A42-A46 WeakPolarHBondContact O-CB 3.44Å; A42-A46 PolarHBondContact O-N 3.05Å; A42-L66 HydrophobicContact CB-CD1 4.11Å; A42-L66 HydrophobicContact CB-CD2 4.04Å
43	I	98.2	Very high	96.6	Very high	10 Å²	10	61.8 Å²	61.8	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-42	175.9	-69	160.1	0	0	0	111.2	F39 Q41 A46 K47 L63 L66 D70	F39-I43 WeakPolarHBondContact O-CD1 3.48Å; F39-I43 WeakPolarHBondContact O-CG1 3.4Å; F39-I43 PolarHBondContact O-N 3.47Å; Q41-I43 VanDerWaalsContact C-N 3.31Å; Q41-I43 PolarHBondContact O-N 3.05Å; I43-A46 PolarHBondContact O-N 3.46Å; I43-K47 HydrophobicContact CG2-CD 4.38Å; I43-K47 WeakPolarHBondContact O-CG 3.1Å; I43-K47 PolarHBondContact O-N 3.42Å; I43-K47 VanDerWaalsContact O-N 3.11Å; I43-L63 HydrophobicContact CG2-CD2 4.33Å; I43-L66 HydrophobicContact CD1-CB 4.21Å; I43-L66 HydrophobicContact CG1-CB 3.63Å; I43-L66 HydrophobicContact CG1-CD1 4.47Å; I43-D70 HydrophobicContact CD1-CB 4.19Å
44	N	97.9	Very high	96.5	Very high	69 Å²	69	65.1 Å²	65.1	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-39.1	179.5	-69.6	-25.1	0	0	0	112	R40 Q41 A42 K47 Q48	R40-N44 PolarHBondContact O-N 3.22Å; R40-N44 PolarHBondContact O-ND2 3.24Å; Q41-N44 PolarHBondContact O-N 3.37Å; Q41-N44 VanDerWaalsContact O-N 3.14Å; A42-N44 VanDerWaalsContact C-N 3.35Å; A42-N44 PolarHBondContact O-N 3.02Å; N44-K47 PolarHBondContact O-N 2.88Å; N44-Q48 WeakPolarHBondContact O-CG 3.33Å; N44-Q48 PolarHBondContact O-N 3.11Å; N44-Q48 VanDerWaalsContact O-N 3.16Å; N44-Q48 PolarHBondContact O-NE2 3.4Å
45	L	97.6	Very high	96.5	Very high	8 Å²	8	70.3 Å²	70.3	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-69.5	-41.9	176.7	-68.8	163	0	0	0	111.5	L26 E29 F30 Q41 A42 K47 Q48 I49	L26-L45 HydrophobicContact CD2-CD2 3.91Å; E29-L45 HydrophobicContact CB-CD1 4.1Å; E29-L45 HydrophobicContact CG-CD1 3.67Å; E29-L45 HydrophobicContact CG-CD2 4.4Å; F30-L45 HydrophobicContact CB-CB 4Å; F30-L45 HydrophobicContact CB-CD1 4.4Å; F30-L45 HydrophobicContact CD2-CB 4.39Å; Q41-L45 HydrophobicContact CG-CD1 4.05Å; Q41-L45 WeakPolarHBondContact O-CG 3.45Å; Q41-L45 PolarHBondContact O-N 3.5Å; A42-L45 PolarHBondContact O-N 2.89Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.13Å; L45-Q48 PolarHBondContact O-N 3.17Å; L45-Q48 VanDerWaalsContact O-N 3.15Å; L45-I49 VanDerWaalsContact O-CG1 3.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.37Å; L45-I49 PolarHBondContact O-N 3.31Å
46	A	97.4	Very high	96.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-56.3	-42.4	174.2	0	0	0	0	0	112	F30 A42 I43 I49 L50 I59 L63	F30-A46 HydrophobicContact CD2-CB 4.22Å; F30-A46 HydrophobicContact CE2-CB 3.94Å; A42-A46 WeakPolarHBondContact O-CB 3.44Å; A42-A46 PolarHBondContact O-N 3.05Å; I43-A46 PolarHBondContact O-N 3.46Å; A46-I49 PolarHBondContact O-N 3.11Å; A46-L50 WeakPolarHBondContact O-CG 3.36Å; A46-L50 PolarHBondContact O-N 3.27Å; A46-I59 HydrophobicContact CB-CG2 3.7Å; A46-I59 WeakPolarHBondContact O-CG2 3.49Å; A46-L63 HydrophobicContact CB-CD2 3.67Å; A46-L63 HydrophobicContact CB-CG 4.3Å
47	K	97.1	Very high	96.4	Very high	108 Å²	108	65.1 Å²	65.1	47%	0.47	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-45.1	175.3	-71.4	172	-177.3	174.4	0	112.3	I43 N44 L45 I49 L50 E51	I43-K47 HydrophobicContact CG2-CD 4.38Å; I43-K47 WeakPolarHBondContact O-CG 3.1Å; I43-K47 PolarHBondContact O-N 3.42Å; I43-K47 VanDerWaalsContact O-N 3.11Å; N44-K47 PolarHBondContact O-N 2.88Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.13Å; K47-I49 VanDerWaalsContact C-N 3.34Å; K47-I49 PolarHBondContact O-N 2.76Å; K47-L50 PolarHBondContact O-N 2.94Å; K47-L50 VanDerWaalsContact O-N 3.17Å; K47-E51 PolarHBondContact O-N 3.49Å; K47-E51 VanDerWaalsContact O-N 3.13Å
