A0A077YY41_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YY41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 aa.

						>A0A077YY41_TRITR|A0A077YY41
MIEKDATKLNLPDDCFKTKIDSVCWKANEIRAKYPGVAAPTDTLLTTSDSGEIDTSSNLPGPSRLLPLAFELFILANYDEYKRIQEKIWSIMMAKYNNPDSPPPPPPDEFMQELMDN
					

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	34.9	Very low	33.4	Very low	225 Å²	225	139.2 Å²	139.2	100%	1.108	72%	0.719	S	S	*	*				0	97.3	0	-169.3	169.5	157.7	0	0	106.1
2	I	31.7	Very low	34.3	Very low	148 Å²	148	134.7 Å²	134.7	76%	0.759	71%	0.705	S	S	*	*			trans	-98.1	104.3	-178.9	-61.4	173.6	0	0	0	105.5	K4	I2-K4 HydrophobicContact CG2-CG 4.09Å; I2-K4 PolarHBondContact O-N 3.16Å; I2-K4 VanDerWaalsContact O-N 3.08Å
3	E	29.2	Very low	35	Very low	178 Å²	178	134.5 Å²	134.5	83%	0.832	71%	0.705	S	S	*	*			trans	-67.1	101.2	167.2	-76	-179.9	155.7	0	0	107.5	D5	E3-D5 PolarHBondContact O-N 2.8Å
4	K	33.9	Very low	35.8	Very low	181 Å²	181	132.3 Å²	132.3	79%	0.787	69%	0.694	S	S	*	*			trans	-84.7	107.1	167.3	-78.8	-173.4	177.2	178.1	0	107.6	I2 A6	I2-K4 HydrophobicContact CG2-CG 4.09Å; I2-K4 PolarHBondContact O-N 3.16Å; I2-K4 VanDerWaalsContact O-N 3.08Å; K4-A6 PolarHBondContact O-N 3.15Å
5	D	28.7	Very low	36.1	Very low	104 Å²	104	124.5 Å²	124.5	56%	0.556	66%	0.655	S	S	*	*			trans	-60.2	99.7	173.5	-169.9	3	0	0	0	110.1	E3 T7	E3-D5 PolarHBondContact O-N 2.8Å; D5-T7 VanDerWaalsContact CG-OG1 3.27Å; D5-T7 PolarHBondContact O-N 3.25Å; D5-T7 PolarHBondContact OD1-N 3.31Å; D5-T7 PolarHBondContact OD1-OG1 2.83Å; D5-T7 PolarHBondContact OD2-OG1 3.36Å
6	A	34.7	Very low	36.1	Very low	84 Å²	84	123.9 Å²	123.9	69%	0.694	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-71.7	-1.1	-178.7	0	0	0	0	0	113.3	K4 K8	K4-A6 PolarHBondContact O-N 3.15Å; A6-K8 VanDerWaalsContact C-N 3.27Å; A6-K8 PolarHBondContact O-N 3.27Å
7	T	32.4	Very low	36.4	Very low	116 Å²	116	125.7 Å²	125.7	71%	0.712	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-80.7	1.6	-176.6	62.4	0	0	0	0	114.7	D5	D5-T7 VanDerWaalsContact CG-OG1 3.27Å; D5-T7 PolarHBondContact O-N 3.25Å; D5-T7 PolarHBondContact OD1-N 3.31Å; D5-T7 PolarHBondContact OD1-OG1 2.83Å; D5-T7 PolarHBondContact OD2-OG1 3.36Å
8	K	34.4	Very low	36.4	Very low	171 Å²	171	123.7 Å²	123.7	74%	0.743	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-111.4	10.1	-177.1	-68.9	-173.2	-178.3	176.6	0	115.7	A6 N10	A6-K8 VanDerWaalsContact C-N 3.27Å; A6-K8 PolarHBondContact O-N 3.27Å; K8-N10 PolarHBondContact O-N 3.05Å; K8-N10 VanDerWaalsContact O-N 3.08Å
9	L	32.6	Very low	36.6	Very low	110 Å²	110	128.8 Å²	128.8	58%	0.576	66%	0.659	S	S	*	*			trans	-77.4	92.5	166.4	-94.3	140.3	0	0	0	108.3	L11	L9-L11 HydrophobicContact CB-CG 4.31Å; L9-L11 HydrophobicContact CD2-CD2 4.29Å; L9-L11 PolarHBondContact O-N 3.34Å
10	N	36.8	Very low	36.9	Very low	161 Å²	161	127.3 Å²	127.3	86%	0.861	65%	0.651	S	S	*	*			trans	-65.5	78.6	161.2	-75.7	-24.6	0	0	0	107.7	K8	K8-N10 PolarHBondContact O-N 3.05Å; K8-N10 VanDerWaalsContact O-N 3.08Å
11	L	38.5	Very low	37.8	Very low	53 Å²	53	122.3 Å²	122.3	28%	0.277	63%	0.626	S	S	.	*			trans	-69.2	132.7	168.6	-71	164.3	0	0	0	107.2	L9 D13 F16	L9-L11 HydrophobicContact CB-CG 4.31Å; L9-L11 HydrophobicContact CD2-CD2 4.29Å; L9-L11 PolarHBondContact O-N 3.34Å; L11-D13 PolarHBondContact O-N 3.16Å; L11-F16 HydrophobicContact CB-CE2 4.36Å; L11-F16 HydrophobicContact CD1-CE2 4.28Å; L11-F16 HydrophobicContact CD1-CZ 4.46Å
12	P	43.4	Very low	38.7	Very low	85 Å²	85	113.3 Å²	113.3	55%	0.552	59%	0.585	S	S	*	*			trans	-55.3	128.8	171.6	22.9	-31.5	0	0	0	109.2	D14	P12-D14 PolarHBondContact O-N 3.35Å
13	D	43.8	Very low	39.9	Very low	133 Å²	133	106.4 Å²	106.4	71%	0.711	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	5.5	-174.2	-86.1	-36.2	0	0	0	115.3	L11	L11-D13 PolarHBondContact O-N 3.16Å
14	D	46.5	Very low	41.3	Very low	103 Å²	103	98 Å²	98	55%	0.551	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-23.8	-172.7	-75.1	-31.4	0	0	0	114.2	P12 F16 K17	P12-D14 PolarHBondContact O-N 3.35Å; D14-F16 PolarHBondContact O-N 2.66Å; D14-F16 VanDerWaalsContact O-N 3.14Å; D14-K17 IonicContact OD1-NZ 2.62Å; D14-K17 PolarHBondContact OD1-NZ 2.9Å
15	C	40.2	Very low	42.6	Very low	16 Å²	16	96 Å²	96	11%	0.108	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.7	172.6	-59.1	0	0	0	0	113.8	C24	C15-C24 HydrophobicContact CB-CB 4.34Å
16	F	35.7	Very low	44.4	Very low	115 Å²	115	92.7 Å²	92.7	50%	0.504	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.6	-172	-78.7	-87.2	0	0	0	115.1	L11 D14 W25	L11-F16 HydrophobicContact CB-CE2 4.36Å; L11-F16 HydrophobicContact CD1-CE2 4.28Å; L11-F16 HydrophobicContact CD1-CZ 4.46Å; D14-F16 PolarHBondContact O-N 2.66Å; D14-F16 VanDerWaalsContact O-N 3.14Å; F16-W25 HydrophobicContact CD1-CZ2 4.2Å; F16-W25 AromaticContact CE1-CH2 3.85Å; F16-W25 HydrophobicContact CE1-CH2 3.85Å; F16-W25 AromaticContact CE1-CZ2 3.42Å; F16-W25 HydrophobicContact CE1-CZ2 3.42Å; F16-W25 VanDerWaalsContact CE1-CZ2 3.42Å; F16-W25 HydrophobicContact CZ-CH2 4.02Å; F16-W25 AromaticContact CZ-CZ2 3.85Å; F16-W25 HydrophobicContact CZ-CZ2 3.85Å
17	K	40.6	Very low	45.8	Very low	154 Å²	154	88.7 Å²	88.7	67%	0.67	45%	0.446	S	S	*	.	S	Bend	trans	-87.9	-7.7	-168.5	-75	177.3	-170	143.3	0	116.1	D14	D14-K17 IonicContact OD1-NZ 2.62Å; D14-K17 PolarHBondContact OD1-NZ 2.9Å
18	T	37	Very low	47.5	Very low	89 Å²	89	84.5 Å²	84.5	55%	0.546	42%	0.419	S	S	.	.	S	Bend	trans	-140.3	137.8	176.1	31.1	0	0	0	0	109.7	I20	T18-I20 PolarHBondContact O-N 3.33Å
19	K	40.2	Very low	49.1	Very low	222 Å²	222	80.8 Å²	80.8	97%	0.965	40%	0.404	S	S	*	.	S	Bend	trans	-61.4	25.1	174.6	-73.8	-178.1	169.9	-177.6	0	114
20	I	43	Very low	50.7	Low	97 Å²	97	75.5 Å²	75.5	50%	0.497	38%	0.376	S	S	.	.			trans	-142.7	50.5	-157.9	-44.3	176.8	0	0	0	109.3	T18 L68	T18-I20 PolarHBondContact O-N 3.33Å; I20-L68 HydrophobicContact CD1-CD2 4.44Å
21	D	55.9	Low	52.2	Low	24 Å²	24	72.2 Å²	72.2	13%	0.128	35%	0.352	C	S	.	.			trans	-151.7	60.3	163.4	-146.1	-22.1	0	0	0	112.5	V23 C24 W25 S48	D21-V23 PolarHBondContact O-N 3.35Å; D21-V23 PolarHBondContact OD1-N 2.46Å; D21-C24 HydrophobicContact CB-CB 3.82Å; D21-C24 VanDerWaalsContact CG-SG 3.54Å; D21-C24 PolarHBondContact O-N 3.16Å; D21-C24 VanDerWaalsContact O-N 3.17Å; D21-C24 PolarHBondContact OD1-N 2.77Å; D21-C24 PolarHBondContact OD2-SG 3.48Å; D21-W25 PolarHBondContact O-N 3.43Å; D21-S48 PolarHBondContact OD1-OG 2.69Å; D21-S48 PolarHBondContact OD2-OG 3.48Å
22	S	54.4	Low	53.7	Low	35 Å²	35	73 Å²	73	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-43.7	-38.7	163.8	32.2	0	0	0	0	111.9	W25 K26 E71 N117	S22-W25 PolarHBondContact O-N 2.89Å; S22-K26 VanDerWaalsContact O-CB 3.28Å; S22-K26 WeakPolarHBondContact O-CB 2.97Å; S22-K26 PolarHBondContact O-N 3.29Å; S22-E71 WeakPolarHBondContact CB-OE1 3.24Å; S22-E71 PolarHBondContact OG-OE1 2.81Å; S22-N117 WeakPolarHBondContact CB-OD1 3.14Å
23	V	56.7	Low	54.9	Low	3 Å²	3	74.1 Å²	74.1	2%	0.018	36%	0.362	C	S	.	.	H	α-helix	trans	-69.9	-43.9	-179.2	-174.1	0	0	0	0	111.6	D21 K26 A27 F70 E71 I74 L114	D21-V23 PolarHBondContact O-N 3.35Å; D21-V23 PolarHBondContact OD1-N 2.46Å; V23-K26 PolarHBondContact O-N 2.88Å; V23-A27 WeakPolarHBondContact O-CB 3.04Å; V23-A27 PolarHBondContact O-N 3.33Å; V23-F70 HydrophobicContact CB-CD1 3.97Å; V23-F70 HydrophobicContact CB-CE1 4.31Å; V23-F70 HydrophobicContact CG1-CD1 3.79Å; V23-F70 HydrophobicContact CG1-CE1 3.64Å; V23-F70 HydrophobicContact CG2-CD1 4.12Å; V23-E71 HydrophobicContact CG2-CG 3.6Å; V23-I74 HydrophobicContact CG1-CD1 4.17Å; V23-I74 HydrophobicContact CG2-CD1 4.4Å; V23-L114 HydrophobicContact CG1-CD1 3.75Å; V23-L114 HydrophobicContact CG1-CD2 3.94Å; V23-L114 HydrophobicContact CG1-CG 3.87Å
24	C	58.3	Low	55.9	Low	1 Å²	1	70.1 Å²	70.1	1%	0.007	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-42.5	171.5	-91.9	0	0	0	0	112.6	C15 D21 N28 L45	C15-C24 HydrophobicContact CB-CB 4.34Å; D21-C24 HydrophobicContact CB-CB 3.82Å; D21-C24 VanDerWaalsContact CG-SG 3.54Å; D21-C24 PolarHBondContact O-N 3.16Å; D21-C24 VanDerWaalsContact O-N 3.17Å; D21-C24 PolarHBondContact OD1-N 2.77Å; D21-C24 PolarHBondContact OD2-SG 3.48Å; C24-N28 WeakPolarHBondContact O-CB 3.33Å; C24-N28 PolarHBondContact O-N 3.27Å; C24-N28 PolarHBondContact O-ND2 3.26Å; C24-L45 HydrophobicContact CB-CD2 3.88Å; C24-L45 WeakPolarHBondContact SG-CD2 3.03Å
