A0A077ZN21_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN21, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 aa.

						>A0A077ZN21_TRITR|A0A077ZN21
MSTILQLRPWVIIILTIPAYRVTCDTIFKIYLILSMITPTSLVSRVSHKKYTIRDYVMIYRKSQINPYNYYQGYCQKNIYSLMEHYLIFVRNILTSPHFLRIFLLWDNTRCDLVYYNFKRGKSS
					

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(Predicted Aligned Error values between residue pairs)

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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	37.9	Very low	55.8	Low	246 Å²	246	134.4 Å²	134.4	100%	1.212	68%	0.683	S	S	*	*				0	92.5	0	-82.9	174	156.4	0	0	108.5
2	S	41.3	Very low	56.5	Low	100 Å²	100	130.4 Å²	130.4	70%	0.699	66%	0.663	S	S	*	*			trans	-102.1	103.5	173.3	53.9	0	0	0	0	108.3	I4	S2-I4 PolarHBondContact O-N 2.87Å
3	T	44.1	Very low	56.6	Low	132 Å²	132	128 Å²	128	81%	0.81	65%	0.651	S	S	*	*			trans	-69.2	77.4	168.1	37.9	0	0	0	0	108.9	L5	T3-L5 VanDerWaalsContact C-N 3.32Å; T3-L5 PolarHBondContact O-N 2.92Å
4	I	53.6	Low	57	Low	138 Å²	138	125.9 Å²	125.9	71%	0.708	64%	0.641	S	S	*	*			trans	-68.9	98.5	166.7	-63.2	173.3	0	0	0	105.5	S2 Q6	S2-I4 PolarHBondContact O-N 2.87Å; I4-Q6 PolarHBondContact O-N 2.97Å
5	L	56.6	Low	57.4	Low	134 Å²	134	125.3 Å²	125.3	70%	0.702	64%	0.639	S	S	*	*			trans	-50	106.5	170.1	-99.5	95.7	0	0	0	108.2	T3 L7	T3-L5 VanDerWaalsContact C-N 3.32Å; T3-L5 PolarHBondContact O-N 2.92Å; L5-L7 HydrophobicContact CB-CG 4.44Å; L5-L7 HydrophobicContact CD2-CD1 4.48Å; L5-L7 HydrophobicContact CD2-CG 4.34Å; L5-L7 PolarHBondContact O-N 2.81Å
6	Q	58.8	Low	57.6	Low	190 Å²	190	122.1 Å²	122.1	89%	0.888	63%	0.628	S	S	*	*			trans	-71.6	71.1	168.1	-73.4	-175.2	-21.2	0	0	108.9	I4 R8	I4-Q6 PolarHBondContact O-N 2.97Å; Q6-R8 PolarHBondContact O-N 3.28Å
7	L	62.4	Low	57.8	Low	81 Å²	81	119.9 Å²	119.9	42%	0.424	62%	0.616	S	S	.	*			trans	-63.6	121	167.5	-80.6	159.8	0	0	0	107.6	L5 V11 I12	L5-L7 HydrophobicContact CB-CG 4.44Å; L5-L7 HydrophobicContact CD2-CD1 4.48Å; L5-L7 HydrophobicContact CD2-CG 4.34Å; L5-L7 PolarHBondContact O-N 2.81Å; L7-V11 HydrophobicContact CD2-CB 4.16Å; L7-V11 HydrophobicContact CD2-CG1 3.72Å; L7-I12 HydrophobicContact CB-CD1 4.42Å; L7-I12 HydrophobicContact CB-CG1 4.15Å
8	R	70.7	Confident	58.2	Low	176 Å²	176	117.4 Å²	117.4	66%	0.664	61%	0.609	S	S	*	*			trans	-56.3	139.5	176.6	-68.1	-175.4	174.5	-160.4	0.1	108.8	Q6 W10 V11	Q6-R8 PolarHBondContact O-N 3.28Å; R8-W10 VanDerWaalsContact CB-CD1 3.43Å; R8-W10 HydrophobicContact CB-CG 4.3Å; R8-W10 VanDerWaalsContact CB-NE1 3.25Å; R8-W10 PolarHBondContact O-N 3.16Å; R8-V11 HydrophobicContact CB-CG2 4.31Å; R8-V11 WeakPolarHBondContact O-CB 2.98Å; R8-V11 PolarHBondContact O-N 2.77Å
9	P	61.6	Low	58.4	Low	97 Å²	97	114.2 Å²	114.2	63%	0.63	60%	0.602	S	S	*	*	H	α-helix	trans	-50.6	-32.8	-175.2	-29.6	33.9	0	0	0	114.6	V11 I12 I13	P9-V11 VanDerWaalsContact C-N 3.32Å; P9-V11 PolarHBondContact O-N 3.41Å; P9-I12 PolarHBondContact O-N 3.32Å; P9-I13 WeakPolarHBondContact O-CG1 3.2Å; P9-I13 PolarHBondContact O-N 3.27Å