48	Q	96.2	Very high	96.5	Very high	82 Å²	82	66.8 Å²	66.8	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-40.9	176.4	-74.8	171.9	74.3	0	0	112.2	L26 N44 L45 L50 E51	L26-Q48 HydrophobicContact CD1-CB 4.38Å; N44-Q48 WeakPolarHBondContact O-CG 3.33Å; N44-Q48 PolarHBondContact O-N 3.11Å; N44-Q48 VanDerWaalsContact O-N 3.16Å; N44-Q48 PolarHBondContact O-NE2 3.4Å; L45-Q48 PolarHBondContact O-N 3.17Å; L45-Q48 VanDerWaalsContact O-N 3.15Å; Q48-L50 VanDerWaalsContact C-N 3.31Å; Q48-L50 PolarHBondContact O-N 3.33Å; Q48-E51 WeakPolarHBondContact O-CB 3.33Å; Q48-E51 PolarHBondContact O-N 3.23Å
49	I	96	Very high	96.5	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-39.3	175.6	-65.1	162.6	0	0	0	110.7	L26 F27 F30 L45 A46 K47 E51 S52 E53 I59	L26-I49 HydrophobicContact CB-CD1 4.38Å; L26-I49 HydrophobicContact CB-CG1 3.89Å; F27-I49 HydrophobicContact CB-CD1 4.28Å; F27-I49 HydrophobicContact CD2-CD1 4.36Å; F30-I49 HydrophobicContact CB-CD1 4.02Å; F30-I49 HydrophobicContact CG-CD1 4.35Å; L45-I49 VanDerWaalsContact O-CG1 3.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.37Å; L45-I49 PolarHBondContact O-N 3.31Å; A46-I49 PolarHBondContact O-N 3.11Å; K47-I49 VanDerWaalsContact C-N 3.34Å; K47-I49 PolarHBondContact O-N 2.76Å; I49-E51 VanDerWaalsContact C-N 3.28Å; I49-E51 PolarHBondContact O-N 3.35Å; I49-S52 PolarHBondContact O-N 2.93Å; I49-S52 PolarHBondContact O-OG 3.48Å; I49-S52 VanDerWaalsContact O-OG 3.07Å; I49-E53 PolarHBondContact O-N 2.83Å; I49-I59 HydrophobicContact CD1-CD1 4.27Å; I49-I59 HydrophobicContact CG2-CG1 4.03Å
50	L	96.5	Very high	96.4	Very high	32 Å²	32	67.2 Å²	67.2	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-71.2	-20.1	178.4	-70.5	172.1	0	0	0	113.9	A46 K47 Q48 S52 P54 N56 I59 Q60 L63	A46-L50 WeakPolarHBondContact O-CG 3.36Å; A46-L50 PolarHBondContact O-N 3.27Å; K47-L50 PolarHBondContact O-N 2.94Å; K47-L50 VanDerWaalsContact O-N 3.17Å; Q48-L50 VanDerWaalsContact C-N 3.31Å; Q48-L50 PolarHBondContact O-N 3.33Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-P54 WeakPolarHBondContact O-CA 3.28Å; L50-N56 HydrophobicContact CD2-CB 4.31Å; L50-I59 HydrophobicContact CD1-CG2 4.02Å; L50-I59 HydrophobicContact CD2-CB 4.14Å; L50-I59 HydrophobicContact CD2-CG2 4.03Å; L50-I59 HydrophobicContact CG-CB 4.38Å; L50-I59 HydrophobicContact CG-CG2 3.72Å; L50-Q60 HydrophobicContact CD1-CG 4.22Å; L50-Q60 HydrophobicContact CD2-CG 3.69Å; L50-L63 HydrophobicContact CD1-CD1 3.64Å
51	E	95.6	Very high	96.5	Very high	163 Å²	163	64 Å²	64	76%	0.762	33%	0.331	S	S	*	.	H	α-helix	trans	-66.6	-36.1	172.7	-70.7	172.1	-169.4	0	0	111.4	K47 Q48 I49	K47-E51 PolarHBondContact O-N 3.49Å; K47-E51 VanDerWaalsContact O-N 3.13Å; Q48-E51 WeakPolarHBondContact O-CB 3.33Å; Q48-E51 PolarHBondContact O-N 3.23Å; I49-E51 VanDerWaalsContact C-N 3.28Å; I49-E51 PolarHBondContact O-N 3.35Å
52	S	93.5	Very high	96.4	Very high	58 Å²	58	64.5 Å²	64.5	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-93	-30.9	177	63.8	0	0	0	0	113.3	N23 I49 L50 P54	N23-S52 PolarHBondContact ND2-OG 2.93Å; N23-S52 WeakPolarHBondContact OD1-CB 3.33Å; N23-S52 PolarHBondContact OD1-OG 2.7Å; I49-S52 PolarHBondContact O-N 2.93Å; I49-S52 PolarHBondContact O-OG 3.48Å; I49-S52 VanDerWaalsContact O-OG 3.07Å; L50-S52 VanDerWaalsContact C-N 3.32Å; S52-P54 VanDerWaalsContact C-CD 3.49Å; S52-P54 WeakPolarHBondContact O-CD 3.41Å
53	E	94.2	Very high	96.3	Very high	75 Å²	75	66 Å²	66	35%	0.35	34%	0.34	S	S	.	.			trans	-125.1	68.8	-177.9	-63	179.3	-169.6	0	0	112.1	N23 I49 N55 N56	N23-E53 WeakPolarHBondContact ND2-CG 3.34Å; N23-E53 PolarHBondContact ND2-OE1 3.15Å; I49-E53 PolarHBondContact O-N 2.83Å; E53-N55 PolarHBondContact O-N 3.37Å; E53-N56 HydrophobicContact CB-CB 4.01Å; E53-N56 VanDerWaalsContact O-CB 3.27Å; E53-N56 WeakPolarHBondContact O-CB 3.48Å; E53-N56 PolarHBondContact O-N 3.03Å; E53-N56 PolarHBondContact OE2-ND2 3.46Å
54	P	95.2	Very high	96.3	Very high	75 Å²	75	69.7 Å²	69.7	49%	0.487	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19	-173.8	24.8	-35.5	0	0	0	114.1	L50 S52 Q60	L50-P54 WeakPolarHBondContact O-CA 3.28Å; S52-P54 VanDerWaalsContact C-CD 3.49Å; S52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-Q60 PolarHBondContact O-NE2 3.39Å