25	W	61.4	Low	56.7	Low	141 Å²	141	68.7 Å²	68.7	53%	0.534	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-49.1	175.8	-86.5	90.4	0	0	0	111	F16 D21 S22 N28 E29	F16-W25 HydrophobicContact CD1-CZ2 4.2Å; F16-W25 AromaticContact CE1-CH2 3.85Å; F16-W25 HydrophobicContact CE1-CH2 3.85Å; F16-W25 AromaticContact CE1-CZ2 3.42Å; F16-W25 HydrophobicContact CE1-CZ2 3.42Å; F16-W25 VanDerWaalsContact CE1-CZ2 3.42Å; F16-W25 HydrophobicContact CZ-CH2 4.02Å; F16-W25 AromaticContact CZ-CZ2 3.85Å; F16-W25 HydrophobicContact CZ-CZ2 3.85Å; D21-W25 PolarHBondContact O-N 3.43Å; S22-W25 PolarHBondContact O-N 2.89Å; W25-N28 PolarHBondContact O-N 3.45Å; W25-E29 WeakPolarHBondContact O-CG 3.41Å; W25-E29 PolarHBondContact O-N 3.19Å
26	K	65.2	Low	57.6	Low	33 Å²	33	69.5 Å²	69.5	14%	0.143	35%	0.345	C	S	.	.	H	α-helix	trans	-67.3	-39.4	-179.4	-160.1	65.1	160.8	-154.2	0	112.6	S22 V23 N28 E29 I30 E113 L114 D116	S22-K26 VanDerWaalsContact O-CB 3.28Å; S22-K26 WeakPolarHBondContact O-CB 2.97Å; S22-K26 PolarHBondContact O-N 3.29Å; V23-K26 PolarHBondContact O-N 2.88Å; K26-N28 VanDerWaalsContact C-N 3.3Å; K26-N28 PolarHBondContact O-N 3.43Å; K26-E29 IonicContact NZ-OE2 3.98Å; K26-E29 WeakPolarHBondContact O-CB 3.33Å; K26-E29 PolarHBondContact O-N 3.04Å; K26-I30 HydrophobicContact CG-CD1 4.25Å; K26-I30 VanDerWaalsContact O-CG1 3.25Å; K26-I30 WeakPolarHBondContact O-CG1 3.31Å; K26-I30 PolarHBondContact O-N 2.95Å; K26-E113 WeakPolarHBondContact CE-O 3.12Å; K26-E113 VanDerWaalsContact CG-O 3.31Å; K26-E113 WeakPolarHBondContact CG-O 3.38Å; K26-L114 HydrophobicContact CB-CD1 4.36Å; K26-D116 WeakPolarHBondContact CE-O 3.37Å; K26-D116 PolarHBondContact NZ-O 3.44Å
27	A	65.8	Low	58.6	Low	1 Å²	1	64.1 Å²	64.1	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-39.8	174.3	0	0	0	0	0	111.7	V23 I30 R31 T41 L45 L114	V23-A27 WeakPolarHBondContact O-CB 3.04Å; V23-A27 PolarHBondContact O-N 3.33Å; A27-I30 PolarHBondContact O-N 3.12Å; A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 2.81Å; A27-T41 HydrophobicContact CB-CG2 4.35Å; A27-T41 VanDerWaalsContact O-CG2 3.26Å; A27-T41 WeakPolarHBondContact O-CG2 3.31Å; A27-L45 HydrophobicContact CB-CD2 3.97Å; A27-L45 HydrophobicContact CB-CG 4.21Å; A27-L114 HydrophobicContact CB-CD1 4.39Å
28	N	67.2	Low	59.4	Low	27 Å²	27	58 Å²	58	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-67.9	-38.9	173.5	-78.8	-52.2	0	0	0	112.5	C24 W25 K26 R31 A32	C24-N28 WeakPolarHBondContact O-CB 3.33Å; C24-N28 PolarHBondContact O-N 3.27Å; C24-N28 PolarHBondContact O-ND2 3.26Å; W25-N28 PolarHBondContact O-N 3.45Å; K26-N28 VanDerWaalsContact C-N 3.3Å; K26-N28 PolarHBondContact O-N 3.43Å; N28-R31 PolarHBondContact O-N 2.9Å; N28-A32 WeakPolarHBondContact O-CB 3.36Å; N28-A32 PolarHBondContact O-N 2.83Å
29	E	67.1	Low	60.2	Low	93 Å²	93	56.1 Å²	56.1	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-46.5	172.5	-73.2	-171	167.5	0	0	111.7	W25 K26 A32 K33	W25-E29 WeakPolarHBondContact O-CG 3.41Å; W25-E29 PolarHBondContact O-N 3.19Å; K26-E29 IonicContact NZ-OE2 3.98Å; K26-E29 WeakPolarHBondContact O-CB 3.33Å; K26-E29 PolarHBondContact O-N 3.04Å; E29-A32 PolarHBondContact O-N 3.11Å; E29-K33 WeakPolarHBondContact O-CG 3.34Å; E29-K33 PolarHBondContact O-N 3.02Å
30	I	67.1	Low	60.9	Low	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-43	178.2	-63.9	165.1	0	0	0	110.1	K26 A27 A32 K33 Y34 V37 T41 F110 E113 L114	K26-I30 HydrophobicContact CG-CD1 4.25Å; K26-I30 VanDerWaalsContact O-CG1 3.25Å; K26-I30 WeakPolarHBondContact O-CG1 3.31Å; K26-I30 PolarHBondContact O-N 2.95Å; A27-I30 PolarHBondContact O-N 3.12Å; I30-A32 VanDerWaalsContact C-N 3.28Å; I30-A32 PolarHBondContact O-N 2.78Å; I30-K33 PolarHBondContact O-N 3.44Å; I30-K33 VanDerWaalsContact O-N 3.14Å; I30-Y34 HydrophobicContact CG2-CD2 3.8Å; I30-Y34 HydrophobicContact CG2-CE2 4.32Å; I30-Y34 WeakPolarHBondContact O-CD2 3.2Å; I30-Y34 PolarHBondContact O-N 2.81Å; I30-V37 HydrophobicContact CG2-CG1 4.21Å; I30-T41 HydrophobicContact CB-CG2 4.27Å; I30-T41 HydrophobicContact CG2-CG2 4.25Å; I30-F110 HydrophobicContact CB-CE2 4.36Å; I30-F110 HydrophobicContact CD1-CD2 4.31Å; I30-F110 HydrophobicContact CD1-CE2 3.97Å; I30-F110 HydrophobicContact CD1-CZ 4.25Å; I30-F110 HydrophobicContact CG2-CD2 3.91Å; I30-F110 HydrophobicContact CG2-CE2 3.56Å; I30-E113 HydrophobicContact CD1-CB 4.35Å; I30-E113 HydrophobicContact CD1-CG 4.12Å; I30-E113 HydrophobicContact CG1-CG 4.17Å; I30-L114 HydrophobicContact CD1-CD1 4.32Å
31	R	68	Low	61.7	Low	91 Å²	91	41 Å²	41	34%	0.343	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-39.9	175	-176.9	-176.7	179.6	159.1	16.9	112.3	A27 N28 Y34 T41 D42	A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 2.81Å; N28-R31 PolarHBondContact O-N 2.9Å; R31-Y34 CarbonylContact O-C 3.34Å; R31-Y34 VanDerWaalsContact O-C 3.31Å; R31-T41 HydrophobicContact CB-CG2 4.23Å; R31-D42 IonicContact CZ-OD1 3.94Å; R31-D42 IonicContact CZ-OD2 3.95Å; R31-D42 IonicContact NE-OD1 2.82Å; R31-D42 IonicContact NH1-OD1 3.14Å; R31-D42 PolarHBondContact NH1-OD1 3.48Å; R31-D42 IonicContact NH2-OD1 3.36Å; R31-D42 PolarHBondContact NH2-OD1 3.36Å; R31-D42 IonicContact NH2-OD2 3.48Å; R31-D42 PolarHBondContact NH2-OD2 2.67Å
32	A	69.6	Low	61.8	Low	71 Å²	71	42.5 Å²	42.5	59%	0.587	23%	0.232	S	C	*	.	H	α-helix	trans	-68.4	-36.3	177.4	0	0	0	0	0	112.2	N28 E29 I30	N28-A32 WeakPolarHBondContact O-CB 3.36Å; N28-A32 PolarHBondContact O-N 2.83Å; E29-A32 PolarHBondContact O-N 3.11Å; I30-A32 VanDerWaalsContact C-N 3.28Å; I30-A32 PolarHBondContact O-N 2.78Å
33	K	68.4	Low	61.9	Low	107 Å²	107	43.4 Å²	43.4	47%	0.465	24%	0.236	S	C	.	.	H	α-helix	trans	-71.7	-38.7	175.5	-70.1	177.7	-169.3	174.7	0	112.6	E29 I30 E113	E29-K33 WeakPolarHBondContact O-CG 3.34Å; E29-K33 PolarHBondContact O-N 3.02Å; I30-K33 PolarHBondContact O-N 3.44Å; I30-K33 VanDerWaalsContact O-N 3.14Å; K33-E113 IonicContact NZ-OE1 2.69Å; K33-E113 PolarHBondContact NZ-OE1 2.94Å
34	Y	65.9	Low	61.9	Low	49 Å²	49	43.4 Å²	43.4	19%	0.192	24%	0.236	C	C	.	.			trans	-127.6	85.1	-175	-50.6	-86.1	0	0	0	110.3	I30 R31 G36 V37 P102 P105	I30-Y34 HydrophobicContact CG2-CD2 3.8Å; I30-Y34 HydrophobicContact CG2-CE2 4.32Å; I30-Y34 WeakPolarHBondContact O-CD2 3.2Å; I30-Y34 PolarHBondContact O-N 2.81Å; R31-Y34 CarbonylContact O-C 3.34Å; R31-Y34 VanDerWaalsContact O-C 3.31Å; Y34-G36 PolarHBondContact O-N 3.49Å; Y34-V37 HydrophobicContact CG-CG2 4.1Å; Y34-V37 WeakPolarHBondContact O-CA 3.29Å; Y34-V37 VanDerWaalsContact O-CB 3.3Å; Y34-V37 WeakPolarHBondContact O-CB 3.07Å; Y34-V37 PolarHBondContact O-N 3.45Å; Y34-P102 HydrophobicContact CD1-CG 3.97Å; Y34-P102 HydrophobicContact CE1-CB 4.35Å; Y34-P102 HydrophobicContact CE1-CG 3.87Å; Y34-P105 HydrophobicContact CE2-CG 4.23Å
35	P	63.4	Low	61.9	Low	74 Å²	74	44 Å²	44	48%	0.481	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-57.5	-25.5	-179.3	-24.6	33.1	0	0	0	113.7	V37	P35-V37 VanDerWaalsContact C-N 3.26Å; P35-V37 PolarHBondContact O-N 2.57Å
36	G	57.9	Low	61.5	Low	33 Å²	33	41.3 Å²	41.3	34%	0.34	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-72.5	-13.3	174	0	0	0	0	0	114.8	Y34 A38	Y34-G36 PolarHBondContact O-N 3.49Å; G36-A38 VanDerWaalsContact C-N 3.31Å
37	V	57.5	Low	60.7	Low	2 Å²	2	40.1 Å²	40.1	1%	0.012	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-93.4	8.9	179.6	-171.9	0	0	0	0	111.2	I30 Y34 P35 A39 P40 T41 M92 P104 F110	I30-V37 HydrophobicContact CG2-CG1 4.21Å; Y34-V37 HydrophobicContact CG-CG2 4.1Å; Y34-V37 WeakPolarHBondContact O-CA 3.29Å; Y34-V37 VanDerWaalsContact O-CB 3.3Å; Y34-V37 WeakPolarHBondContact O-CB 3.07Å; Y34-V37 PolarHBondContact O-N 3.45Å; P35-V37 VanDerWaalsContact C-N 3.26Å; P35-V37 PolarHBondContact O-N 2.57Å; V37-A39 PolarHBondContact O-N 2.96Å; V37-A39 VanDerWaalsContact O-N 3.14Å; V37-P40 HydrophobicContact CB-CG 4.43Å; V37-P40 HydrophobicContact CG1-CG 3.56Å; V37-P40 WeakPolarHBondContact O-CD 3.28Å; V37-P40 WeakPolarHBondContact O-CG 3.03Å; V37-T41 HydrophobicContact CG1-CG2 4.08Å; V37-T41 PolarHBondContact O-N 3.38Å; V37-T41 PolarHBondContact O-OG1 2.91Å; V37-M92 HydrophobicContact CG1-CE 4.37Å; V37-M92 HydrophobicContact CG2-CE 4.29Å; V37-P104 HydrophobicContact CG2-CB 3.25Å; V37-P104 HydrophobicContact CG2-CG 4.41Å; V37-F110 HydrophobicContact CG1-CD2 4.12Å; V37-F110 HydrophobicContact CG1-CE2 3.74Å