10	W	63.5	Low	58.4	Low	148 Å²	148	112.9 Å²	112.9	56%	0.561	59%	0.589	S	S	*	*	H	α-helix	trans	-65	-32.3	177.1	67.3	-99.3	0	0	0	113.3	R8 I13 I14	R8-W10 VanDerWaalsContact CB-CD1 3.43Å; R8-W10 HydrophobicContact CB-CG 4.3Å; R8-W10 VanDerWaalsContact CB-NE1 3.25Å; R8-W10 PolarHBondContact O-N 3.16Å; W10-I13 PolarHBondContact O-N 3.3Å; W10-I14 HydrophobicContact CE3-CD1 3.62Å; W10-I14 HydrophobicContact CZ3-CD1 3.87Å; W10-I14 WeakPolarHBondContact O-CG1 3.5Å; W10-I14 PolarHBondContact O-N 3.4Å
11	V	63.8	Low	58.6	Low	36 Å²	36	115 Å²	115	22%	0.218	59%	0.589	C	S	.	*	H	α-helix	trans	-68.2	-40.5	177.3	-173.4	0	0	0	0	110.1	L7 R8 P9 I13 I14 L15	L7-V11 HydrophobicContact CD2-CB 4.16Å; L7-V11 HydrophobicContact CD2-CG1 3.72Å; R8-V11 HydrophobicContact CB-CG2 4.31Å; R8-V11 WeakPolarHBondContact O-CB 2.98Å; R8-V11 PolarHBondContact O-N 2.77Å; P9-V11 VanDerWaalsContact C-N 3.32Å; P9-V11 PolarHBondContact O-N 3.41Å; V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 PolarHBondContact O-N 3.09Å; V11-I14 PolarHBondContact O-N 3.38Å; V11-L15 HydrophobicContact CG1-CD1 3.98Å; V11-L15 WeakPolarHBondContact O-CB 3.48Å; V11-L15 WeakPolarHBondContact O-CG 3.5Å; V11-L15 PolarHBondContact O-N 2.92Å
12	I	64.4	Low	60	Low	87 Å²	87	107.8 Å²	107.8	45%	0.446	56%	0.559	S	S	.	*	H	α-helix	trans	-63.2	-41.9	175.7	-57.6	174.5	0	0	0	110.1	L7 P9 L15 T16	L7-I12 HydrophobicContact CB-CD1 4.42Å; L7-I12 HydrophobicContact CB-CG1 4.15Å; P9-I12 PolarHBondContact O-N 3.32Å; I12-L15 PolarHBondContact O-N 2.82Å; I12-T16 HydrophobicContact CG2-CG2 4.38Å; I12-T16 WeakPolarHBondContact O-CB 3.25Å; I12-T16 VanDerWaalsContact O-CG2 3.25Å; I12-T16 WeakPolarHBondContact O-CG2 3.43Å; I12-T16 PolarHBondContact O-N 2.97Å; I12-T16 PolarHBondContact O-OG1 3.07Å
13	I	57.5	Low	61.2	Low	99 Å²	99	106.7 Å²	106.7	51%	0.508	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-46.9	176.8	-66.9	165.9	0	0	0	111	P9 W10 V11 L15 T16 I17	P9-I13 WeakPolarHBondContact O-CG1 3.2Å; P9-I13 PolarHBondContact O-N 3.27Å; W10-I13 PolarHBondContact O-N 3.3Å; V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 PolarHBondContact O-N 3.09Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 3.45Å; I13-T16 WeakPolarHBondContact CA-OG1 3.41Å; I13-T16 PolarHBondContact O-N 3.22Å; I13-T16 PolarHBondContact O-OG1 3.43Å; I13-I17 HydrophobicContact CG2-CD1 3.99Å; I13-I17 WeakPolarHBondContact O-CD1 3.4Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.34Å; I13-I17 PolarHBondContact O-N 3.33Å; I13-I17 VanDerWaalsContact O-N 3.15Å