55	N	95.6	Very high	96.3	Very high	152 Å²	152	71.6 Å²	71.6	81%	0.813	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	10.1	179	-62.9	-39.2	0	0	0	113.3	E53 S57	E53-N55 PolarHBondContact O-N 3.37Å; N55-S57 VanDerWaalsContact C-N 3.34Å; N55-S57 PolarHBondContact O-N 3.36Å
56	N	94.8	Very high	96.3	Very high	30 Å²	30	71.5 Å²	71.5	16%	0.16	37%	0.374	C	S	.	.			trans	-75.3	85.8	178.4	-168.1	-32.8	0	0	0	110.5	L50 E53 Q58 I59 Q60	L50-N56 HydrophobicContact CD2-CB 4.31Å; E53-N56 HydrophobicContact CB-CB 4.01Å; E53-N56 VanDerWaalsContact O-CB 3.27Å; E53-N56 WeakPolarHBondContact O-CB 3.48Å; E53-N56 PolarHBondContact O-N 3.03Å; E53-N56 PolarHBondContact OE2-ND2 3.46Å; N56-Q58 PolarHBondContact O-N 3.5Å; N56-Q58 PolarHBondContact OD1-N 3.27Å; N56-I59 HydrophobicContact CB-CB 4.42Å; N56-I59 HydrophobicContact CB-CG1 4.41Å; N56-I59 PolarHBondContact O-N 2.9Å; N56-I59 PolarHBondContact OD1-N 3.14Å; N56-Q60 WeakPolarHBondContact O-CG 3.48Å; N56-Q60 PolarHBondContact O-N 3.29Å; N56-Q60 VanDerWaalsContact O-N 3.14Å
57	S	96.8	Very high	96.3	Very high	70 Å²	70	75.6 Å²	75.6	49%	0.49	40%	0.396	S	S	.	.	H	α-helix	trans	-54.8	-36.6	179.9	49	0	0	0	0	112.9	N55 I59 Q60 D61	N55-S57 VanDerWaalsContact C-N 3.34Å; N55-S57 PolarHBondContact O-N 3.36Å; S57-I59 PolarHBondContact O-N 3.16Å; S57-Q60 WeakPolarHBondContact O-CB 3.47Å; S57-Q60 PolarHBondContact O-N 3.25Å; S57-D61 WeakPolarHBondContact O-CB 3.3Å; S57-D61 PolarHBondContact O-N 3.46Å
58	Q	95.7	Very high	96.3	Very high	132 Å²	132	75.4 Å²	75.4	62%	0.617	40%	0.397	S	S	*	.	H	α-helix	trans	-61.8	-48.8	-180	-58.3	-176.2	-69.8	0	0	111.2	N56 Q60 D61 F62	N56-Q58 PolarHBondContact O-N 3.5Å; N56-Q58 PolarHBondContact OD1-N 3.27Å; Q58-Q60 VanDerWaalsContact C-N 3.32Å; Q58-Q60 PolarHBondContact O-N 3.37Å; Q58-D61 PolarHBondContact O-N 3.31Å; Q58-F62 WeakPolarHBondContact O-CD2 3.43Å; Q58-F62 PolarHBondContact O-N 3.15Å; Q58-F62 VanDerWaalsContact O-N 3.14Å
59	I	96.5	Very high	96.2	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-36.7	178.3	-62.4	-64.9	0	0	0	111.4	F27 F30 A46 I49 L50 N56 S57 D61 F62 L63	F27-I59 HydrophobicContact CD2-CD1 4.08Å; F27-I59 HydrophobicContact CE2-CD1 4.01Å; F30-I59 HydrophobicContact CD1-CD1 4.09Å; F30-I59 HydrophobicContact CE1-CD1 3.8Å; F30-I59 HydrophobicContact CZ-CD1 4.15Å; A46-I59 HydrophobicContact CB-CG2 3.7Å; A46-I59 WeakPolarHBondContact O-CG2 3.49Å; I49-I59 HydrophobicContact CD1-CD1 4.27Å; I49-I59 HydrophobicContact CG2-CG1 4.03Å; L50-I59 HydrophobicContact CD1-CG2 4.02Å; L50-I59 HydrophobicContact CD2-CB 4.14Å; L50-I59 HydrophobicContact CD2-CG2 4.03Å; L50-I59 HydrophobicContact CG-CB 4.38Å; L50-I59 HydrophobicContact CG-CG2 3.72Å; N56-I59 HydrophobicContact CB-CB 4.42Å; N56-I59 HydrophobicContact CB-CG1 4.41Å; N56-I59 PolarHBondContact O-N 2.9Å; N56-I59 PolarHBondContact OD1-N 3.14Å; S57-I59 PolarHBondContact O-N 3.16Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 2.71Å; I59-F62 PolarHBondContact O-N 2.97Å; I59-L63 PolarHBondContact O-N 3.18Å
60	Q	97.3	Very high	96.2	Very high	93 Å²	93	73.9 Å²	73.9	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-43.8	174.2	-67.3	-179.4	5.3	0	0	111.7	L50 P54 N56 S57 Q58 F62 L63 P64	L50-Q60 HydrophobicContact CD1-CG 4.22Å; L50-Q60 HydrophobicContact CD2-CG 3.69Å; P54-Q60 PolarHBondContact O-NE2 3.39Å; N56-Q60 WeakPolarHBondContact O-CG 3.48Å; N56-Q60 PolarHBondContact O-N 3.29Å; N56-Q60 VanDerWaalsContact O-N 3.14Å; S57-Q60 WeakPolarHBondContact O-CB 3.47Å; S57-Q60 PolarHBondContact O-N 3.25Å; Q58-Q60 VanDerWaalsContact C-N 3.32Å; Q58-Q60 PolarHBondContact O-N 3.37Å; Q60-F62 VanDerWaalsContact C-N 3.29Å; Q60-F62 PolarHBondContact O-N 2.74Å; Q60-L63 PolarHBondContact O-N 2.74Å; Q60-P64 VanDerWaalsContact O-CD 3.25Å; Q60-P64 WeakPolarHBondContact O-CD 3.25Å
61	D	97.7	Very high	96.2	Very high	112 Å²	112	79.5 Å²	79.5	60%	0.599	41%	0.413	S	S	*	.	H	α-helix	trans	-66.9	-29	179.7	-67.9	-19.2	0	0	0	112.5	S57 Q58 I59 P64	S57-D61 WeakPolarHBondContact O-CB 3.3Å; S57-D61 PolarHBondContact O-N 3.46Å; Q58-D61 PolarHBondContact O-N 3.31Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 2.71Å; D61-P64 WeakPolarHBondContact O-CD 3.44Å