38	A	58.1	Low	59.9	Low	25 Å²	25	41.1 Å²	41.1	21%	0.207	24%	0.241	C	C	.	.	H	α-helix	trans	-51.9	-38	176.5	0	0	0	0	0	111.7	G36 T41 D42	G36-A38 VanDerWaalsContact C-N 3.31Å; A38-T41 WeakPolarHBondContact CA-OG1 3.49Å; A38-T41 PolarHBondContact O-OG1 2.75Å; A38-T41 VanDerWaalsContact O-OG1 3.11Å; A38-D42 WeakPolarHBondContact O-CA 3.38Å; A38-D42 WeakPolarHBondContact O-CB 3.33Å; A38-D42 PolarHBondContact O-N 3.26Å; A38-D42 VanDerWaalsContact O-OD2 3.05Å
39	A	52.6	Low	59.1	Low	49 Å²	49	44 Å²	44	41%	0.405	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-52.9	-178.4	0	0	0	0	0	115.4	V37 T43 M92	V37-A39 PolarHBondContact O-N 2.96Å; V37-A39 VanDerWaalsContact O-N 3.14Å; A39-T43 WeakPolarHBondContact O-CB 3.41Å; A39-T43 PolarHBondContact O-N 2.9Å; A39-T43 PolarHBondContact O-OG1 2.79Å; A39-M92 HydrophobicContact CB-CG 4.23Å; A39-M92 HydrophobicContact CB-SD 4.06Å
40	P	55.1	Low	58.1	Low	2 Å²	2	41.9 Å²	41.9	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-71.4	-33.7	178	19.2	-28.7	0	0	0	112.7	V37 T43 L44 I88 M92	V37-P40 HydrophobicContact CB-CG 4.43Å; V37-P40 HydrophobicContact CG1-CG 3.56Å; V37-P40 WeakPolarHBondContact O-CD 3.28Å; V37-P40 WeakPolarHBondContact O-CG 3.03Å; P40-T43 PolarHBondContact O-N 3.14Å; P40-L44 WeakPolarHBondContact O-CB 3.37Å; P40-L44 WeakPolarHBondContact O-CD1 3.46Å; P40-L44 VanDerWaalsContact O-CG 3.27Å; P40-L44 WeakPolarHBondContact O-CG 3.3Å; P40-L44 PolarHBondContact O-N 3.38Å; P40-I88 HydrophobicContact CB-CB 4.34Å; P40-I88 HydrophobicContact CB-CG2 3.57Å; P40-I88 HydrophobicContact CG-CG2 3.86Å; P40-M92 WeakPolarHBondContact CD-SD 3.37Å; P40-M92 HydrophobicContact CG-CE 3.34Å; P40-M92 HydrophobicContact CG-SD 3.62Å
41	T	59.6	Low	56.9	Low	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-45.1	173.7	48.9	0	0	0	0	110.6	A27 I30 R31 V37 A38 T43 L44 L45 F110	A27-T41 HydrophobicContact CB-CG2 4.35Å; A27-T41 VanDerWaalsContact O-CG2 3.26Å; A27-T41 WeakPolarHBondContact O-CG2 3.31Å; I30-T41 HydrophobicContact CB-CG2 4.27Å; I30-T41 HydrophobicContact CG2-CG2 4.25Å; R31-T41 HydrophobicContact CB-CG2 4.23Å; V37-T41 HydrophobicContact CG1-CG2 4.08Å; V37-T41 PolarHBondContact O-N 3.38Å; V37-T41 PolarHBondContact O-OG1 2.91Å; A38-T41 WeakPolarHBondContact CA-OG1 3.49Å; A38-T41 PolarHBondContact O-OG1 2.75Å; A38-T41 VanDerWaalsContact O-OG1 3.11Å; T41-T43 VanDerWaalsContact C-N 3.29Å; T41-T43 PolarHBondContact O-N 2.98Å; T41-L44 WeakPolarHBondContact O-CB 3.4Å; T41-L44 PolarHBondContact O-N 3.4Å; T41-L44 VanDerWaalsContact O-N 3.15Å; T41-L45 WeakPolarHBondContact O-CB 3.46Å; T41-L45 WeakPolarHBondContact O-CG 3.14Å; T41-L45 PolarHBondContact O-N 3Å; T41-F110 HydrophobicContact CG2-CE2 3.94Å; T41-F110 HydrophobicContact CG2-CZ 4.03Å
42	D	59.4	Low	55.6	Low	55 Å²	55	41.5 Å²	41.5	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-36	174.4	-70.4	-25.9	0	0	0	111.7	R31 A38 T46	R31-D42 IonicContact CZ-OD1 3.94Å; R31-D42 IonicContact CZ-OD2 3.95Å; R31-D42 IonicContact NE-OD1 2.82Å; R31-D42 IonicContact NH1-OD1 3.14Å; R31-D42 PolarHBondContact NH1-OD1 3.48Å; R31-D42 IonicContact NH2-OD1 3.36Å; R31-D42 PolarHBondContact NH2-OD1 3.36Å; R31-D42 IonicContact NH2-OD2 3.48Å; R31-D42 PolarHBondContact NH2-OD2 2.67Å; A38-D42 WeakPolarHBondContact O-CA 3.38Å; A38-D42 WeakPolarHBondContact O-CB 3.33Å; A38-D42 PolarHBondContact O-N 3.26Å; A38-D42 VanDerWaalsContact O-OD2 3.05Å; D42-T46 VanDerWaalsContact O-CB 3.29Å; D42-T46 WeakPolarHBondContact O-CB 3.4Å; D42-T46 PolarHBondContact O-N 3.18Å; D42-T46 PolarHBondContact O-OG1 2.78Å
43	T	56.6	Low	54.3	Low	54 Å²	54	39.1 Å²	39.1	33%	0.331	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-47.5	173.2	-55.5	0	0	0	0	110.2	A39 P40 T41 T46 T47 I88	A39-T43 WeakPolarHBondContact O-CB 3.41Å; A39-T43 PolarHBondContact O-N 2.9Å; A39-T43 PolarHBondContact O-OG1 2.79Å; P40-T43 PolarHBondContact O-N 3.14Å; T41-T43 VanDerWaalsContact C-N 3.29Å; T41-T43 PolarHBondContact O-N 2.98Å; T43-T46 PolarHBondContact O-N 3.29Å; T43-T47 WeakPolarHBondContact O-CG2 3.28Å; T43-T47 PolarHBondContact O-N 2.64Å; T43-T47 PolarHBondContact O-OG1 3.47Å; T43-I88 HydrophobicContact CG2-CD1 3.87Å
44	L	56.3	Low	52.9	Low	3 Å²	3	35.8 Å²	35.8	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-43.7	177.3	-73.3	159.4	0	0	0	112.5	P40 T41 T47 S48 Y81 F110 L114	P40-L44 WeakPolarHBondContact O-CB 3.37Å; P40-L44 WeakPolarHBondContact O-CD1 3.46Å; P40-L44 VanDerWaalsContact O-CG 3.27Å; P40-L44 WeakPolarHBondContact O-CG 3.3Å; P40-L44 PolarHBondContact O-N 3.38Å; T41-L44 WeakPolarHBondContact O-CB 3.4Å; T41-L44 PolarHBondContact O-N 3.4Å; T41-L44 VanDerWaalsContact O-N 3.15Å; L44-T47 WeakPolarHBondContact CA-OG1 3.38Å; L44-T47 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-OG1 2.81Å; L44-S48 WeakPolarHBondContact O-CB 3.12Å; L44-S48 PolarHBondContact O-N 3.06Å; L44-Y81 HydrophobicContact CD2-CD1 4.24Å; L44-Y81 HydrophobicContact CD2-CE1 4.11Å; L44-F110 HydrophobicContact CD1-CE1 3.31Å; L44-F110 HydrophobicContact CD1-CZ 3.39Å; L44-L114 HydrophobicContact CD1-CD2 4.18Å; L44-L114 HydrophobicContact CD2-CD2 4.29Å
45	L	57.2	Low	51.5	Low	14 Å²	14	37.4 Å²	37.4	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-46.6	176.4	-68.3	172.8	0	0	0	110.9	C24 A27 T41 T47 S48 D49	C24-L45 HydrophobicContact CB-CD2 3.88Å; C24-L45 WeakPolarHBondContact SG-CD2 3.03Å; A27-L45 HydrophobicContact CB-CD2 3.97Å; A27-L45 HydrophobicContact CB-CG 4.21Å; T41-L45 WeakPolarHBondContact O-CB 3.46Å; T41-L45 WeakPolarHBondContact O-CG 3.14Å; T41-L45 PolarHBondContact O-N 3Å; L45-T47 VanDerWaalsContact C-N 3.27Å; L45-T47 PolarHBondContact O-N 3.14Å; L45-S48 PolarHBondContact O-N 3.45Å; L45-S48 VanDerWaalsContact O-N 3.12Å; L45-D49 WeakPolarHBondContact O-CB 3.27Å; L45-D49 PolarHBondContact O-N 3.01Å
46	T	53.1	Low	50.2	Low	85 Å²	85	39 Å²	39	52%	0.521	25%	0.249	S	C	.	.	H	α-helix	trans	-56.8	-45.2	175	-54.9	0	0	0	0	110.1	D42 T43 S48 S50	D42-T46 VanDerWaalsContact O-CB 3.29Å; D42-T46 WeakPolarHBondContact O-CB 3.4Å; D42-T46 PolarHBondContact O-N 3.18Å; D42-T46 PolarHBondContact O-OG1 2.78Å; T43-T46 PolarHBondContact O-N 3.29Å; T46-S48 VanDerWaalsContact C-N 3.33Å; T46-S48 PolarHBondContact O-N 3.08Å; T46-S50 WeakPolarHBondContact O-CB 3.17Å; T46-S50 PolarHBondContact O-N 2.85Å; T46-S50 PolarHBondContact O-OG 3.12Å
47	T	49.6	Very low	49.1	Very low	8 Å²	8	39.2 Å²	39.2	5%	0.049	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-29.1	179.9	61.7	0	0	0	0	113.5	T43 L44 L45 G51 E52 I53 F70	T43-T47 WeakPolarHBondContact O-CG2 3.28Å; T43-T47 PolarHBondContact O-N 2.64Å; T43-T47 PolarHBondContact O-OG1 3.47Å; L44-T47 WeakPolarHBondContact CA-OG1 3.38Å; L44-T47 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-OG1 2.81Å; L45-T47 VanDerWaalsContact C-N 3.27Å; L45-T47 PolarHBondContact O-N 3.14Å; T47-G51 CarbonylContact O-C 3.37Å; T47-G51 WeakPolarHBondContact O-CA 3.37Å; T47-G51 PolarHBondContact O-N 3.32Å; T47-E52 WeakPolarHBondContact CA-O 3.29Å; T47-E52 WeakPolarHBondContact CG2-O 3.25Å; T47-E52 PolarHBondContact O-N 3.46Å; T47-E52 VanDerWaalsContact O-N 3.14Å; T47-I53 HydrophobicContact CG2-CB 4.09Å; T47-I53 HydrophobicContact CG2-CG1 3.61Å; T47-I53 HydrophobicContact CG2-CG2 4.23Å; T47-F70 VanDerWaalsContact OG1-CZ 3.32Å; T47-F70 WeakPolarHBondContact OG1-CZ 3.48Å
48	S	49.2	Very low	48.2	Very low	21 Å²	21	45.6 Å²	45.6	15%	0.147	28%	0.28	C	S	.	.	H	α-helix	trans	-74.7	-49.2	175.9	-154.6	0	0	0	0	111	D21 L44 L45 T46 S50 G51	D21-S48 PolarHBondContact OD1-OG 2.69Å; D21-S48 PolarHBondContact OD2-OG 3.48Å; L44-S48 WeakPolarHBondContact O-CB 3.12Å; L44-S48 PolarHBondContact O-N 3.06Å; L45-S48 PolarHBondContact O-N 3.45Å; L45-S48 VanDerWaalsContact O-N 3.12Å; T46-S48 VanDerWaalsContact C-N 3.33Å; T46-S48 PolarHBondContact O-N 3.08Å; S48-S50 PolarHBondContact O-N 3.39Å; S48-G51 PolarHBondContact O-N 2.74Å
49	D	48.7	Very low	46.9	Very low	88 Å²	88	51.9 Å²	51.9	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-68.4	-37	-176.3	-73.2	-22.5	0	0	0	112.6	L45	L45-D49 WeakPolarHBondContact O-CB 3.27Å; L45-D49 PolarHBondContact O-N 3.01Å