14	I	62	Low	62	Low	98 Å²	98	101 Å²	101	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-39.2	179.6	-67.5	176	0	0	0	111.5	W10 V11 P18	W10-I14 HydrophobicContact CE3-CD1 3.62Å; W10-I14 HydrophobicContact CZ3-CD1 3.87Å; W10-I14 WeakPolarHBondContact O-CG1 3.5Å; W10-I14 PolarHBondContact O-N 3.4Å; V11-I14 PolarHBondContact O-N 3.38Å; I14-P18 WeakPolarHBondContact O-CD 3.47Å
15	L	62.8	Low	62.6	Low	118 Å²	118	96.7 Å²	96.7	62%	0.618	49%	0.492	S	S	*	.	H	α-helix	trans	-70.3	-31.7	178.2	-73.4	168.9	0	0	0	113.1	V11 I12 I13	V11-L15 HydrophobicContact CG1-CD1 3.98Å; V11-L15 WeakPolarHBondContact O-CB 3.48Å; V11-L15 WeakPolarHBondContact O-CG 3.5Å; V11-L15 PolarHBondContact O-N 2.92Å; I12-L15 PolarHBondContact O-N 2.82Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 3.45Å
16	T	60.4	Low	63	Low	74 Å²	74	93.6 Å²	93.6	45%	0.454	48%	0.478	S	S	.	.	H	α-helix	trans	-79.4	-25.8	-179.5	48.7	0	0	0	0	113	I12 I13 A19 Y20	I12-T16 HydrophobicContact CG2-CG2 4.38Å; I12-T16 WeakPolarHBondContact O-CB 3.25Å; I12-T16 VanDerWaalsContact O-CG2 3.25Å; I12-T16 WeakPolarHBondContact O-CG2 3.43Å; I12-T16 PolarHBondContact O-N 2.97Å; I12-T16 PolarHBondContact O-OG1 3.07Å; I13-T16 WeakPolarHBondContact CA-OG1 3.41Å; I13-T16 PolarHBondContact O-N 3.22Å; I13-T16 PolarHBondContact O-OG1 3.43Å; T16-A19 PolarHBondContact O-N 3.46Å; T16-Y20 WeakPolarHBondContact O-CB 3.32Å; T16-Y20 PolarHBondContact O-N 3.33Å
17	I	61.7	Low	63.2	Low	84 Å²	84	88.1 Å²	88.1	43%	0.431	45%	0.454	S	S	.	.	H	α-helix	trans	-59.4	-49.9	-179.2	-72.1	161.8	0	0	0	113	I13 Y20 R21	I13-I17 HydrophobicContact CG2-CD1 3.99Å; I13-I17 WeakPolarHBondContact O-CD1 3.4Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.34Å; I13-I17 PolarHBondContact O-N 3.33Å; I13-I17 VanDerWaalsContact O-N 3.15Å; I17-Y20 PolarHBondContact O-N 3.46Å; I17-R21 WeakPolarHBondContact O-CG 3.18Å; I17-R21 PolarHBondContact O-N 2.99Å
18	P	64.2	Low	63.2	Low	75 Å²	75	88 Å²	88	49%	0.487	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-44.2	178.3	-22.8	32.4	0	0	0	112.7	I14 Y20 R21 V22	I14-P18 WeakPolarHBondContact O-CD 3.47Å; P18-Y20 VanDerWaalsContact C-N 3.31Å; P18-Y20 PolarHBondContact O-N 2.91Å; P18-R21 WeakPolarHBondContact O-CB 3.48Å; P18-R21 PolarHBondContact O-N 2.81Å; P18-V22 WeakPolarHBondContact O-CG2 3.35Å; P18-V22 PolarHBondContact O-N 2.8Å
19	A	63.1	Low	62.9	Low	57 Å²	57	86.1 Å²	86.1	47%	0.471	45%	0.447	S	S	.	.	H	α-helix	trans	-59.1	-46.3	177.6	0	0	0	0	0	110.6	T16 R21 V22 T23	T16-A19 PolarHBondContact O-N 3.46Å; A19-R21 PolarHBondContact O-N 2.82Å; A19-V22 PolarHBondContact O-N 2.97Å; A19-T23 PolarHBondContact O-N 3.15Å; A19-T23 PolarHBondContact O-OG1 3Å