62	F	96.4	Very high	96.1	Very high	82 Å²	82	74.4 Å²	74.4	36%	0.36	39%	0.39	S	S	.	.	H	α-helix	trans	-73.4	-28.5	176.2	-85.1	-70.6	0	0	0	113.7	F30 Q58 I59 Q60 L65 L66	F30-F62 HydrophobicContact CZ-CB 4.15Å; F30-F62 HydrophobicContact CZ-CD2 4.35Å; F30-F62 HydrophobicContact CZ-CG 4.16Å; Q58-F62 WeakPolarHBondContact O-CD2 3.43Å; Q58-F62 PolarHBondContact O-N 3.15Å; Q58-F62 VanDerWaalsContact O-N 3.14Å; I59-F62 PolarHBondContact O-N 2.97Å; Q60-F62 VanDerWaalsContact C-N 3.29Å; Q60-F62 PolarHBondContact O-N 2.74Å; F62-L65 HydrophobicContact CD1-CD1 4.41Å; F62-L65 PolarHBondContact O-N 2.98Å; F62-L65 VanDerWaalsContact O-N 3.15Å; F62-L66 HydrophobicContact CB-CD1 4.18Å; F62-L66 VanDerWaalsContact O-CG 3.3Å; F62-L66 WeakPolarHBondContact O-CG 3.43Å; F62-L66 PolarHBondContact O-N 2.92Å
63	L	96.9	Very high	96	Very high	33 Å²	33	76.2 Å²	76.2	17%	0.173	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-48.1	-174.4	-80.8	177.2	0	0	0	113.3	I43 A46 L50 I59 Q60 L65 L66 N67	I43-L63 HydrophobicContact CG2-CD2 4.33Å; A46-L63 HydrophobicContact CB-CD2 3.67Å; A46-L63 HydrophobicContact CB-CG 4.3Å; L50-L63 HydrophobicContact CD1-CD1 3.64Å; I59-L63 PolarHBondContact O-N 3.18Å; Q60-L63 PolarHBondContact O-N 2.74Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 PolarHBondContact O-N 3.24Å; L63-L66 PolarHBondContact O-N 3.35Å; L63-N67 PolarHBondContact O-N 3.45Å; L63-N67 PolarHBondContact O-ND2 3.16Å
64	P	97.5	Very high	95.9	Very high	86 Å²	86	77.7 Å²	77.7	56%	0.558	40%	0.404	S	S	*	.	H	α-helix	trans	-58	-43	174.8	-25.4	34.5	0	0	0	112.8	Q60 D61 L66 N67 E68	Q60-P64 VanDerWaalsContact O-CD 3.25Å; Q60-P64 WeakPolarHBondContact O-CD 3.25Å; D61-P64 WeakPolarHBondContact O-CD 3.44Å; P64-L66 PolarHBondContact O-N 3.34Å; P64-N67 PolarHBondContact O-N 3.47Å; P64-E68 PolarHBondContact O-N 2.88Å
65	L	97.4	Very high	95.7	Very high	109 Å²	109	76.9 Å²	76.9	57%	0.571	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-39.6	-178.8	-57.9	177.5	0	0	0	111.9	F62 L63 E68 A69	F62-L65 HydrophobicContact CD1-CD1 4.41Å; F62-L65 PolarHBondContact O-N 2.98Å; F62-L65 VanDerWaalsContact O-N 3.15Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 PolarHBondContact O-N 3.24Å; L65-E68 PolarHBondContact O-N 3.46Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.41Å
66	L	97.6	Very high	95.4	Very high	6 Å²	6	71.2 Å²	71.2	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-71.3	-38.5	178.8	-68.2	168.4	0	0	0	112.5	F30 V34 F39 A42 I43 F62 L63 P64 E68 A69 D70	F30-L66 HydrophobicContact CE2-CD1 3.59Å; F30-L66 HydrophobicContact CZ-CD1 4.06Å; V34-L66 HydrophobicContact CG2-CD2 3.96Å; F39-L66 HydrophobicContact CD1-CD2 3.92Å; A42-L66 HydrophobicContact CB-CD1 4.11Å; A42-L66 HydrophobicContact CB-CD2 4.04Å; I43-L66 HydrophobicContact CD1-CB 4.21Å; I43-L66 HydrophobicContact CG1-CB 3.63Å; I43-L66 HydrophobicContact CG1-CD1 4.47Å; F62-L66 HydrophobicContact CB-CD1 4.18Å; F62-L66 VanDerWaalsContact O-CG 3.3Å; F62-L66 WeakPolarHBondContact O-CG 3.43Å; F62-L66 PolarHBondContact O-N 2.92Å; L63-L66 PolarHBondContact O-N 3.35Å; P64-L66 PolarHBondContact O-N 3.34Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-A69 PolarHBondContact O-N 3.06Å; L66-D70 WeakPolarHBondContact O-CB 3.43Å; L66-D70 PolarHBondContact O-N 3.41Å
67	N	97.2	Very high	94.9	Very high	86 Å²	86	74.3 Å²	74.3	46%	0.46	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-42.7	174.4	-74.3	-64.4	0	0	0	111	L63 P64 D70 Y71	L63-N67 PolarHBondContact O-N 3.45Å; L63-N67 PolarHBondContact O-ND2 3.16Å; P64-N67 PolarHBondContact O-N 3.47Å; N67-D70 PolarHBondContact O-N 2.85Å; N67-Y71 WeakPolarHBondContact O-CB 3.21Å; N67-Y71 PolarHBondContact O-N 3.2Å
68	E	96.9	Very high	93.6	Very high	105 Å²	105	74.9 Å²	74.9	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-42.9	175.2	-174.7	58.3	-157.3	0	0	111.5	P64 L65 L66 Y71 M72	P64-E68 PolarHBondContact O-N 2.88Å; L65-E68 PolarHBondContact O-N 3.46Å; L66-E68 VanDerWaalsContact C-N 3.33Å; E68-Y71 PolarHBondContact O-N 3.18Å; E68-M72 HydrophobicContact CG-CE 4.13Å; E68-M72 WeakPolarHBondContact O-CB 3.46Å; E68-M72 WeakPolarHBondContact O-CG 3.42Å; E68-M72 PolarHBondContact O-N 3.48Å