50	S	46.4	Very low	45.9	Very low	48 Å²	48	55.2 Å²	55.2	34%	0.336	33%	0.327	S	S	.	.	S	Bend	trans	-95.7	-5.9	179	60.9	0	0	0	0	113.4	T46 S48 E52	T46-S50 WeakPolarHBondContact O-CB 3.17Å; T46-S50 PolarHBondContact O-N 2.85Å; T46-S50 PolarHBondContact O-OG 3.12Å; S48-S50 PolarHBondContact O-N 3.39Å; S50-E52 WeakPolarHBondContact O-CB 3.4Å; S50-E52 WeakPolarHBondContact O-CG 3.48Å; S50-E52 PolarHBondContact O-N 2.89Å; S50-E52 VanDerWaalsContact OG-CB 3.28Å; S50-E52 WeakPolarHBondContact OG-CB 3.45Å
51	G	42.3	Very low	44.9	Very low	12 Å²	12	56.3 Å²	56.3	12%	0.124	34%	0.338	C	S	.	.	S	Bend	trans	55.9	28.7	-171.7	0	0	0	0	0	111.7	T47 S48 R64 L65 L66	T47-G51 CarbonylContact O-C 3.37Å; T47-G51 WeakPolarHBondContact O-CA 3.37Å; T47-G51 PolarHBondContact O-N 3.32Å; S48-G51 PolarHBondContact O-N 2.74Å; G51-R64 CarbonylContact O-C 3.25Å; G51-L65 CarbonylContact O-C 3.58Å; G51-L65 VanDerWaalsContact O-CA 3.29Å; G51-L65 WeakPolarHBondContact O-CA 3.32Å; G51-L66 WeakPolarHBondContact O-CB 3.34Å; G51-L66 WeakPolarHBondContact O-CG 3.15Å; G51-L66 PolarHBondContact O-N 2.85Å
52	E	40.4	Very low	43.7	Very low	71 Å²	71	63 Å²	63	33%	0.332	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	107.7	-159.2	-101	-163.8	-147.5	0	0	108.9	T47 S50 S63	T47-E52 WeakPolarHBondContact CA-O 3.29Å; T47-E52 WeakPolarHBondContact CG2-O 3.25Å; T47-E52 PolarHBondContact O-N 3.46Å; T47-E52 VanDerWaalsContact O-N 3.14Å; S50-E52 WeakPolarHBondContact O-CB 3.4Å; S50-E52 WeakPolarHBondContact O-CG 3.48Å; S50-E52 PolarHBondContact O-N 2.89Å; S50-E52 VanDerWaalsContact OG-CB 3.28Å; S50-E52 WeakPolarHBondContact OG-CB 3.45Å; E52-S63 VanDerWaalsContact CA-CB 3.5Å; E52-S63 VanDerWaalsContact CB-OG 3.28Å; E52-S63 WeakPolarHBondContact CB-OG 3.26Å; E52-S63 VanDerWaalsContact CG-CB 3.42Å; E52-S63 WeakPolarHBondContact OE2-CB 2.95Å; E52-S63 PolarHBondContact OE2-OG 2.56Å
53	I	42.2	Very low	42.5	Very low	22 Å²	22	61.7 Å²	61.7	11%	0.113	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.9	171.1	-50.1	167.7	0	0	0	110.4	T47 T55 L66 F73 Y81 I84	T47-I53 HydrophobicContact CG2-CB 4.09Å; T47-I53 HydrophobicContact CG2-CG1 3.61Å; T47-I53 HydrophobicContact CG2-CG2 4.23Å; I53-T55 HydrophobicContact CB-CG2 4.32Å; I53-T55 HydrophobicContact CG2-CG2 3.68Å; I53-T55 PolarHBondContact O-N 3.23Å; I53-L66 HydrophobicContact CD1-CD1 3.64Å; I53-L66 HydrophobicContact CG1-CD1 3.72Å; I53-F73 HydrophobicContact CD1-CD1 4.32Å; I53-F73 HydrophobicContact CD1-CE1 3.54Å; I53-F73 HydrophobicContact CD1-CZ 4.39Å; I53-Y81 HydrophobicContact CD1-CD2 4.49Å; I53-Y81 HydrophobicContact CD1-CE1 3.62Å; I53-Y81 HydrophobicContact CD1-CE2 3.62Å; I53-Y81 WeakPolarHBondContact CD1-OH 3.27Å; I53-Y81 HydrophobicContact CG1-CE1 4.45Å; I53-I84 HydrophobicContact CG2-CD1 3.95Å
54	D	39.3	Very low	41.5	Very low	36 Å²	36	69.3 Å²	69.3	19%	0.193	40%	0.4	C	S	.	.			trans	-87.4	103.9	166.2	-177.1	3.1	0	0	0	110.3	S56 S57 P60 G61	D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact OD1-N 2.97Å; D54-S56 PolarHBondContact OD1-OG 2.83Å; D54-S57 VanDerWaalsContact CG-OG 3.3Å; D54-S57 PolarHBondContact OD1-N 3.35Å; D54-S57 WeakPolarHBondContact OD2-CB 3.44Å; D54-S57 PolarHBondContact OD2-OG 3.39Å; D54-P60 VanDerWaalsContact OD2-C 3.29Å; D54-P60 WeakPolarHBondContact OD2-CA 3.43Å; D54-G61 PolarHBondContact OD2-N 3.37Å
55	T	37.3	Very low	40.6	Very low	84 Å²	84	76.2 Å²	76.2	52%	0.515	44%	0.436	S	S	.	.	S	Bend	trans	-88.4	2.4	-179.8	60.7	0	0	0	0	112.8	I53 E80 I84	I53-T55 HydrophobicContact CB-CG2 4.32Å; I53-T55 HydrophobicContact CG2-CG2 3.68Å; I53-T55 PolarHBondContact O-N 3.23Å; T55-E80 WeakPolarHBondContact CG2-OE1 3.34Å; T55-I84 HydrophobicContact CG2-CD1 4Å
56	S	36.4	Very low	39.9	Very low	106 Å²	106	76.9 Å²	76.9	74%	0.741	44%	0.439	S	S	*	.	S	Bend	trans	-123.7	-3.6	-164.4	68.5	0	0	0	0	115.7	D54	D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact OD1-N 2.97Å; D54-S56 PolarHBondContact OD1-OG 2.83Å
57	S	33.3	Very low	39.2	Very low	38 Å²	38	77.3 Å²	77.3	27%	0.266	44%	0.444	S	S	.	.			trans	-121.1	153.6	-173.2	80.7	0	0	0	0	115.2	D54 L59	D54-S57 VanDerWaalsContact CG-OG 3.3Å; D54-S57 PolarHBondContact OD1-N 3.35Å; D54-S57 WeakPolarHBondContact OD2-CB 3.44Å; D54-S57 PolarHBondContact OD2-OG 3.39Å; S57-L59 VanDerWaalsContact CB-C 3.41Å; S57-L59 WeakPolarHBondContact CB-O 3.2Å; S57-L59 PolarHBondContact O-N 3.14Å; S57-L59 WeakPolarHBondContact OG-CA 3.43Å; S57-L59 PolarHBondContact OG-N 3.21Å; S57-L59 PolarHBondContact OG-O 3.14Å
58	N	38.8	Very low	38.9	Very low	137 Å²	137	84.2 Å²	84.2	73%	0.733	48%	0.479	S	S	*	.	S	Bend	trans	-81.7	50	150.5	-70.1	-31.4	0	0	0	109.4	K87	N58-K87 PolarHBondContact OD1-NZ 3.03Å
59	L	31.3	Very low	38.9	Very low	157 Å²	157	85.1 Å²	85.1	82%	0.822	49%	0.488	S	S	*	.	S	Bend	trans	93.9	152.9	-170.9	-55.2	159	0	0	0	116.3	S57	S57-L59 VanDerWaalsContact CB-C 3.41Å; S57-L59 WeakPolarHBondContact CB-O 3.2Å; S57-L59 PolarHBondContact O-N 3.14Å; S57-L59 WeakPolarHBondContact OG-CA 3.43Å; S57-L59 PolarHBondContact OG-N 3.21Å; S57-L59 PolarHBondContact OG-O 3.14Å
60	P	32.5	Very low	39.2	Very low	119 Å²	119	81.9 Å²	81.9	77%	0.773	47%	0.47	S	S	*	.				-89	137.7	-101.4	33.6	-16	0	0	0	115.1	D54	D54-P60 VanDerWaalsContact OD2-C 3.29Å; D54-P60 WeakPolarHBondContact OD2-CA 3.43Å
61	G	33.6	Very low	39.4	Very low	25 Å²	25	83 Å²	83	26%	0.258	47%	0.47	S	S	.	.			trans	-126.3	165.3	169.9	0	0	0	0	0	111	D54 S63	D54-G61 PolarHBondContact OD2-N 3.37Å; G61-S63 PolarHBondContact O-N 3.06Å; G61-S63 VanDerWaalsContact O-N 3.16Å; G61-S63 PolarHBondContact O-OG 3.45Å
62	P	33.2	Very low	39.8	Very low	140 Å²	140	88.1 Å²	88.1	91%	0.909	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-63	117.1	-158	27.4	-34.8	0	0	0	111.5
63	S	35.4	Very low	40.5	Very low	28 Å²	28	86.8 Å²	86.8	20%	0.196	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-91.6	150.6	-168.2	4	0	0	0	0	111.2	E52 G61	E52-S63 VanDerWaalsContact CA-CB 3.5Å; E52-S63 VanDerWaalsContact CB-OG 3.28Å; E52-S63 WeakPolarHBondContact CB-OG 3.26Å; E52-S63 VanDerWaalsContact CG-CB 3.42Å; E52-S63 WeakPolarHBondContact OE2-CB 2.95Å; E52-S63 PolarHBondContact OE2-OG 2.56Å; G61-S63 PolarHBondContact O-N 3.06Å; G61-S63 VanDerWaalsContact O-N 3.16Å; G61-S63 PolarHBondContact O-OG 3.45Å
64	R	35.7	Very low	41.2	Very low	214 Å²	214	85.7 Å²	85.7	81%	0.808	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.3	-179.6	-73.1	-179.9	171.8	-177.9	-1.6	109.6	G51 L66	G51-R64 CarbonylContact O-C 3.25Å; R64-L66 PolarHBondContact O-N 2.7Å
65	L	36.5	Very low	42.1	Very low	148 Å²	148	89 Å²	89	78%	0.775	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	120.3	170.7	-69.8	169.1	0	0	0	111.2	G51	G51-L65 CarbonylContact O-C 3.58Å; G51-L65 VanDerWaalsContact O-CA 3.29Å; G51-L65 WeakPolarHBondContact O-CA 3.32Å
66	L	43.5	Very low	43	Very low	27 Å²	27	88.8 Å²	88.8	14%	0.141	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-96.9	132.6	173	-61.8	-179.8	0	0	0	109.5	G51 I53 R64 F70 F73	G51-L66 WeakPolarHBondContact O-CB 3.34Å; G51-L66 WeakPolarHBondContact O-CG 3.15Å; G51-L66 PolarHBondContact O-N 2.85Å; I53-L66 HydrophobicContact CD1-CD1 3.64Å; I53-L66 HydrophobicContact CG1-CD1 3.72Å; R64-L66 PolarHBondContact O-N 2.7Å; L66-F70 HydrophobicContact CD1-CD2 4.46Å; L66-F70 HydrophobicContact CD1-CE2 4.34Å; L66-F73 HydrophobicContact CD1-CD1 3.33Å; L66-F73 HydrophobicContact CD1-CE1 3.34Å; L66-F73 HydrophobicContact CD1-CE2 4.48Å; L66-F73 HydrophobicContact CD1-CG 3.98Å; L66-F73 HydrophobicContact CD1-CZ 3.95Å; L66-F73 HydrophobicContact CD2-CD1 3.82Å; L66-F73 HydrophobicContact CD2-CD2 3.47Å; L66-F73 VanDerWaalsContact CD2-CD2 3.47Å; L66-F73 HydrophobicContact CD2-CE1 3.57Å; L66-F73 HydrophobicContact CD2-CE2 3.14Å; L66-F73 HydrophobicContact CD2-CG 3.8Å; L66-F73 HydrophobicContact CD2-CZ 3.22Å; L66-F73 HydrophobicContact CG-CD1 4.09Å; L66-F73 HydrophobicContact CG-CD2 4.43Å; L66-F73 HydrophobicContact CG-CE1 4.06Å; L66-F73 HydrophobicContact CG-CE2 4.36Å; L66-F73 HydrophobicContact CG-CG 4.29Å; L66-F73 HydrophobicContact CG-CZ 4.2Å
67	P	37.7	Very low	44.2	Very low	95 Å²	95	85.9 Å²	85.9	62%	0.617	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-65.5	155.9	179.4	25.6	-30.3	0	0	0	110.7	A69	P67-A69 PolarHBondContact O-N 3.24Å