20	Y	58.5	Low	62.9	Low	88 Å²	88	85.9 Å²	85.9	35%	0.345	44%	0.44	S	S	.	.	H	α-helix	trans	-62.6	-38.7	177.6	-173.3	-92.2	0	0	0	112.9	T16 I17 P18 T23 C24 L94 F99	T16-Y20 WeakPolarHBondContact O-CB 3.32Å; T16-Y20 PolarHBondContact O-N 3.33Å; I17-Y20 PolarHBondContact O-N 3.46Å; P18-Y20 VanDerWaalsContact C-N 3.31Å; P18-Y20 PolarHBondContact O-N 2.91Å; Y20-T23 PolarHBondContact O-N 3.27Å; Y20-C24 WeakPolarHBondContact CE1-SG 3.48Å; Y20-C24 WeakPolarHBondContact O-CB 3.14Å; Y20-C24 PolarHBondContact O-N 3.37Å; Y20-C24 PolarHBondContact O-SG 3.35Å; Y20-C24 VanDerWaalsContact O-SG 3.35Å; Y20-L94 HydrophobicContact CE2-CD1 4.24Å; Y20-F99 AromaticContact CE1-CE2 3.8Å; Y20-F99 HydrophobicContact CE1-CE2 3.8Å; Y20-F99 AromaticContact CE1-CZ 3.5Å; Y20-F99 HydrophobicContact CE1-CZ 3.5Å; Y20-F99 VanDerWaalsContact CE1-CZ 3.5Å; Y20-F99 AromaticContact CZ-CE2 3.95Å; Y20-F99 AromaticContact CZ-CZ 3.57Å; Y20-F99 WeakPolarHBondContact OH-CZ 3.41Å
21	R	62.7	Low	62.5	Low	157 Å²	157	84.8 Å²	84.8	59%	0.592	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-46.5	173.8	-79	-176.2	179.1	-132.8	0.8	111.5	I17 P18 A19 C24 D25	I17-R21 WeakPolarHBondContact O-CG 3.18Å; I17-R21 PolarHBondContact O-N 2.99Å; P18-R21 WeakPolarHBondContact O-CB 3.48Å; P18-R21 PolarHBondContact O-N 2.81Å; A19-R21 PolarHBondContact O-N 2.82Å; R21-C24 PolarHBondContact O-N 2.96Å; R21-D25 WeakPolarHBondContact O-CB 3.26Å; R21-D25 PolarHBondContact O-N 3.4Å
22	V	66.7	Low	62.2	Low	95 Å²	95	86.6 Å²	86.6	58%	0.576	45%	0.445	S	S	*	.	H	α-helix	trans	-64.3	-44.1	178.7	176.2	0	0	0	0	110.7	P18 A19 D25 T26	P18-V22 WeakPolarHBondContact O-CG2 3.35Å; P18-V22 PolarHBondContact O-N 2.8Å; A19-V22 PolarHBondContact O-N 2.97Å; V22-D25 PolarHBondContact O-N 3.49Å; V22-T26 VanDerWaalsContact O-CB 3.29Å; V22-T26 WeakPolarHBondContact O-CB 3.48Å; V22-T26 PolarHBondContact O-N 2.97Å; V22-T26 PolarHBondContact O-OG1 3.43Å
23	T	67.2	Low	61.6	Low	76 Å²	76	86.9 Å²	86.9	47%	0.466	45%	0.446	S	S	.	.	H	α-helix	trans	-61.5	-46.5	177.1	-51	0	0	0	0	111.6	A19 Y20 T26 I27	A19-T23 PolarHBondContact O-N 3.15Å; A19-T23 PolarHBondContact O-OG1 3Å; Y20-T23 PolarHBondContact O-N 3.27Å; T23-T26 PolarHBondContact O-N 3.4Å; T23-I27 HydrophobicContact CG2-CD1 3.86Å; T23-I27 HydrophobicContact CG2-CG1 4.49Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.45Å; T23-I27 PolarHBondContact O-N 3.47Å
24	C	60.9	Low	61.2	Low	13 Å²	13	86.5 Å²	86.5	9%	0.088	44%	0.444	C	S	.	.	H	α-helix	trans	-65.2	-44.4	178.5	-74.1	0	0	0	0	112.6	Y20 R21 T26 I27 F28	Y20-C24 WeakPolarHBondContact CE1-SG 3.48Å; Y20-C24 WeakPolarHBondContact O-CB 3.14Å; Y20-C24 PolarHBondContact O-N 3.37Å; Y20-C24 PolarHBondContact O-SG 3.35Å; Y20-C24 VanDerWaalsContact O-SG 3.35Å; R21-C24 PolarHBondContact O-N 2.96Å; C24-T26 PolarHBondContact O-N 3.49Å; C24-I27 PolarHBondContact O-N 3.44Å; C24-F28 VanDerWaalsContact O-CB 3.27Å; C24-F28 WeakPolarHBondContact O-CB 3.14Å; C24-F28 PolarHBondContact O-N 3.03Å