69	A	95.7	Very high	92.1	Very high	12 Å²	12	76.1 Å²	76.1	10%	0.099	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-40.4	176.5	0	0	0	0	0	112.8	F39 L65 L66 M72 K73 F78	F39-A69 HydrophobicContact CD1-CB 3.84Å; F39-A69 HydrophobicContact CD2-CB 3.71Å; F39-A69 WeakPolarHBondContact CD2-O 3.28Å; F39-A69 HydrophobicContact CE1-CB 3.86Å; F39-A69 HydrophobicContact CE2-CB 3.72Å; F39-A69 HydrophobicContact CG-CB 3.77Å; F39-A69 HydrophobicContact CZ-CB 3.8Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.41Å; L66-A69 PolarHBondContact O-N 3.06Å; A69-M72 PolarHBondContact O-N 3.4Å; A69-K73 VanDerWaalsContact O-CB 3.3Å; A69-K73 WeakPolarHBondContact O-CB 3.3Å; A69-K73 PolarHBondContact O-N 3.47Å; A69-F78 HydrophobicContact CB-CZ 4.36Å; A69-F78 VanDerWaalsContact O-CE2 3.28Å; A69-F78 WeakPolarHBondContact O-CE2 3.42Å
70	D	96.2	Very high	90.2	Very high	40 Å²	40	79.4 Å²	79.4	21%	0.214	42%	0.424	C	S	.	.	H	α-helix	trans	-64	-42	174.6	-165.8	62	0	0	0	111.3	F39 I43 L66 N67 K73 T74	F39-D70 HydrophobicContact CB-CB 3.85Å; I43-D70 HydrophobicContact CD1-CB 4.19Å; L66-D70 WeakPolarHBondContact O-CB 3.43Å; L66-D70 PolarHBondContact O-N 3.41Å; N67-D70 PolarHBondContact O-N 2.85Å; D70-K73 PolarHBondContact O-N 3.35Å; D70-T74 WeakPolarHBondContact O-CG2 3.45Å; D70-T74 PolarHBondContact O-N 3.5Å; D70-T74 PolarHBondContact O-OG1 3.07Å; D70-T74 VanDerWaalsContact O-OG1 3.13Å
71	Y	95.4	Very high	88.3	Confident	149 Å²	149	82 Å²	82	58%	0.584	45%	0.445	S	S	*	.	H	α-helix	trans	-60.7	-51	174.2	177.8	-105	0	0	0	112	N67 E68 K73 T74 A75	N67-Y71 WeakPolarHBondContact O-CB 3.21Å; N67-Y71 PolarHBondContact O-N 3.2Å; E68-Y71 PolarHBondContact O-N 3.18Å; Y71-K73 VanDerWaalsContact C-N 3.27Å; Y71-K73 PolarHBondContact O-N 2.92Å; Y71-T74 PolarHBondContact O-N 2.97Å; Y71-T74 PolarHBondContact O-OG1 3.37Å; Y71-A75 WeakPolarHBondContact O-CB 3.33Å; Y71-A75 PolarHBondContact O-N 2.77Å
72	M	94	Very high	86	Confident	57 Å²	57	81.7 Å²	81.7	28%	0.281	45%	0.448	S	S	.	.	H	α-helix	trans	-60.3	-36	176.7	-76.4	-170.3	-61	0	0	112.3	E68 A69 A75 G76 V77 F78	E68-M72 HydrophobicContact CG-CE 4.13Å; E68-M72 WeakPolarHBondContact O-CB 3.46Å; E68-M72 WeakPolarHBondContact O-CG 3.42Å; E68-M72 PolarHBondContact O-N 3.48Å; A69-M72 PolarHBondContact O-N 3.4Å; M72-A75 PolarHBondContact O-N 2.92Å; M72-G76 PolarHBondContact O-N 3Å; M72-V77 HydrophobicContact CB-CB 4.1Å; M72-V77 HydrophobicContact CB-CG2 4.4Å; M72-V77 WeakPolarHBondContact O-CB 3.39Å; M72-V77 PolarHBondContact O-N 3.38Å; M72-F78 HydrophobicContact CB-CD2 3.99Å; M72-F78 HydrophobicContact CB-CE2 3.5Å; M72-F78 HydrophobicContact CB-CZ 4.44Å; M72-F78 HydrophobicContact CE-CE2 4.12Å; M72-F78 HydrophobicContact CE-CZ 4.01Å
73	K	91.8	Very high	83.6	Confident	96 Å²	96	84 Å²	84	42%	0.417	46%	0.464	S	S	.	.	H	α-helix	trans	-65.8	-44.2	176.3	-174.4	-178.4	177.2	-174.8	0	111.7	K37 F39 A69 D70 Y71 G76 F78	K37-K73 PolarHBondContact O-NZ 3.48Å; F39-K73 HydrophobicContact CD2-CB 4.2Å; F39-K73 HydrophobicContact CD2-CD 3.95Å; F39-K73 HydrophobicContact CE2-CB 4.33Å; F39-K73 HydrophobicContact CE2-CD 4.21Å; A69-K73 VanDerWaalsContact O-CB 3.3Å; A69-K73 WeakPolarHBondContact O-CB 3.3Å; A69-K73 PolarHBondContact O-N 3.47Å; D70-K73 PolarHBondContact O-N 3.35Å; Y71-K73 VanDerWaalsContact C-N 3.27Å; Y71-K73 PolarHBondContact O-N 2.92Å; K73-G76 PolarHBondContact O-N 3.32Å; K73-F78 VanDerWaalsContact CA-CD2 3.49Å; K73-F78 HydrophobicContact CB-CD2 3.81Å; K73-F78 HydrophobicContact CB-CE2 4.17Å
74	T	90.5	Very high	81.2	Confident	105 Å²	105	88.9 Å²	88.9	64%	0.644	49%	0.49	S	S	*	.	H	α-helix	trans	-72.2	-30.2	177.9	56.3	0	0	0	0	112.9	D70 Y71 G76	D70-T74 WeakPolarHBondContact O-CG2 3.45Å; D70-T74 PolarHBondContact O-N 3.5Å; D70-T74 PolarHBondContact O-OG1 3.07Å; D70-T74 VanDerWaalsContact O-OG1 3.13Å; Y71-T74 PolarHBondContact O-N 2.97Å; Y71-T74 PolarHBondContact O-OG1 3.37Å; T74-G76 PolarHBondContact O-N 2.92Å