68	L	42.9	Very low	45.8	Very low	153 Å²	153	87.5 Å²	87.5	80%	0.801	48%	0.482	S	S	*	.	S	Bend	trans	-45.1	5.1	-179.5	-134.7	87.5	0	0	0	117.8	I20	I20-L68 HydrophobicContact CD1-CD2 4.44Å
69	A	49.5	Very low	47.3	Very low	40 Å²	40	86.7 Å²	86.7	33%	0.331	48%	0.478	S	S	.	.			trans	-118.8	65.9	177.3	0	0	0	0	0	110.1	P67 E71 L72 F73	P67-A69 PolarHBondContact O-N 3.24Å; A69-E71 PolarHBondContact O-N 3.39Å; A69-L72 HydrophobicContact CB-CB 3.94Å; A69-L72 HydrophobicContact CB-CD1 3.83Å; A69-L72 HydrophobicContact CB-CG 4.1Å; A69-L72 PolarHBondContact O-N 2.8Å; A69-F73 PolarHBondContact O-N 3.15Å
70	F	55.8	Low	48.9	Very low	19 Å²	19	83.2 Å²	83.2	8%	0.083	46%	0.457	C	S	.	.	H	α-helix	trans	-55.2	-38.9	-179.2	-169.2	-110.4	0	0	0	112.3	V23 T47 L66 L72 F73 I74 Y81	V23-F70 HydrophobicContact CB-CD1 3.97Å; V23-F70 HydrophobicContact CB-CE1 4.31Å; V23-F70 HydrophobicContact CG1-CD1 3.79Å; V23-F70 HydrophobicContact CG1-CE1 3.64Å; V23-F70 HydrophobicContact CG2-CD1 4.12Å; T47-F70 VanDerWaalsContact OG1-CZ 3.32Å; T47-F70 WeakPolarHBondContact OG1-CZ 3.48Å; L66-F70 HydrophobicContact CD1-CD2 4.46Å; L66-F70 HydrophobicContact CD1-CE2 4.34Å; F70-L72 PolarHBondContact O-N 3.3Å; F70-F73 PolarHBondContact O-N 2.7Å; F70-F73 VanDerWaalsContact O-N 3.17Å; F70-I74 HydrophobicContact CD1-CD1 3.53Å; F70-I74 HydrophobicContact CD1-CG1 4.19Å; F70-I74 HydrophobicContact CE1-CD1 3.41Å; F70-I74 VanDerWaalsContact CE1-CD1 3.41Å; F70-I74 HydrophobicContact CE1-CG1 4.06Å; F70-I74 HydrophobicContact CG-CD1 4.38Å; F70-I74 HydrophobicContact CZ-CD1 4.16Å; F70-I74 HydrophobicContact CZ-CG1 4.37Å; F70-I74 WeakPolarHBondContact O-CG1 3.32Å; F70-I74 PolarHBondContact O-N 2.79Å; F70-Y81 WeakPolarHBondContact CE2-OH 3.44Å; F70-Y81 HydrophobicContact CZ-CE1 4.18Å; F70-Y81 VanDerWaalsContact CZ-OH 3.26Å; F70-Y81 WeakPolarHBondContact CZ-OH 3.18Å
71	E	50.9	Low	50.4	Low	72 Å²	72	77.8 Å²	77.8	34%	0.336	42%	0.421	S	S	.	.	H	α-helix	trans	-58	-47.6	172.5	-68.3	-177	158.4	0	0	112.6	S22 V23 A69 F73 I74 L75 N117	S22-E71 WeakPolarHBondContact CB-OE1 3.24Å; S22-E71 PolarHBondContact OG-OE1 2.81Å; V23-E71 HydrophobicContact CG2-CG 3.6Å; A69-E71 PolarHBondContact O-N 3.39Å; E71-F73 VanDerWaalsContact C-N 3.27Å; E71-F73 PolarHBondContact O-N 3.45Å; E71-I74 PolarHBondContact O-N 3.06Å; E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 VanDerWaalsContact O-CG 3.29Å; E71-L75 WeakPolarHBondContact O-CG 3.5Å; E71-L75 PolarHBondContact O-N 3.42Å; E71-N117 PolarHBondContact OE1-ND2 3.42Å
72	L	50.5	Low	52.2	Low	119 Å²	119	78.8 Å²	78.8	62%	0.623	42%	0.419	S	S	*	.	H	α-helix	trans	-66.3	-32.5	177.4	-70.1	178.4	0	0	0	111.5	A69 F70 A76	A69-L72 HydrophobicContact CB-CB 3.94Å; A69-L72 HydrophobicContact CB-CD1 3.83Å; A69-L72 HydrophobicContact CB-CG 4.1Å; A69-L72 PolarHBondContact O-N 2.8Å; F70-L72 PolarHBondContact O-N 3.3Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 2.95Å
73	F	53.5	Low	53.9	Low	43 Å²	43	80.8 Å²	80.8	19%	0.189	41%	0.408	C	S	.	.	H	α-helix	trans	-70.6	-42.4	175.7	-177	-95	0	0	0	111.9	I53 L66 A69 F70 E71 L75 A76 N77 Y81	I53-F73 HydrophobicContact CD1-CD1 4.32Å; I53-F73 HydrophobicContact CD1-CE1 3.54Å; I53-F73 HydrophobicContact CD1-CZ 4.39Å; L66-F73 HydrophobicContact CD1-CD1 3.33Å; L66-F73 HydrophobicContact CD1-CE1 3.34Å; L66-F73 HydrophobicContact CD1-CE2 4.48Å; L66-F73 HydrophobicContact CD1-CG 3.98Å; L66-F73 HydrophobicContact CD1-CZ 3.95Å; L66-F73 HydrophobicContact CD2-CD1 3.82Å; L66-F73 HydrophobicContact CD2-CD2 3.47Å; L66-F73 VanDerWaalsContact CD2-CD2 3.47Å; L66-F73 HydrophobicContact CD2-CE1 3.57Å; L66-F73 HydrophobicContact CD2-CE2 3.14Å; L66-F73 HydrophobicContact CD2-CG 3.8Å; L66-F73 HydrophobicContact CD2-CZ 3.22Å; L66-F73 HydrophobicContact CG-CD1 4.09Å; L66-F73 HydrophobicContact CG-CD2 4.43Å; L66-F73 HydrophobicContact CG-CE1 4.06Å; L66-F73 HydrophobicContact CG-CE2 4.36Å; L66-F73 HydrophobicContact CG-CG 4.29Å; L66-F73 HydrophobicContact CG-CZ 4.2Å; A69-F73 PolarHBondContact O-N 3.15Å; F70-F73 PolarHBondContact O-N 2.7Å; F70-F73 VanDerWaalsContact O-N 3.17Å; E71-F73 VanDerWaalsContact C-N 3.27Å; E71-F73 PolarHBondContact O-N 3.45Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-A76 PolarHBondContact O-N 2.91Å; F73-N77 VanDerWaalsContact CD2-ND2 3.26Å; F73-N77 WeakPolarHBondContact CD2-ND2 3.37Å; F73-N77 HydrophobicContact CE1-CB 4.3Å; F73-N77 WeakPolarHBondContact CE2-ND2 3.29Å; F73-N77 HydrophobicContact CZ-CB 4.21Å; F73-N77 VanDerWaalsContact CZ-ND2 3.27Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.41Å; F73-N77 WeakPolarHBondContact O-CB 3.26Å; F73-N77 PolarHBondContact O-N 2.96Å; F73-N77 PolarHBondContact O-ND2 3.45Å; F73-Y81 AromaticContact CD1-CE2 3.42Å; F73-Y81 HydrophobicContact CD1-CE2 3.42Å; F73-Y81 VanDerWaalsContact CD1-CE2 3.42Å; F73-Y81 AromaticContact CD1-CZ 3.86Å; F73-Y81 WeakPolarHBondContact CD1-OH 3.35Å; F73-Y81 HydrophobicContact CE1-CD2 4.37Å; F73-Y81 AromaticContact CE1-CE2 3.34Å; F73-Y81 HydrophobicContact CE1-CE2 3.34Å; F73-Y81 AromaticContact CE1-CZ 3.89Å
74	I	57.5	Low	55.4	Low	0 Å²	0	81.1 Å²	81.1	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-43.3	172.9	-60.3	161.6	0	0	0	109.7	V23 F70 E71 A76 N77 Y78 Y81 M111 L114 M115	V23-I74 HydrophobicContact CG1-CD1 4.17Å; V23-I74 HydrophobicContact CG2-CD1 4.4Å; F70-I74 HydrophobicContact CD1-CD1 3.53Å; F70-I74 HydrophobicContact CD1-CG1 4.19Å; F70-I74 HydrophobicContact CE1-CD1 3.41Å; F70-I74 VanDerWaalsContact CE1-CD1 3.41Å; F70-I74 HydrophobicContact CE1-CG1 4.06Å; F70-I74 HydrophobicContact CG-CD1 4.38Å; F70-I74 HydrophobicContact CZ-CD1 4.16Å; F70-I74 HydrophobicContact CZ-CG1 4.37Å; F70-I74 WeakPolarHBondContact O-CG1 3.32Å; F70-I74 PolarHBondContact O-N 2.79Å; E71-I74 PolarHBondContact O-N 3.06Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 2.87Å; I74-N77 CarbonylContact O-C 3.31Å; I74-N77 VanDerWaalsContact O-C 3.25Å; I74-N77 PolarHBondContact O-N 2.97Å; I74-Y78 WeakPolarHBondContact O-CA 3.47Å; I74-Y78 WeakPolarHBondContact O-CB 3.11Å; I74-Y78 PolarHBondContact O-N 3.22Å; I74-Y81 HydrophobicContact CB-CD2 4.23Å; I74-Y81 HydrophobicContact CB-CE2 4.11Å; I74-Y81 HydrophobicContact CG1-CD1 4.41Å; I74-Y81 HydrophobicContact CG1-CD2 4.13Å; I74-Y81 HydrophobicContact CG1-CE1 4.02Å; I74-Y81 HydrophobicContact CG1-CE2 3.68Å; I74-Y81 HydrophobicContact CG1-CG 4.41Å; I74-Y81 HydrophobicContact CG2-CD2 4.04Å; I74-Y81 HydrophobicContact CG2-CE2 4.4Å; I74-Y81 HydrophobicContact CG2-CG 4.1Å; I74-M111 HydrophobicContact CG2-CE 3.55Å; I74-L114 HydrophobicContact CD1-CD2 4.29Å; I74-M115 HydrophobicContact CB-CE 3.58Å; I74-M115 HydrophobicContact CD1-CE 4.4Å; I74-M115 HydrophobicContact CG2-CE 3.14Å
75	L	59.1	Low	56.8	Low	104 Å²	104	71.2 Å²	71.2	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-40.9	175.9	-71.7	172.1	0	0	0	112.2	E71 F73 N77 M115	E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 VanDerWaalsContact O-CG 3.29Å; E71-L75 WeakPolarHBondContact O-CG 3.5Å; E71-L75 PolarHBondContact O-N 3.42Å; F73-L75 VanDerWaalsContact C-N 3.34Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 3Å; L75-M115 HydrophobicContact CD2-CE 4.06Å; L75-M115 HydrophobicContact CD2-SD 4.2Å; L75-M115 HydrophobicContact CG-CE 4.21Å; L75-M115 HydrophobicContact CG-SD 4.45Å
76	A	54.9	Low	58.4	Low	80 Å²	80	68 Å²	68	66%	0.661	35%	0.352	S	S	*	.	H	α-helix	trans	-70.2	-24.1	178	0	0	0	0	0	113.3	L72 F73 I74	L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 2.95Å; F73-A76 PolarHBondContact O-N 2.91Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 2.87Å
77	N	63	Low	59.4	Low	45 Å²	45	72 Å²	72	24%	0.241	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	32.1	-177.1	-56.9	-89.1	0	0	0	111.3	F73 I74 L75 D79 E80 Y81	F73-N77 VanDerWaalsContact CD2-ND2 3.26Å; F73-N77 WeakPolarHBondContact CD2-ND2 3.37Å; F73-N77 HydrophobicContact CE1-CB 4.3Å; F73-N77 WeakPolarHBondContact CE2-ND2 3.29Å; F73-N77 HydrophobicContact CZ-CB 4.21Å; F73-N77 VanDerWaalsContact CZ-ND2 3.27Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.41Å; F73-N77 WeakPolarHBondContact O-CB 3.26Å; F73-N77 PolarHBondContact O-N 2.96Å; F73-N77 PolarHBondContact O-ND2 3.45Å; I74-N77 CarbonylContact O-C 3.31Å; I74-N77 VanDerWaalsContact O-C 3.25Å; I74-N77 PolarHBondContact O-N 2.97Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 3Å; N77-D79 VanDerWaalsContact C-N 3.27Å; N77-D79 PolarHBondContact O-N 2.62Å; N77-E80 HydrophobicContact CB-CB 4.33Å; N77-E80 WeakPolarHBondContact O-CB 3.37Å; N77-E80 PolarHBondContact O-N 3.33Å; N77-Y81 HydrophobicContact CB-CD2 4.18Å; N77-Y81 HydrophobicContact CB-CE2 4.48Å; N77-Y81 PolarHBondContact O-N 2.82Å