25	D	64.5	Low	60.6	Low	47 Å²	47	85 Å²	85	25%	0.251	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-34.6	176.1	-87.4	-21.7	0	0	0	111.5	R21 V22 K29 R110	R21-D25 WeakPolarHBondContact O-CB 3.26Å; R21-D25 PolarHBondContact O-N 3.4Å; V22-D25 PolarHBondContact O-N 3.49Å; D25-K29 WeakPolarHBondContact O-CB 3.39Å; D25-K29 VanDerWaalsContact O-CG 3.24Å; D25-K29 WeakPolarHBondContact O-CG 3.29Å; D25-K29 PolarHBondContact O-N 3.03Å; D25-R110 IonicContact OD1-CZ 3.6Å; D25-R110 IonicContact OD1-NH1 3.6Å; D25-R110 IonicContact OD1-NH2 2.76Å; D25-R110 PolarHBondContact OD1-NH2 2.92Å; D25-R110 IonicContact OD2-NH2 3.74Å
26	T	64.9	Low	59.9	Low	69 Å²	69	86.2 Å²	86.2	42%	0.423	45%	0.447	S	S	.	.	H	α-helix	trans	-69.8	-47.6	176.8	-57	0	0	0	0	111.1	V22 T23 C24 F28 K29 I30	V22-T26 VanDerWaalsContact O-CB 3.29Å; V22-T26 WeakPolarHBondContact O-CB 3.48Å; V22-T26 PolarHBondContact O-N 2.97Å; V22-T26 PolarHBondContact O-OG1 3.43Å; T23-T26 PolarHBondContact O-N 3.4Å; C24-T26 PolarHBondContact O-N 3.49Å; T26-F28 VanDerWaalsContact C-N 3.32Å; T26-F28 PolarHBondContact O-N 3.07Å; T26-K29 PolarHBondContact O-N 3.38Å; T26-I30 HydrophobicContact CG2-CD1 3.93Å; T26-I30 VanDerWaalsContact O-CG1 3.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.22Å; T26-I30 PolarHBondContact O-N 2.93Å
27	I	64.4	Low	59.2	Low	75 Å²	75	88.5 Å²	88.5	39%	0.385	46%	0.455	S	S	.	.	H	α-helix	trans	-59.7	-44.3	175.4	-69.1	168	0	0	0	110.4	T23 C24 I30 Y31	T23-I27 HydrophobicContact CG2-CD1 3.86Å; T23-I27 HydrophobicContact CG2-CG1 4.49Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.45Å; T23-I27 PolarHBondContact O-N 3.47Å; C24-I27 PolarHBondContact O-N 3.44Å; I27-I30 PolarHBondContact O-N 3.28Å; I27-Y31 WeakPolarHBondContact O-CB 3.32Å; I27-Y31 PolarHBondContact O-N 2.87Å
28	F	61.3	Low	57.8	Low	79 Å²	79	87.2 Å²	87.2	35%	0.346	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-44.4	178	-177.2	-98.2	0	0	0	112	C24 T26 Y31 L32	C24-F28 VanDerWaalsContact O-CB 3.27Å; C24-F28 WeakPolarHBondContact O-CB 3.14Å; C24-F28 PolarHBondContact O-N 3.03Å; T26-F28 VanDerWaalsContact C-N 3.32Å; T26-F28 PolarHBondContact O-N 3.07Å; F28-Y31 PolarHBondContact O-N 3.43Å; F28-L32 HydrophobicContact CE1-CD1 4.35Å; F28-L32 HydrophobicContact CZ-CD1 4.38Å; F28-L32 WeakPolarHBondContact O-CB 3.16Å; F28-L32 PolarHBondContact O-N 2.96Å
29	K	64.7	Low	56.3	Low	136 Å²	136	90 Å²	90	59%	0.591	47%	0.469	S	S	*	.	H	α-helix	trans	-62.1	-43.5	174.9	-76.1	173.7	-177.4	179	0	111.9	D25 T26 L32 I33	D25-K29 WeakPolarHBondContact O-CB 3.39Å; D25-K29 VanDerWaalsContact O-CG 3.24Å; D25-K29 WeakPolarHBondContact O-CG 3.29Å; D25-K29 PolarHBondContact O-N 3.03Å; T26-K29 PolarHBondContact O-N 3.38Å; K29-L32 PolarHBondContact O-N 3.43Å; K29-I33 WeakPolarHBondContact O-CB 3.15Å; K29-I33 VanDerWaalsContact O-CG1 3.25Å; K29-I33 WeakPolarHBondContact O-CG1 3.03Å; K29-I33 PolarHBondContact O-N 3.36Å