75	A	92.7	Very high	78.8	Confident	59 Å²	59	89.5 Å²	89.5	49%	0.488	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.7	172.5	0	0	0	0	0	113.8	Y71 M72 V77	Y71-A75 WeakPolarHBondContact O-CB 3.33Å; Y71-A75 PolarHBondContact O-N 2.77Å; M72-A75 PolarHBondContact O-N 2.92Å; A75-V77 HydrophobicContact CB-CG2 4.16Å
76	G	88.2	Confident	76.8	Confident	32 Å²	32	90.2 Å²	90.2	33%	0.33	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	10.8	179.3	0	0	0	0	0	114.7	M72 K73 T74 F78 H79	M72-G76 PolarHBondContact O-N 3Å; K73-G76 PolarHBondContact O-N 3.32Å; T74-G76 PolarHBondContact O-N 2.92Å; G76-F78 VanDerWaalsContact C-N 3.28Å; G76-F78 PolarHBondContact O-N 3.27Å; G76-H79 PolarHBondContact O-CD2 2.87Å; G76-H79 PolarHBondContact O-CE1 3.32Å; G76-H79 PolarHBondContact O-NE2 3.09Å; G76-H79 VanDerWaalsContact O-NE2 3.09Å
77	V	83.9	Confident	74.6	Confident	95 Å²	95	96 Å²	96	58%	0.576	54%	0.537	S	S	*	.			trans	-68	-29.5	-178.6	-178.5	0	0	0	0	111.8	M72 A75 H79	M72-V77 HydrophobicContact CB-CB 4.1Å; M72-V77 HydrophobicContact CB-CG2 4.4Å; M72-V77 WeakPolarHBondContact O-CB 3.39Å; M72-V77 PolarHBondContact O-N 3.38Å; A75-V77 HydrophobicContact CB-CG2 4.16Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 2.99Å
78	F	70.4	Confident	72.4	Confident	83 Å²	83	99 Å²	99	36%	0.364	55%	0.548	S	S	.	.			trans	-80.5	75.2	173.3	-68.5	-88	0	0	0	111.1	F39 A69 M72 K73 G76 S80	F39-F78 AromaticContact CE2-CE2 3.98Å; F39-F78 HydrophobicContact CE2-CE2 3.98Å; F39-F78 AromaticContact CE2-CZ 3.94Å; F39-F78 HydrophobicContact CE2-CZ 3.94Å; F39-F78 HydrophobicContact CZ-CE1 4.49Å; F39-F78 HydrophobicContact CZ-CZ 4.12Å; A69-F78 HydrophobicContact CB-CZ 4.36Å; A69-F78 VanDerWaalsContact O-CE2 3.28Å; A69-F78 WeakPolarHBondContact O-CE2 3.42Å; M72-F78 HydrophobicContact CB-CD2 3.99Å; M72-F78 HydrophobicContact CB-CE2 3.5Å; M72-F78 HydrophobicContact CB-CZ 4.44Å; M72-F78 HydrophobicContact CE-CE2 4.12Å; M72-F78 HydrophobicContact CE-CZ 4.01Å; K73-F78 VanDerWaalsContact CA-CD2 3.49Å; K73-F78 HydrophobicContact CB-CD2 3.81Å; K73-F78 HydrophobicContact CB-CE2 4.17Å; G76-F78 VanDerWaalsContact C-N 3.28Å; G76-F78 PolarHBondContact O-N 3.27Å; F78-S80 PolarHBondContact O-N 3.36Å
79	H	64.5	Low	70.5	Confident	157 Å²	157	99.7 Å²	99.7	73%	0.727	56%	0.564	S	S	*	*			trans	-73.9	112.3	158.8	-65	-63.2	0	0	0	107.7	G76 V77 V81	G76-H79 PolarHBondContact O-CD2 2.87Å; G76-H79 PolarHBondContact O-CE1 3.32Å; G76-H79 PolarHBondContact O-NE2 3.09Å; G76-H79 VanDerWaalsContact O-NE2 3.09Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 2.99Å; H79-V81 PolarHBondContact O-N 3.37Å
80	S	56.5	Low	68.8	Low	71 Å²	71	106.7 Å²	106.7	50%	0.497	60%	0.595	S	S	.	*			trans	-57.9	111.6	173.6	-167.9	0	0	0	0	108	F78 T82	F78-S80 PolarHBondContact O-N 3.36Å; S80-T82 WeakPolarHBondContact CB-OG1 3.33Å; S80-T82 PolarHBondContact O-N 3.38Å; S80-T82 WeakPolarHBondContact OG-CG2 3.46Å; S80-T82 PolarHBondContact OG-OG1 3.26Å
81	V	56.9	Low	66.4	Low	147 Å²	147	108.2 Å²	108.2	89%	0.891	62%	0.62	S	S	*	*			trans	-69.9	23.1	169.8	-73.2	0	0	0	0	112.4	H79 D83	H79-V81 PolarHBondContact O-N 3.37Å; V81-D83 PolarHBondContact O-N 3.28Å
82	T	48.6	Very low	64.7	Low	105 Å²	105	107.6 Å²	107.6	64%	0.644	63%	0.631	S	S	*	*			trans	-76.1	81.8	162.5	52	0	0	0	0	107.2	S80 D84	S80-T82 WeakPolarHBondContact CB-OG1 3.33Å; S80-T82 PolarHBondContact O-N 3.38Å; S80-T82 WeakPolarHBondContact OG-CG2 3.46Å; S80-T82 PolarHBondContact OG-OG1 3.26Å; T82-D84 PolarHBondContact O-N 2.91Å
83	D	46.2	Very low	62.9	Low	131 Å²	131	112.8 Å²	112.8	70%	0.701	66%	0.66	S	S	*	*				29.6	70.1	126	-166.8	31.5	0	0	0	114.3	V81 S85	V81-D83 PolarHBondContact O-N 3.28Å; D83-S85 VanDerWaalsContact C-N 3.34Å; D83-S85 WeakPolarHBondContact OD1-CB 3.38Å; D83-S85 PolarHBondContact OD1-OG 3.34Å