78	Y	67.1	Low	60.6	Low	73 Å²	73	68.7 Å²	68.7	29%	0.286	34%	0.344	S	S	.	.	H	α-helix	trans	-56.5	-43.4	-170.3	-178.8	-90.6	0	0	0	111.6	I74 E80 Y81 K82 M111	I74-Y78 WeakPolarHBondContact O-CA 3.47Å; I74-Y78 WeakPolarHBondContact O-CB 3.11Å; I74-Y78 PolarHBondContact O-N 3.22Å; Y78-E80 VanDerWaalsContact C-N 3.33Å; Y78-E80 PolarHBondContact O-N 2.61Å; Y78-Y81 PolarHBondContact O-N 3.26Å; Y78-K82 HydrophobicContact CE1-CB 4.45Å; Y78-K82 HydrophobicContact CE1-CD 4.12Å; Y78-K82 WeakPolarHBondContact O-CB 2.97Å; Y78-K82 PolarHBondContact O-N 3.2Å; Y78-M111 HydrophobicContact CD2-CE 3.95Å; Y78-M111 HydrophobicContact CE2-CB 4.15Å; Y78-M111 HydrophobicContact CE2-CE 3.82Å
79	D	69.1	Low	61.7	Low	119 Å²	119	64.9 Å²	64.9	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-64.4	-35.8	178.4	-68.5	-28.4	0	0	0	112.8	N77 R83	N77-D79 VanDerWaalsContact C-N 3.27Å; N77-D79 PolarHBondContact O-N 2.62Å; D79-R83 WeakPolarHBondContact O-CB 3.05Å; D79-R83 VanDerWaalsContact O-CG 3.25Å; D79-R83 WeakPolarHBondContact O-CG 3.46Å; D79-R83 PolarHBondContact O-N 3.08Å
80	E	65.6	Low	62.5	Low	85 Å²	85	66.6 Å²	66.6	40%	0.397	33%	0.329	S	S	.	.	H	α-helix	trans	-72	-45.6	178.1	-173.4	168.9	-164.8	0	0	110.8	T55 N77 Y78 R83 I84	T55-E80 WeakPolarHBondContact CG2-OE1 3.34Å; N77-E80 HydrophobicContact CB-CB 4.33Å; N77-E80 WeakPolarHBondContact O-CB 3.37Å; N77-E80 PolarHBondContact O-N 3.33Å; Y78-E80 VanDerWaalsContact C-N 3.33Å; Y78-E80 PolarHBondContact O-N 2.61Å; E80-R83 PolarHBondContact O-N 3.44Å; E80-I84 HydrophobicContact CG-CD1 4.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 3.14Å
81	Y	64.2	Low	62.8	Low	4 Å²	4	69.7 Å²	69.7	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-44.2	173.6	-90.3	-84.6	0	0	0	112.6	L44 I53 F70 F73 I74 N77 Y78 R83 I84 Q85	L44-Y81 HydrophobicContact CD2-CD1 4.24Å; L44-Y81 HydrophobicContact CD2-CE1 4.11Å; I53-Y81 HydrophobicContact CD1-CD2 4.49Å; I53-Y81 HydrophobicContact CD1-CE1 3.62Å; I53-Y81 HydrophobicContact CD1-CE2 3.62Å; I53-Y81 WeakPolarHBondContact CD1-OH 3.27Å; I53-Y81 HydrophobicContact CG1-CE1 4.45Å; F70-Y81 WeakPolarHBondContact CE2-OH 3.44Å; F70-Y81 HydrophobicContact CZ-CE1 4.18Å; F70-Y81 VanDerWaalsContact CZ-OH 3.26Å; F70-Y81 WeakPolarHBondContact CZ-OH 3.18Å; F73-Y81 AromaticContact CD1-CE2 3.42Å; F73-Y81 HydrophobicContact CD1-CE2 3.42Å; F73-Y81 VanDerWaalsContact CD1-CE2 3.42Å; F73-Y81 AromaticContact CD1-CZ 3.86Å; F73-Y81 WeakPolarHBondContact CD1-OH 3.35Å; F73-Y81 HydrophobicContact CE1-CD2 4.37Å; F73-Y81 AromaticContact CE1-CE2 3.34Å; F73-Y81 HydrophobicContact CE1-CE2 3.34Å; F73-Y81 AromaticContact CE1-CZ 3.89Å; I74-Y81 HydrophobicContact CB-CD2 4.23Å; I74-Y81 HydrophobicContact CB-CE2 4.11Å; I74-Y81 HydrophobicContact CG1-CD1 4.41Å; I74-Y81 HydrophobicContact CG1-CD2 4.13Å; I74-Y81 HydrophobicContact CG1-CE1 4.02Å; I74-Y81 HydrophobicContact CG1-CE2 3.68Å; I74-Y81 HydrophobicContact CG1-CG 4.41Å; I74-Y81 HydrophobicContact CG2-CD2 4.04Å; I74-Y81 HydrophobicContact CG2-CE2 4.4Å; I74-Y81 HydrophobicContact CG2-CG 4.1Å; N77-Y81 HydrophobicContact CB-CD2 4.18Å; N77-Y81 HydrophobicContact CB-CE2 4.48Å; N77-Y81 PolarHBondContact O-N 2.82Å; Y78-Y81 PolarHBondContact O-N 3.26Å; Y81-R83 VanDerWaalsContact C-N 3.29Å; Y81-R83 PolarHBondContact O-N 2.81Å; Y81-I84 PolarHBondContact O-N 2.79Å; Y81-I84 VanDerWaalsContact O-N 3.14Å; Y81-Q85 WeakPolarHBondContact O-CB 3.44Å; Y81-Q85 WeakPolarHBondContact O-CG 3.5Å; Y81-Q85 PolarHBondContact O-N 2.93Å
82	K	70.3	Confident	63.3	Low	47 Å²	47	67.2 Å²	67.2	20%	0.204	33%	0.334	C	S	.	.	H	α-helix	trans	-56.6	-45.7	175.9	177.3	174	169.6	166.2	0	110.4	Y78 I84 Q85 E86 D108	Y78-K82 HydrophobicContact CE1-CB 4.45Å; Y78-K82 HydrophobicContact CE1-CD 4.12Å; Y78-K82 WeakPolarHBondContact O-CB 2.97Å; Y78-K82 PolarHBondContact O-N 3.2Å; K82-I84 PolarHBondContact O-N 3.05Å; K82-Q85 PolarHBondContact O-N 3.26Å; K82-E86 WeakPolarHBondContact CE-OE1 3.46Å; K82-E86 HydrophobicContact CG-CG 4.36Å; K82-E86 WeakPolarHBondContact O-CB 3.47Å; K82-E86 VanDerWaalsContact O-CG 3.29Å; K82-E86 WeakPolarHBondContact O-CG 3.39Å; K82-E86 PolarHBondContact O-N 3.03Å; K82-D108 WeakPolarHBondContact CD-OD1 3.5Å; K82-D108 WeakPolarHBondContact CE-OD1 3.18Å; K82-D108 IonicContact NZ-OD1 3Å; K82-D108 PolarHBondContact NZ-OD1 3.04Å; K82-D108 IonicContact NZ-OD2 2.69Å; K82-D108 PolarHBondContact NZ-OD2 3.45Å
83	R	68.5	Low	64.1	Low	181 Å²	181	64.4 Å²	64.4	68%	0.683	32%	0.318	S	S	*	.	H	α-helix	trans	-61.3	-41.3	175.6	-77.1	174.6	-178.7	-174.1	3.7	113	D79 E80 Y81 K87	D79-R83 WeakPolarHBondContact O-CB 3.05Å; D79-R83 VanDerWaalsContact O-CG 3.25Å; D79-R83 WeakPolarHBondContact O-CG 3.46Å; D79-R83 PolarHBondContact O-N 3.08Å; E80-R83 PolarHBondContact O-N 3.44Å; Y81-R83 VanDerWaalsContact C-N 3.29Å; Y81-R83 PolarHBondContact O-N 2.81Å; R83-K87 PolarHBondContact O-N 2.94Å
84	I	67.1	Low	64.6	Low	36 Å²	36	66.6 Å²	66.6	19%	0.185	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-46.5	176.2	-67.7	165.3	0	0	0	109.9	I53 T55 E80 Y81 K82 K87 I88	I53-I84 HydrophobicContact CG2-CD1 3.95Å; T55-I84 HydrophobicContact CG2-CD1 4Å; E80-I84 HydrophobicContact CG-CD1 4.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 3.14Å; Y81-I84 PolarHBondContact O-N 2.79Å; Y81-I84 VanDerWaalsContact O-N 3.14Å; K82-I84 PolarHBondContact O-N 3.05Å; I84-K87 PolarHBondContact O-N 3.18Å; I84-I88 HydrophobicContact CG2-CD1 3.75Å; I84-I88 HydrophobicContact CG2-CG1 4.49Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.2Å; I84-I88 PolarHBondContact O-N 3.39Å
85	Q	65.6	Low	64.7	Low	6 Å²	6	74.8 Å²	74.8	3%	0.028	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-42.5	177.4	-70.3	-56	-35.8	0	0	112.1	Y81 K82 K87 I88 W89 P107 M111	Y81-Q85 WeakPolarHBondContact O-CB 3.44Å; Y81-Q85 WeakPolarHBondContact O-CG 3.5Å; Y81-Q85 PolarHBondContact O-N 2.93Å; K82-Q85 PolarHBondContact O-N 3.26Å; Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 2.67Å; Q85-I88 PolarHBondContact O-N 2.79Å; Q85-W89 WeakPolarHBondContact O-CB 3.25Å; Q85-W89 PolarHBondContact O-N 3.48Å; Q85-P107 HydrophobicContact CB-CB 4.43Å; Q85-M111 HydrophobicContact CG-SD 3.81Å
86	E	70.4	Confident	64.8	Low	81 Å²	81	72.4 Å²	72.4	38%	0.379	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-44.5	173.8	-77.8	172.4	171.7	0	0	112	K82 W89 S90 P107	K82-E86 WeakPolarHBondContact CE-OE1 3.46Å; K82-E86 HydrophobicContact CG-CG 4.36Å; K82-E86 WeakPolarHBondContact O-CB 3.47Å; K82-E86 VanDerWaalsContact O-CG 3.29Å; K82-E86 WeakPolarHBondContact O-CG 3.39Å; K82-E86 PolarHBondContact O-N 3.03Å; E86-W89 PolarHBondContact O-N 2.82Å; E86-S90 WeakPolarHBondContact O-CB 3.44Å; E86-S90 PolarHBondContact O-N 3.41Å; E86-P107 HydrophobicContact CB-CG 4.24Å; E86-P107 HydrophobicContact CG-CB 3.71Å; E86-P107 HydrophobicContact CG-CG 3.7Å
87	K	65.2	Low	65.2	Low	109 Å²	109	75.8 Å²	75.8	47%	0.474	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-46.4	177	-172.8	-177.8	176.4	-166.8	0	111.2	N58 R83 I84 Q85 S90 I91	N58-K87 PolarHBondContact OD1-NZ 3.03Å; R83-K87 PolarHBondContact O-N 2.94Å; I84-K87 PolarHBondContact O-N 3.18Å; Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 2.67Å; K87-S90 PolarHBondContact O-N 3.45Å; K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 VanDerWaalsContact O-CG1 3.31Å; K87-I91 WeakPolarHBondContact O-CG1 3.37Å; K87-I91 PolarHBondContact O-N 2.85Å; K87-I91 VanDerWaalsContact O-N 3.12Å
88	I	61.1	Low	65.2	Low	26 Å²	26	76.8 Å²	76.8	13%	0.133	38%	0.377	C	S	.	.	H	α-helix	trans	-64.6	-45.2	178.8	-64.8	165.2	0	0	0	110.4	P40 T43 I84 Q85 S90 I91 M92	P40-I88 HydrophobicContact CB-CB 4.34Å; P40-I88 HydrophobicContact CB-CG2 3.57Å; P40-I88 HydrophobicContact CG-CG2 3.86Å; T43-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 HydrophobicContact CG2-CD1 3.75Å; I84-I88 HydrophobicContact CG2-CG1 4.49Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.2Å; I84-I88 PolarHBondContact O-N 3.39Å; Q85-I88 PolarHBondContact O-N 2.79Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.85Å; I88-I91 PolarHBondContact O-N 2.69Å; I88-M92 HydrophobicContact CG2-CG 4.31Å; I88-M92 WeakPolarHBondContact O-CG 3.26Å; I88-M92 PolarHBondContact O-N 2.66Å