30	I	61.3	Low	55	Low	92 Å²	92	91.3 Å²	91.3	47%	0.472	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-45.9	177	-69.3	167.1	0	0	0	110.2	T26 I27 L32 I33 L34	T26-I30 HydrophobicContact CG2-CD1 3.93Å; T26-I30 VanDerWaalsContact O-CG1 3.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.22Å; T26-I30 PolarHBondContact O-N 2.93Å; I27-I30 PolarHBondContact O-N 3.28Å; I30-L32 PolarHBondContact O-N 2.9Å; I30-I33 PolarHBondContact O-N 3.35Å; I30-L34 HydrophobicContact CG2-CD1 3.72Å; I30-L34 HydrophobicContact CG2-CG 4.38Å; I30-L34 WeakPolarHBondContact O-CB 3.44Å; I30-L34 WeakPolarHBondContact O-CG 3.38Å; I30-L34 PolarHBondContact O-N 3.42Å
31	Y	55.9	Low	53.6	Low	125 Å²	125	91.6 Å²	91.6	49%	0.49	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-42.6	177.6	-170.6	-84.3	0	0	0	111.8	I27 F28 L34 S35 L82	I27-Y31 WeakPolarHBondContact O-CB 3.32Å; I27-Y31 PolarHBondContact O-N 2.87Å; F28-Y31 PolarHBondContact O-N 3.43Å; Y31-L34 PolarHBondContact O-N 2.83Å; Y31-S35 WeakPolarHBondContact O-CB 3.38Å; Y31-S35 PolarHBondContact O-N 3.34Å; Y31-S35 PolarHBondContact O-OG 3.23Å; Y31-L82 HydrophobicContact CD1-CD1 4.45Å; Y31-L82 HydrophobicContact CE1-CD1 3.59Å
32	L	56.3	Low	52.1	Low	75 Å²	75	91.5 Å²	91.5	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-47.2	176.8	-166.3	103.7	0	0	0	110.9	F28 K29 I30 S35 M36	F28-L32 HydrophobicContact CE1-CD1 4.35Å; F28-L32 HydrophobicContact CZ-CD1 4.38Å; F28-L32 WeakPolarHBondContact O-CB 3.16Å; F28-L32 PolarHBondContact O-N 2.96Å; K29-L32 PolarHBondContact O-N 3.43Å; I30-L32 PolarHBondContact O-N 2.9Å; L32-S35 PolarHBondContact O-N 3.04Å; L32-S35 PolarHBondContact O-OG 3.02Å; L32-M36 HydrophobicContact CD2-CE 3.67Å; L32-M36 HydrophobicContact CG-CE 3.96Å; L32-M36 WeakPolarHBondContact O-CG 3.23Å; L32-M36 PolarHBondContact O-N 3.04Å; L32-M36 VanDerWaalsContact O-N 3.14Å
33	I	53.2	Low	50.4	Low	93 Å²	93	91.2 Å²	91.2	48%	0.477	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-46.9	177.3	-68.5	165.9	0	0	0	110.6	K29 I30 S35 M36 I37	K29-I33 WeakPolarHBondContact O-CB 3.15Å; K29-I33 VanDerWaalsContact O-CG1 3.25Å; K29-I33 WeakPolarHBondContact O-CG1 3.03Å; K29-I33 PolarHBondContact O-N 3.36Å; I30-I33 PolarHBondContact O-N 3.35Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 2.71Å; I33-M36 PolarHBondContact O-N 3.42Å; I33-M36 VanDerWaalsContact O-N 3.1Å; I33-I37 HydrophobicContact CG2-CD1 3.51Å; I33-I37 HydrophobicContact CG2-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 3.45Å
34	L	49	Very low	48.5	Very low	90 Å²	90	92.1 Å²	92.1	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-57.2	-45.6	176	-79.5	165.2	0	0	0	111	I30 Y31 M36 I37 T38	I30-L34 HydrophobicContact CG2-CD1 3.72Å; I30-L34 HydrophobicContact CG2-CG 4.38Å; I30-L34 WeakPolarHBondContact O-CB 3.44Å; I30-L34 WeakPolarHBondContact O-CG 3.38Å; I30-L34 PolarHBondContact O-N 3.42Å; Y31-L34 PolarHBondContact O-N 2.83Å; L34-M36 PolarHBondContact O-N 2.72Å; L34-I37 PolarHBondContact O-N 3.49Å; L34-I37 VanDerWaalsContact O-N 3.07Å; L34-T38 PolarHBondContact O-N 3.44Å; L34-T38 PolarHBondContact O-OG1 3.33Å