84	D	46.5	Very low	61.4	Low	136 Å²	136	115.8 Å²	115.8	73%	0.727	68%	0.681	S	S	*	*			trans	-104.4	71	148.7	-149.3	-0.5	0	0	0	105.8	T82 D86	T82-D84 PolarHBondContact O-N 2.91Å; D84-D86 PolarHBondContact O-N 3.49Å
85	S	47.4	Very low	59.8	Low	99 Å²	99	116.3 Å²	116.3	69%	0.692	68%	0.68	S	S	*	*			trans	-68.5	68	165.1	-64.4	0	0	0	0	108.8	D83	D83-S85 VanDerWaalsContact C-N 3.34Å; D83-S85 WeakPolarHBondContact OD1-CB 3.38Å; D83-S85 PolarHBondContact OD1-OG 3.34Å
86	D	55.2	Low	58	Low	124 Å²	124	118.1 Å²	118.1	66%	0.663	68%	0.681	S	S	*	*			trans	-171.9	78	163.8	-112.7	-14.2	0	0	0	110.4	D84	D84-D86 PolarHBondContact O-N 3.49Å
87	T	51.5	Low	56.5	Low	127 Å²	127	122 Å²	122	78%	0.779	70%	0.703	S	S	*	*			trans	-133.8	95.5	154.4	-50.9	0	0	0	0	108	S89	T87-S89 PolarHBondContact O-N 2.89Å; T87-S89 VanDerWaalsContact O-N 3.07Å
88	E	52.5	Low	55	Low	148 Å²	148	127 Å²	127	69%	0.692	71%	0.713	S	S	*	*			trans	-34.3	108.6	169.1	-60.9	-72.6	88.2	0	0	110.7	E90	E88-E90 VanDerWaalsContact C-N 3.29Å; E88-E90 PolarHBondContact O-N 2.87Å
89	S	56.2	Low	54.7	Low	120 Å²	120	130.6 Å²	130.6	84%	0.839	74%	0.736	S	S	*	*			trans	-71.5	89.4	171.5	-178.3	0	0	0	0	108.2	T87 G91	T87-S89 PolarHBondContact O-N 2.89Å; T87-S89 VanDerWaalsContact O-N 3.07Å; S89-G91 PolarHBondContact O-N 3.13Å; S89-G91 VanDerWaalsContact O-N 3.13Å
90	E	59.6	Low	54.3	Low	160 Å²	160	128.8 Å²	128.8	75%	0.748	74%	0.741	S	S	*	*			trans	-67.6	104.5	165.7	-67.9	-68.1	174.1	0	0	108.3	E88 V92	E88-E90 VanDerWaalsContact C-N 3.29Å; E88-E90 PolarHBondContact O-N 2.87Å; E90-V92 PolarHBondContact O-N 3.21Å
91	G	46.6	Very low	54.6	Low	71 Å²	71	131.4 Å²	131.4	73%	0.732	75%	0.754	S	S	*	*			trans	-62.2	120.7	175.2	0	0	0	0	0	111.1	S89	S89-G91 PolarHBondContact O-N 3.13Å; S89-G91 VanDerWaalsContact O-N 3.13Å
92	V	59.1	Low	54.7	Low	137 Å²	137	129.7 Å²	129.7	83%	0.83	75%	0.748	S	S	*	*			trans	-124.9	105.1	160.1	-76.5	0	0	0	0	108.7	E90 D94	E90-V92 PolarHBondContact O-N 3.21Å; V92-D94 PolarHBondContact O-N 2.97Å
93	D	55.3	Low	55.6	Low	166 Å²	166	130.6 Å²	130.6	89%	0.888	75%	0.753	S	S	*	*			trans	-52.6	116.2	162.6	-174	31.5	0	0	0	109.6
94	D	60.4	Low	56.5	Low	159 Å²	159	131.9 Å²	131.9	85%	0.85	76%	0.76	S	S	*	*			trans	-143.6	137	157	-161.6	21	0	0	0	111.3	V92	V92-D94 PolarHBondContact O-N 2.97Å
95	D	57.2	Low	57.2	Low	116 Å²	116	132 Å²	132	62%	0.62	77%	0.766	S	S	*	*			trans	-90	156.2	-157.4	-173.2	10.8	0	0	0	111.2
96	N	55.9	Low	58	Low	97 Å²	97	134.3 Å²	134.3	52%	0.519	77%	0.771	S	S	.	*			trans	58.8	105.9	162.2	-73.4	-57.5	0	0	0	119.6	Y98	N96-Y98 WeakPolarHBondContact OD1-CE2 3.33Å; N96-Y98 PolarHBondContact OD1-OH 3.3Å
97	S	55.6	Low	58.1	Low	113 Å²	113	133.7 Å²	133.7	79%	0.79	78%	0.776	S	S	*	*				-168.4	129.1	109.9	51.1	0	0	0	0	113.4	L99	S97-L99 PolarHBondContact O-N 3.3Å
98	Y	54.1	Low	58.8	Low	199 Å²	199	132.6 Å²	132.6	78%	0.78	77%	0.774	S	S	*	*			trans	-69.8	110.9	176.9	-47.3	-100.1	0	0	0	110.2	N96	N96-Y98 WeakPolarHBondContact OD1-CE2 3.33Å; N96-Y98 PolarHBondContact OD1-OH 3.3Å
99	L	62	Low	59.3	Low	160 Å²	160	131.9 Å²	131.9	84%	0.838	78%	0.775	S	S	*	*			trans	-137	103.6	161.2	-80.7	174.8	0	0	0	110.5	S97 T101	S97-L99 PolarHBondContact O-N 3.3Å; L99-T101 PolarHBondContact O-N 3.07Å
100	S	56.7	Low	59.6	Low	119 Å²	119	132.4 Å²	132.4	83%	0.832	77%	0.768	S	S	*	*			trans	-51.4	121.3	170.5	-54.4	0	0	0	0	111.4
101	T	62.6	Low	59.8	Low	126 Å²	126	133.1 Å²	133.1	77%	0.773	78%	0.776	S	S	*	*			trans	-116.2	99.9	158.7	51	0	0	0	0	107.9	L99 T103	L99-T101 PolarHBondContact O-N 3.07Å; T101-T103 PolarHBondContact O-N 2.94Å
102	S	59.5	Low	60.6	Low	110 Å²	110	136.2 Å²	136.2	77%	0.769	78%	0.776	S	S	*	*			trans	-67.1	120	164.3	-60.1	0	0	0	0	107.6
103	T	66.4	Low	61	Low	124 Å²	124	140 Å²	140	76%	0.761	78%	0.777	S	S	*	*			trans	-116.1	108.9	161.2	44.9	0	0	0	0	107.2	T101 T105	T101-T103 PolarHBondContact O-N 2.94Å; T103-T105 PolarHBondContact O-N 3.13Å
104	D	65.8	Low	61.5	Low	158 Å²	158	137.3 Å²	137.3	85%	0.845	77%	0.766	S	S	*	*			trans	-57.8	123.2	173.6	-72.6	-67.9	0	0	0	109.3
105	T	61.5	Low	61.6	Low	138 Å²	138	134.6 Å²	134.6	85%	0.847	76%	0.76	S	S	*	*			trans	-86.7	104.6	170.6	-34.9	0	0	0	0	106.3	T103	T103-T105 PolarHBondContact O-N 3.13Å