89	W	67.4	Low	65	Low	74 Å²	74	79 Å²	79	28%	0.28	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-44.3	177.6	-171.8	94.2	0	0	0	111.6	Q85 E86 I91 M92 M93 P104 P105 P107	Q85-W89 WeakPolarHBondContact O-CB 3.25Å; Q85-W89 PolarHBondContact O-N 3.48Å; E86-W89 PolarHBondContact O-N 2.82Å; W89-I91 PolarHBondContact O-N 3.29Å; W89-M92 PolarHBondContact O-N 2.88Å; W89-M93 HydrophobicContact CD2-CG 3.6Å; W89-M93 VanDerWaalsContact CE2-CG 3.45Å; W89-M93 HydrophobicContact CE3-CB 4.36Å; W89-M93 HydrophobicContact CE3-CG 3.77Å; W89-M93 HydrophobicContact CG-CG 4.32Å; W89-M93 HydrophobicContact CH2-CE 4.33Å; W89-M93 HydrophobicContact CH2-CG 3.7Å; W89-M93 HydrophobicContact CZ2-CE 4.18Å; W89-M93 HydrophobicContact CZ2-CG 3.53Å; W89-M93 HydrophobicContact CZ2-SD 4.05Å; W89-M93 HydrophobicContact CZ3-CB 4.33Å; W89-M93 HydrophobicContact CZ3-CG 3.81Å; W89-M93 WeakPolarHBondContact O-CB 3.33Å; W89-M93 WeakPolarHBondContact O-CG 3.35Å; W89-M93 PolarHBondContact O-N 2.88Å; W89-P104 PolarHBondContact NE1-O 3.17Å; W89-P105 VanDerWaalsContact CD1-O 3.23Å; W89-P105 PolarHBondContact NE1-O 3.42Å; W89-P107 HydrophobicContact CB-CG 3.76Å; W89-P107 HydrophobicContact CD2-CG 4.21Å; W89-P107 HydrophobicContact CG-CG 3.84Å
90	S	66.6	Low	64.9	Low	75 Å²	75	80.4 Å²	80.4	52%	0.524	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-44.1	175.4	-175.8	0	0	0	0	112.3	E86 K87 I88 A94	E86-S90 WeakPolarHBondContact O-CB 3.44Å; E86-S90 PolarHBondContact O-N 3.41Å; K87-S90 PolarHBondContact O-N 3.45Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.85Å; S90-A94 WeakPolarHBondContact O-CB 3.19Å; S90-A94 PolarHBondContact O-N 2.87Å
91	I	61.6	Low	64.7	Low	84 Å²	84	77.5 Å²	77.5	43%	0.431	40%	0.397	S	S	.	.	H	α-helix	trans	-63.9	-41.7	177.2	-67.6	165.2	0	0	0	111.3	K87 I88 W89	K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 VanDerWaalsContact O-CG1 3.31Å; K87-I91 WeakPolarHBondContact O-CG1 3.37Å; K87-I91 PolarHBondContact O-N 2.85Å; K87-I91 VanDerWaalsContact O-N 3.12Å; I88-I91 PolarHBondContact O-N 2.69Å; W89-I91 PolarHBondContact O-N 3.29Å
92	M	61	Low	64.9	Low	20 Å²	20	80.9 Å²	80.9	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-67.1	-49.1	177.6	-74.1	-159.1	-53.5	0	0	112.1	V37 A39 P40 I88 W89 A94 K95 Y96	V37-M92 HydrophobicContact CG1-CE 4.37Å; V37-M92 HydrophobicContact CG2-CE 4.29Å; A39-M92 HydrophobicContact CB-CG 4.23Å; A39-M92 HydrophobicContact CB-SD 4.06Å; P40-M92 WeakPolarHBondContact CD-SD 3.37Å; P40-M92 HydrophobicContact CG-CE 3.34Å; P40-M92 HydrophobicContact CG-SD 3.62Å; I88-M92 HydrophobicContact CG2-CG 4.31Å; I88-M92 WeakPolarHBondContact O-CG 3.26Å; I88-M92 PolarHBondContact O-N 2.66Å; W89-M92 PolarHBondContact O-N 2.88Å; M92-A94 PolarHBondContact O-N 3.39Å; M92-K95 CarbonylContact O-C 3.43Å; M92-K95 WeakPolarHBondContact O-CA 3.49Å; M92-K95 PolarHBondContact O-N 2.81Å; M92-Y96 WeakPolarHBondContact O-CB 2.99Å; M92-Y96 PolarHBondContact O-N 2.93Å
93	M	66.4	Low	64.8	Low	60 Å²	60	82.5 Å²	82.5	30%	0.296	43%	0.434	S	S	.	.	H	α-helix	trans	-62.3	-34.6	-178.6	-76.5	-58.1	-70.6	0	0	112.1	W89 K95 Y96 P103 P104	W89-M93 HydrophobicContact CD2-CG 3.6Å; W89-M93 VanDerWaalsContact CE2-CG 3.45Å; W89-M93 HydrophobicContact CE3-CB 4.36Å; W89-M93 HydrophobicContact CE3-CG 3.77Å; W89-M93 HydrophobicContact CG-CG 4.32Å; W89-M93 HydrophobicContact CH2-CE 4.33Å; W89-M93 HydrophobicContact CH2-CG 3.7Å; W89-M93 HydrophobicContact CZ2-CE 4.18Å; W89-M93 HydrophobicContact CZ2-CG 3.53Å; W89-M93 HydrophobicContact CZ2-SD 4.05Å; W89-M93 HydrophobicContact CZ3-CB 4.33Å; W89-M93 HydrophobicContact CZ3-CG 3.81Å; W89-M93 WeakPolarHBondContact O-CB 3.33Å; W89-M93 WeakPolarHBondContact O-CG 3.35Å; W89-M93 PolarHBondContact O-N 2.88Å; M93-K95 PolarHBondContact O-N 3.33Å; M93-Y96 PolarHBondContact O-N 3.3Å; M93-Y96 HydrophobicContact SD-CG 4.39Å; M93-P103 HydrophobicContact CE-CB 4.33Å; M93-P104 HydrophobicContact CG-CG 4.1Å; M93-P104 WeakPolarHBondContact SD-CD 3.03Å; M93-P104 HydrophobicContact SD-CG 3.2Å; M93-P104 WeakPolarHBondContact SD-CG 3.46Å
94	A	65.4	Low	64.8	Low	90 Å²	90	74.2 Å²	74.2	74%	0.744	40%	0.404	S	S	*	.	H	α-helix	trans	-62.7	-25.4	172.3	0	0	0	0	0	113.3	S90 M92	S90-A94 WeakPolarHBondContact O-CB 3.19Å; S90-A94 PolarHBondContact O-N 2.87Å; M92-A94 PolarHBondContact O-N 3.39Å
95	K	58.8	Low	65	Low	171 Å²	171	73 Å²	73	74%	0.743	40%	0.398	S	S	*	.	H	α-helix	trans	-105.8	-1.7	178.6	-64.5	-178.8	179.9	-179.4	0	113	M92 M93 N97	M92-K95 CarbonylContact O-C 3.43Å; M92-K95 WeakPolarHBondContact O-CA 3.49Å; M92-K95 PolarHBondContact O-N 2.81Å; M93-K95 PolarHBondContact O-N 3.33Å; K95-N97 PolarHBondContact O-N 3.41Å; K95-N97 VanDerWaalsContact O-N 3.15Å
96	Y	61.6	Low	65.5	Low	54 Å²	54	75.1 Å²	75.1	21%	0.212	41%	0.413	C	S	.	.			trans	-75.4	107.3	-174.5	-170.7	-93.3	0	0	0	109.5	M92 M93 N98 S101 P102	M92-Y96 WeakPolarHBondContact O-CB 2.99Å; M92-Y96 PolarHBondContact O-N 2.93Å; M93-Y96 PolarHBondContact O-N 3.3Å; M93-Y96 HydrophobicContact SD-CG 4.39Å; Y96-N98 HydrophobicContact CE2-CB 4.36Å; Y96-N98 PolarHBondContact OH-O 2.79Å; Y96-S101 WeakPolarHBondContact OH-CB 3.41Å; Y96-S101 PolarHBondContact OH-O 2.91Å; Y96-P102 PolarHBondContact OH-O 3.44Å
97	N	62.6	Low	65.5	Low	152 Å²	152	72 Å²	72	81%	0.813	40%	0.399	S	S	*	.			trans	-132.6	33.2	-179.3	-166.1	26.5	0	0	0	111.5	K95 P99	K95-N97 PolarHBondContact O-N 3.41Å; K95-N97 VanDerWaalsContact O-N 3.15Å; N97-P99 VanDerWaalsContact O-CD 3.24Å; N97-P99 WeakPolarHBondContact O-CD 3.29Å
98	N	62.8	Low	66	Low	66 Å²	66	70.4 Å²	70.4	35%	0.353	40%	0.396	S	S	.	.			trans	-101.8	100.7	-179.6	-166.6	-11.8	0	0	0	110.5	Y96 D100 S101	Y96-N98 HydrophobicContact CE2-CB 4.36Å; Y96-N98 PolarHBondContact OH-O 2.79Å; N98-D100 PolarHBondContact O-N 3.45Å; N98-D100 PolarHBondContact OD1-N 3.46Å; N98-D100 VanDerWaalsContact OD1-N 3.16Å; N98-S101 PolarHBondContact ND2-OG 3.23Å; N98-S101 PolarHBondContact O-N 3.41Å
99	P	63.8	Low	66.8	Low	118 Å²	118	74.5 Å²	74.5	77%	0.766	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-20.1	-179.9	28.7	-35.1	0	0	0	113.2	N97 S101	N97-P99 VanDerWaalsContact O-CD 3.24Å; N97-P99 WeakPolarHBondContact O-CD 3.29Å; P99-S101 VanDerWaalsContact C-N 3.34Å
100	D	67.3	Low	67.1	Low	149 Å²	149	71.3 Å²	71.3	80%	0.797	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	2.6	-177.1	-64	-45.9	0	0	0	113.1	N98	N98-D100 PolarHBondContact O-N 3.45Å; N98-D100 PolarHBondContact OD1-N 3.46Å; N98-D100 VanDerWaalsContact OD1-N 3.16Å
101	S	62.2	Low	67.3	Low	24 Å²	24	67.7 Å²	67.7	17%	0.168	38%	0.378	C	S	.	.	S	Bend	trans	-124.7	140.2	178.9	-68.4	0	0	0	0	110.3	Y96 N98 P99	Y96-S101 WeakPolarHBondContact OH-CB 3.41Å; Y96-S101 PolarHBondContact OH-O 2.91Å; N98-S101 PolarHBondContact ND2-OG 3.23Å; N98-S101 PolarHBondContact O-N 3.41Å; P99-S101 VanDerWaalsContact C-N 3.34Å
102	P	68.4	Low	67.9	Low	75 Å²	75	69.1 Å²	69.1	49%	0.487	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-61.4	143.1	172.5	26.8	-32.6	0	0	0	109.2	Y34 Y96	Y34-P102 HydrophobicContact CD1-CG 3.97Å; Y34-P102 HydrophobicContact CE1-CB 4.35Å; Y34-P102 HydrophobicContact CE1-CG 3.87Å; Y96-P102 PolarHBondContact OH-O 3.44Å
103	P	68	Low	68.3	Low	81 Å²	81	69.9 Å²	69.9	53%	0.526	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-56.6	145.3	174.5	26.8	-33.9	0	0	0	109.1	M93	M93-P103 HydrophobicContact CE-CB 4.33Å
104	P	66.9	Low	68.3	Low	7 Å²	7	67.2 Å²	67.2	5%	0.045	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.7	144.4	178.6	30.6	-39.3	0	0	0	110.8	V37 W89 M93	V37-P104 HydrophobicContact CG2-CB 3.25Å; V37-P104 HydrophobicContact CG2-CG 4.41Å; W89-P104 PolarHBondContact NE1-O 3.17Å; M93-P104 HydrophobicContact CG-CG 4.1Å; M93-P104 WeakPolarHBondContact SD-CD 3.03Å; M93-P104 HydrophobicContact SD-CG 3.2Å; M93-P104 WeakPolarHBondContact SD-CG 3.46Å