35	S	48.7	Very low	47.1	Very low	66 Å²	66	102.9 Å²	102.9	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-26.9	178.7	76.2	0	0	0	0	113.7	Y31 L32 I33	Y31-S35 WeakPolarHBondContact O-CB 3.38Å; Y31-S35 PolarHBondContact O-N 3.34Å; Y31-S35 PolarHBondContact O-OG 3.23Å; L32-S35 PolarHBondContact O-N 3.04Å; L32-S35 PolarHBondContact O-OG 3.02Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 2.71Å
36	M	47.9	Very low	45.7	Very low	145 Å²	145	105.9 Å²	105.9	71%	0.714	56%	0.563	S	S	*	*	H	α-helix	trans	-81.6	-33.1	174.3	-68	-179.2	-175.1	0	0	112.4	L32 I33 L34	L32-M36 HydrophobicContact CD2-CE 3.67Å; L32-M36 HydrophobicContact CG-CE 3.96Å; L32-M36 WeakPolarHBondContact O-CG 3.23Å; L32-M36 PolarHBondContact O-N 3.04Å; L32-M36 VanDerWaalsContact O-N 3.14Å; I33-M36 PolarHBondContact O-N 3.42Å; I33-M36 VanDerWaalsContact O-N 3.1Å; L34-M36 PolarHBondContact O-N 2.72Å
37	I	45.3	Very low	43.9	Very low	122 Å²	122	108 Å²	108	63%	0.626	58%	0.581	S	S	*	*	H	α-helix	trans	-83.7	-38.6	-176.5	-66.2	172.6	0	0	0	111.7	I33 L34 P39	I33-I37 HydrophobicContact CG2-CD1 3.51Å; I33-I37 HydrophobicContact CG2-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.49Å; L34-I37 VanDerWaalsContact O-N 3.07Å; I37-P39 WeakPolarHBondContact O-CD 3.24Å
38	T	32.2	Very low	42.5	Very low	57 Å²	57	110.4 Å²	110.4	35%	0.35	59%	0.59	S	S	.	*			trans	-92.2	110.2	-178.3	52.8	0	0	0	0	111	L34 T40	L34-T38 PolarHBondContact O-N 3.44Å; L34-T38 PolarHBondContact O-OG1 3.33Å; T38-T40 WeakPolarHBondContact CB-OG1 3.18Å; T38-T40 HydrophobicContact CG2-CG2 4.46Å; T38-T40 PolarHBondContact O-N 2.87Å; T38-T40 PolarHBondContact OG1-OG1 3.27Å
39	P	33.9	Very low	41.3	Very low	132 Å²	132	113.6 Å²	113.6	86%	0.857	60%	0.604	S	S	*	*			trans	-75.7	54.8	164.5	34.3	-35.2	0	0	0	109.3	I37	I37-P39 WeakPolarHBondContact O-CD 3.24Å
40	T	34.8	Very low	40.1	Very low	86 Å²	86	116.5 Å²	116.5	53%	0.528	62%	0.616	S	S	.	*			trans	-103.4	90.4	-173.8	45.5	0	0	0	0	111	T38 L42	T38-T40 WeakPolarHBondContact CB-OG1 3.18Å; T38-T40 HydrophobicContact CG2-CG2 4.46Å; T38-T40 PolarHBondContact O-N 2.87Å; T38-T40 PolarHBondContact OG1-OG1 3.27Å; T40-L42 PolarHBondContact O-N 3.37Å
41	S	28.7	Very low	39	Very low	93 Å²	93	117.3 Å²	117.3	65%	0.65	61%	0.614	S	S	*	*	S	Bend		53	-0.9	125.7	70.9	0	0	0	0	122.2	V43 S44	S41-V43 VanDerWaalsContact C-N 3.3Å; S41-S44 WeakPolarHBondContact O-CB 2.92Å; S41-S44 PolarHBondContact O-OG 2.96Å
42	L	32	Very low	38.3	Very low	156 Å²	156	114.8 Å²	114.8	82%	0.817	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-6.3	173.3	-96.7	156	0	0	0	113.6	T40	T40-L42 PolarHBondContact O-N 3.37Å
43	V	32.1	Very low	37.6	Very low	88 Å²	88	118.2 Å²	118.2	53%	0.533	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.7	19.2	172.4	-138.9	0	0	0	0	113.2	S41 R45 H48	S41-V43 VanDerWaalsContact C-N 3.3Å; V43-R45 VanDerWaalsContact C-N 3.26Å; V43-R45 PolarHBondContact O-N 2.93Å; V43-H48 WeakPolarHBondContact CG1-CD2 3.43Å; V43-H48 WeakPolarHBondContact CG1-NE2 3.08Å