106	D	63.7	Low	62	Low	149 Å²	149	134.1 Å²	134.1	80%	0.797	77%	0.766	S	S	*	*			trans	-112.6	118.2	164.4	-156.8	-4.3	0	0	0	109.4
107	S	58.1	Low	62.2	Low	111 Å²	111	136.8 Å²	136.8	78%	0.776	78%	0.78	S	S	*	*			trans	-112.2	110.2	-174.4	163.3	0	0	0	0	106.6
108	S	65.3	Low	62.2	Low	104 Å²	104	136.3 Å²	136.3	73%	0.727	78%	0.776	S	S	*	*			trans	-166.6	155.6	162.4	49.8	0	0	0	0	108.3
109	D	63.4	Low	62.2	Low	133 Å²	133	133.7 Å²	133.7	71%	0.711	78%	0.776	S	S	*	*			cis	-163.8	157.6	-35.5	-155.5	-11.4	0	0	0	102.1
110	D	62.3	Low	61.7	Low	130 Å²	130	129.9 Å²	129.9	70%	0.695	76%	0.763	S	S	*	*			trans	62	90.8	161.8	-63	-63.8	0	0	0	120	D112	D110-D112 PolarHBondContact O-N 3.31Å
111	L	64.2	Low	61.6	Low	176 Å²	176	133.5 Å²	133.5	92%	0.921	76%	0.76	S	S	*	*			trans	-83.5	89	148.5	-66.3	176.5	0	0	0	109.1	Y113	L111-Y113 PolarHBondContact O-N 3.46Å
112	D	63.2	Low	61.3	Low	136 Å²	136	138.7 Å²	138.7	73%	0.727	77%	0.765	S	S	*	*			trans	-80.6	99.6	168.7	-162.3	9.1	0	0	0	109.9	D110 T114	D110-D112 PolarHBondContact O-N 3.31Å; D112-T114 PolarHBondContact O-N 3.41Å
113	Y	67.1	Low	61.2	Low	217 Å²	217	138.9 Å²	138.9	85%	0.851	77%	0.765	S	S	*	*			trans	-83.5	84.3	-179.7	-149.5	-82	0	0	0	109.3	L111 S115	L111-Y113 PolarHBondContact O-N 3.46Å; Y113-S115 PolarHBondContact O-N 3.32Å
114	T	66.2	Low	60.9	Low	108 Å²	108	143.3 Å²	143.3	66%	0.663	77%	0.768	S	S	*	*			trans	-94.2	95.5	172.7	65.7	0	0	0	0	110.5	D112 S116	D112-T114 PolarHBondContact O-N 3.41Å; T114-S116 PolarHBondContact O-N 3.36Å; T114-S116 VanDerWaalsContact O-N 3.16Å
115	S	62.5	Low	60.6	Low	103 Å²	103	144.2 Å²	144.2	72%	0.72	76%	0.764	S	S	*	*			trans	-71.5	100.1	165.5	-176.3	0	0	0	0	108.2	Y113	Y113-S115 PolarHBondContact O-N 3.32Å
116	S	66.6	Low	60.6	Low	105 Å²	105	146 Å²	146	73%	0.734	76%	0.76	S	S	*	*			trans	-98.7	83.9	174.9	-162.1	0	0	0	0	109.1	T114 S118	T114-S116 PolarHBondContact O-N 3.36Å; T114-S116 VanDerWaalsContact O-N 3.16Å; S116-S118 PolarHBondContact O-N 3.43Å
117	D	59.3	Low	60.2	Low	154 Å²	154	145.1 Å²	145.1	82%	0.824	76%	0.76	S	S	*	*			trans	-88	95.8	168	-136.2	-15.8	0	0	0	107.5	D119	D117-D119 PolarHBondContact O-N 3.33Å
118	S	54.7	Low	60.5	Low	102 Å²	102	148.3 Å²	148.3	71%	0.713	76%	0.762	S	S	*	*			trans	-91.6	89.3	174.9	-80.5	0	0	0	0	109.7	S116	S116-S118 PolarHBondContact O-N 3.43Å
119	D	54.6	Low	60.4	Low	145 Å²	145	146.5 Å²	146.5	78%	0.775	76%	0.759	S	S	*	*			trans	-152.9	99.7	154.5	-113.6	-34.1	0	0	0	113.3	D117	D117-D119 PolarHBondContact O-N 3.33Å
120	S	51.3	Low	60.2	Low	79 Å²	79	149.8 Å²	149.8	55%	0.552	79%	0.793	S	S	*	*			trans	69.7	157.8	138	-163.2	0	0	0	0	120.2
121	Y	55.3	Low	60.1	Low	196 Å²	196	150.8 Å²	150.8	77%	0.769	80%	0.798	S	S	*	*			trans	85.5	83.9	168.5	-38.2	-68.5	0	0	0	118.3
122	R	56.2	Low	59.9	Low	235 Å²	235	149.4 Å²	149.4	89%	0.887	79%	0.791	S	S	*	*				38.8	112.7	124.8	-59.5	178.5	-172	-141.8	0.9	116.7
123	C	58	Low	59.7	Low	114 Å²	114	150.2 Å²	150.2	77%	0.77	80%	0.795	S	S	*	*				-177	109.3	119.4	-93.8	0	0	0	0	113.2
124	R	59	Low	59.3	Low	216 Å²	216	146.2 Å²	146.2	82%	0.815	79%	0.791	S	S	*	*			trans	45.1	121.7	130.6	-55.4	-163.1	-154.3	-159.3	8.6	119.8
125	K	60.1	Low	58.9	Low	178 Å²	178	148.6 Å²	148.6	77%	0.774	80%	0.8	S	S	*	*				80.3	123.1	121.4	-157.6	163.1	-176.3	170.7	0	113.3
126	K	60.6	Low	58.6	Low	176 Å²	176	151.7 Å²	151.7	77%	0.765	81%	0.805	S	S	*	*				-176.8	144.5	51.7	-154.3	171.4	176.9	-172	0	108.1
127	V	57.3	Low	58.1	Low	129 Å²	129	155 Å²	155	78%	0.782	81%	0.81	S	S	*	*			trans	-81.7	140.6	-179.9	-170.4	0	0	0	0	110.9
128	H	62.8	Low	58	Low	179 Å²	179	155.1 Å²	155.1	83%	0.829	81%	0.809	S	S	*	*			trans	-150.3	124.7	147.8	-84.6	70.7	0	0	0	104.3
129	G	64.1	Low	58.2	Low	65 Å²	65	159.5 Å²	159.5	67%	0.67	82%	0.817	S	S	*	*			cis	105.4	70.3	15.5	0	0	0	0	0	110.7
130	S	59.8	Low	58.6	Low	202 Å²	202	160.8 Å²	160.8	100%	1.413	82%	0.821	S	S	*	*			trans	168.4	0	139.9	-95	0	0	0	0	110.5

Retrieved 130 of 130 residues in 122.3 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).