105	P	72.8	Confident	68.2	Low	10 Å²	10	65.3 Å²	65.3	7%	0.065	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-59.5	146.2	178.1	25	-32.7	0	0	0	109.9	Y34 W89 E109 F110	Y34-P105 HydrophobicContact CE2-CG 4.23Å; W89-P105 VanDerWaalsContact CD1-O 3.23Å; W89-P105 PolarHBondContact NE1-O 3.42Å; P105-E109 HydrophobicContact CB-CB 3.83Å; P105-F110 HydrophobicContact CG-CB 4.24Å; P105-F110 HydrophobicContact CG-CD2 4.49Å
106	P	76.3	Confident	68.7	Low	51 Å²	51	61.5 Å²	61.5	33%	0.331	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-56.3	155.4	173.3	25.2	-33.6	0	0	0	110.5	D108 E109 F110	P106-D108 PolarHBondContact O-N 3.41Å; P106-E109 WeakPolarHBondContact CD-OE2 3.31Å; P106-E109 HydrophobicContact CG-CB 3.97Å; P106-E109 VanDerWaalsContact CG-CD 3.49Å; P106-E109 HydrophobicContact CG-CG 3.77Å; P106-E109 PolarHBondContact O-N 3.2Å; P106-F110 PolarHBondContact O-N 3.17Å
107	P	70.5	Confident	68.4	Low	15 Å²	15	66.6 Å²	66.6	10%	0.097	37%	0.368	C	S	.	.	H	α-helix	trans	-52.5	-35.6	-174.7	-30.2	37	0	0	0	114.5	Q85 E86 W89 F110 M111	Q85-P107 HydrophobicContact CB-CB 4.43Å; E86-P107 HydrophobicContact CB-CG 4.24Å; E86-P107 HydrophobicContact CG-CB 3.71Å; E86-P107 HydrophobicContact CG-CG 3.7Å; W89-P107 HydrophobicContact CB-CG 3.76Å; W89-P107 HydrophobicContact CD2-CG 4.21Å; W89-P107 HydrophobicContact CG-CG 3.84Å; P107-F110 PolarHBondContact O-N 3.44Å; P107-M111 WeakPolarHBondContact O-CB 3.13Å; P107-M111 WeakPolarHBondContact O-CG 2.9Å; P107-M111 PolarHBondContact O-N 3.02Å
108	D	74.2	Confident	68.7	Low	76 Å²	76	62.3 Å²	62.3	41%	0.406	35%	0.345	S	S	.	.	H	α-helix	trans	-65.5	-44.8	176.3	-78.8	-37.7	0	0	0	112.7	K82 P106 M111 Q112	K82-D108 WeakPolarHBondContact CD-OD1 3.5Å; K82-D108 WeakPolarHBondContact CE-OD1 3.18Å; K82-D108 IonicContact NZ-OD1 3Å; K82-D108 PolarHBondContact NZ-OD1 3.04Å; K82-D108 IonicContact NZ-OD2 2.69Å; K82-D108 PolarHBondContact NZ-OD2 3.45Å; P106-D108 PolarHBondContact O-N 3.41Å; D108-M111 PolarHBondContact O-N 2.5Å; D108-Q112 VanDerWaalsContact O-CB 3.29Å; D108-Q112 WeakPolarHBondContact O-CB 3.39Å; D108-Q112 PolarHBondContact O-N 2.86Å
109	E	79	Confident	69	Low	113 Å²	113	62.1 Å²	62.1	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-38.4	175.6	-74.3	177.2	-154.9	0	0	111.2	P105 P106 Q112 E113	P105-E109 HydrophobicContact CB-CB 3.83Å; P106-E109 WeakPolarHBondContact CD-OE2 3.31Å; P106-E109 HydrophobicContact CG-CB 3.97Å; P106-E109 VanDerWaalsContact CG-CD 3.49Å; P106-E109 HydrophobicContact CG-CG 3.77Å; P106-E109 PolarHBondContact O-N 3.2Å; E109-Q112 PolarHBondContact O-N 2.95Å; E109-E113 WeakPolarHBondContact O-CB 3.18Å; E109-E113 PolarHBondContact O-N 3.28Å
110	F	73.6	Confident	69.3	Low	6 Å²	6	59 Å²	59	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-46.9	175.3	179	-82.1	0	0	0	111.5	I30 V37 T41 L44 P105 P106 P107 Q112 E113 L114	I30-F110 HydrophobicContact CB-CE2 4.36Å; I30-F110 HydrophobicContact CD1-CD2 4.31Å; I30-F110 HydrophobicContact CD1-CE2 3.97Å; I30-F110 HydrophobicContact CD1-CZ 4.25Å; I30-F110 HydrophobicContact CG2-CD2 3.91Å; I30-F110 HydrophobicContact CG2-CE2 3.56Å; V37-F110 HydrophobicContact CG1-CD2 4.12Å; V37-F110 HydrophobicContact CG1-CE2 3.74Å; T41-F110 HydrophobicContact CG2-CE2 3.94Å; T41-F110 HydrophobicContact CG2-CZ 4.03Å; L44-F110 HydrophobicContact CD1-CE1 3.31Å; L44-F110 HydrophobicContact CD1-CZ 3.39Å; P105-F110 HydrophobicContact CG-CB 4.24Å; P105-F110 HydrophobicContact CG-CD2 4.49Å; P106-F110 PolarHBondContact O-N 3.17Å; P107-F110 PolarHBondContact O-N 3.44Å; F110-Q112 VanDerWaalsContact C-N 3.33Å; F110-E113 PolarHBondContact O-N 3.03Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 WeakPolarHBondContact O-CB 3.29Å; F110-L114 PolarHBondContact O-N 3.33Å
111	M	70.9	Confident	69.4	Low	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-36.6	178.4	-72.4	-64.9	-66.7	0	0	111.6	I74 Y78 Q85 P107 D108 L114 M115	I74-M111 HydrophobicContact CG2-CE 3.55Å; Y78-M111 HydrophobicContact CD2-CE 3.95Å; Y78-M111 HydrophobicContact CE2-CB 4.15Å; Y78-M111 HydrophobicContact CE2-CE 3.82Å; Q85-M111 HydrophobicContact CG-SD 3.81Å; P107-M111 WeakPolarHBondContact O-CB 3.13Å; P107-M111 WeakPolarHBondContact O-CG 2.9Å; P107-M111 PolarHBondContact O-N 3.02Å; D108-M111 PolarHBondContact O-N 2.5Å; M111-L114 PolarHBondContact O-N 2.83Å; M111-L114 HydrophobicContact SD-CD2 4.48Å; M111-M115 WeakPolarHBondContact O-CB 3.28Å; M111-M115 WeakPolarHBondContact O-CG 3.33Å; M111-M115 PolarHBondContact O-N 3.12Å; M111-M115 VanDerWaalsContact O-N 3.12Å
112	Q	73.7	Confident	69.8	Low	113 Å²	113	55.6 Å²	55.6	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-66.2	-47.9	173.8	-175	175.1	-1.7	0	0	111.1	D108 E109 F110 L114 M115 D116	D108-Q112 VanDerWaalsContact O-CB 3.29Å; D108-Q112 WeakPolarHBondContact O-CB 3.39Å; D108-Q112 PolarHBondContact O-N 2.86Å; E109-Q112 PolarHBondContact O-N 2.95Å; F110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-L114 PolarHBondContact O-N 3.09Å; Q112-M115 CarbonylContact O-C 3.6Å; Q112-M115 PolarHBondContact O-N 3.03Å; Q112-D116 WeakPolarHBondContact CG-OD2 3.49Å; Q112-D116 WeakPolarHBondContact O-CB 3.46Å; Q112-D116 PolarHBondContact O-N 2.72Å
113	E	69.9	Low	69.9	Low	37 Å²	37	54.3 Å²	54.3	17%	0.173	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-34.5	176	-171.1	173.4	-172.3	0	0	110.9	K26 I30 K33 E109 F110 M115	K26-E113 WeakPolarHBondContact CE-O 3.12Å; K26-E113 VanDerWaalsContact CG-O 3.31Å; K26-E113 WeakPolarHBondContact CG-O 3.38Å; I30-E113 HydrophobicContact CD1-CB 4.35Å; I30-E113 HydrophobicContact CD1-CG 4.12Å; I30-E113 HydrophobicContact CG1-CG 4.17Å; K33-E113 IonicContact NZ-OE1 2.69Å; K33-E113 PolarHBondContact NZ-OE1 2.94Å; E109-E113 WeakPolarHBondContact O-CB 3.18Å; E109-E113 PolarHBondContact O-N 3.28Å; F110-E113 PolarHBondContact O-N 3.03Å; E113-M115 VanDerWaalsContact C-N 3.31Å; E113-M115 PolarHBondContact O-N 3.46Å
114	L	66	Low	70.1	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-33.1	175	-163.7	70.8	0	0	0	113	V23 K26 A27 I30 L44 I74 F110 M111 Q112	V23-L114 HydrophobicContact CG1-CD1 3.75Å; V23-L114 HydrophobicContact CG1-CD2 3.94Å; V23-L114 HydrophobicContact CG1-CG 3.87Å; K26-L114 HydrophobicContact CB-CD1 4.36Å; A27-L114 HydrophobicContact CB-CD1 4.39Å; I30-L114 HydrophobicContact CD1-CD1 4.32Å; L44-L114 HydrophobicContact CD1-CD2 4.18Å; L44-L114 HydrophobicContact CD2-CD2 4.29Å; I74-L114 HydrophobicContact CD1-CD2 4.29Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 WeakPolarHBondContact O-CB 3.29Å; F110-L114 PolarHBondContact O-N 3.33Å; M111-L114 PolarHBondContact O-N 2.83Å; M111-L114 HydrophobicContact SD-CD2 4.48Å; Q112-L114 PolarHBondContact O-N 3.09Å
115	M	64	Low	70.3	Confident	50 Å²	50	55.8 Å²	55.8	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-91.7	-22.9	-177.2	-68.9	-69.4	-175.2	0	0	113.7	I74 L75 M111 Q112 E113 N117	I74-M115 HydrophobicContact CB-CE 3.58Å; I74-M115 HydrophobicContact CD1-CE 4.4Å; I74-M115 HydrophobicContact CG2-CE 3.14Å; L75-M115 HydrophobicContact CD2-CE 4.06Å; L75-M115 HydrophobicContact CD2-SD 4.2Å; L75-M115 HydrophobicContact CG-CE 4.21Å; L75-M115 HydrophobicContact CG-SD 4.45Å; M111-M115 WeakPolarHBondContact O-CB 3.28Å; M111-M115 WeakPolarHBondContact O-CG 3.33Å; M111-M115 PolarHBondContact O-N 3.12Å; M111-M115 VanDerWaalsContact O-N 3.12Å; Q112-M115 CarbonylContact O-C 3.6Å; Q112-M115 PolarHBondContact O-N 3.03Å; E113-M115 VanDerWaalsContact C-N 3.31Å; E113-M115 PolarHBondContact O-N 3.46Å; M115-N117 PolarHBondContact O-N 2.85Å; M115-N117 VanDerWaalsContact O-N 3.09Å
116	D	68.7	Low	70.1	Confident	91 Å²	91	59.7 Å²	59.7	49%	0.487	31%	0.308	S	S	.	.			trans	-77.9	89.3	176.2	-75	-14	0	0	0	109.4	K26 Q112	K26-D116 WeakPolarHBondContact CE-O 3.37Å; K26-D116 PolarHBondContact NZ-O 3.44Å; Q112-D116 WeakPolarHBondContact CG-OD2 3.49Å; Q112-D116 WeakPolarHBondContact O-CB 3.46Å; Q112-D116 PolarHBondContact O-N 2.72Å
117	N	54.7	Low	69.6	Low	161 Å²	161	60.5 Å²	60.5	86%	0.861	31%	0.306	S	S	*	.			trans	-62.8	0	169.7	-90.8	-40.3	0	0	0	112.2	S22 E71 M115	S22-N117 WeakPolarHBondContact CB-OD1 3.14Å; E71-N117 PolarHBondContact OE1-ND2 3.42Å; M115-N117 PolarHBondContact O-N 2.85Å; M115-N117 VanDerWaalsContact O-N 3.09Å

Retrieved 117 of 117 residues in 109.9 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).