44	S	27	Very low	37	Very low	96 Å²	96	123.6 Å²	123.6	67%	0.671	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	6.9	-175.7	65.6	0	0	0	0	115.9	S41	S41-S44 WeakPolarHBondContact O-CB 2.92Å; S41-S44 PolarHBondContact O-OG 2.96Å
45	R	32	Very low	36.7	Very low	238 Å²	238	121.7 Å²	121.7	90%	0.898	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	3.4	174.7	-77.2	-170.7	177.5	-175.5	0.2	116.2	V43	V43-R45 VanDerWaalsContact C-N 3.26Å; V43-R45 PolarHBondContact O-N 2.93Å
46	V	33.6	Very low	36.2	Very low	110 Å²	110	125 Å²	125	67%	0.667	64%	0.637	S	S	*	*	S	Bend	trans	-128.6	80.8	169.6	-171.3	0	0	0	0	108.3	H48	V46-H48 VanDerWaalsContact C-N 3.3Å; V46-H48 PolarHBondContact O-CD2 3.42Å; V46-H48 VanDerWaalsContact O-CD2 3.25Å; V46-H48 PolarHBondContact O-N 3.39Å
47	S	28.4	Very low	35.9	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	63%	0.626	S	S	*	*			trans	26.3	61	154.8	169.2	0	0	0	0	115.1	K49	S47-K49 PolarHBondContact O-N 3.22Å
48	H	33.8	Very low	36	Very low	126 Å²	126	120.7 Å²	120.7	58%	0.583	62%	0.619	S	S	*	*			trans	-76.8	83.5	170.8	-92.7	-87.9	0	0	0	107.8	V43 V46 K50	V43-H48 WeakPolarHBondContact CG1-CD2 3.43Å; V43-H48 WeakPolarHBondContact CG1-NE2 3.08Å; V46-H48 VanDerWaalsContact C-N 3.3Å; V46-H48 PolarHBondContact O-CD2 3.42Å; V46-H48 VanDerWaalsContact O-CD2 3.25Å; V46-H48 PolarHBondContact O-N 3.39Å; H48-K50 PolarHBondContact O-N 3.21Å
49	K	37.2	Very low	36.6	Very low	145 Å²	145	121.1 Å²	121.1	63%	0.63	62%	0.618	S	S	*	*			trans	-52.5	122.9	146.8	-97.3	-179	177.3	177.2	0	105.3	S47 Y51	S47-K49 PolarHBondContact O-N 3.22Å; K49-Y51 HydrophobicContact CB-CD2 3.91Å; K49-Y51 HydrophobicContact CB-CE2 3.45Å; K49-Y51 VanDerWaalsContact CB-CE2 3.45Å; K49-Y51 WeakPolarHBondContact O-CD2 3.28Å; K49-Y51 PolarHBondContact O-N 2.98Å
50	K	39.6	Very low	36.5	Very low	197 Å²	197	119.7 Å²	119.7	86%	0.857	60%	0.597	S	S	*	*			trans	-66.4	75.8	-178.6	-163	179.6	-173.4	-179.5	0	108.3	H48 T52	H48-K50 PolarHBondContact O-N 3.21Å; K50-T52 PolarHBondContact O-N 2.84Å; K50-T52 VanDerWaalsContact O-N 3.15Å
51	Y	37.2	Very low	36.9	Very low	109 Å²	109	125.7 Å²	125.7	43%	0.427	61%	0.61	S	S	.	*			trans	-71.1	107	176.5	-72.7	-75	0	0	0	107.1	K49 D55 I59	K49-Y51 HydrophobicContact CB-CD2 3.91Å; K49-Y51 HydrophobicContact CB-CE2 3.45Å; K49-Y51 VanDerWaalsContact CB-CE2 3.45Å; K49-Y51 WeakPolarHBondContact O-CD2 3.28Å; K49-Y51 PolarHBondContact O-N 2.98Å; Y51-D55 WeakPolarHBondContact CA-OD2 3.46Å; Y51-D55 HydrophobicContact CD1-CB 3.51Å; Y51-D55 HydrophobicContact CE1-CB 4.4Å; Y51-D55 HydrophobicContact CG-CB 4.33Å; Y51-I59 HydrophobicContact CD1-CD1 3.85Å; Y51-I59 HydrophobicContact CE1-CD1 3.62Å
52	T	42.3	Very low	37.7	Very low	73 Å²	73	129.6 Å²	129.6	45%	0.448	62%	0.615	S	S	.	*			trans	-65.6	160	168.1	58.8	0	0	0	0	109.2	K50 R54 D55 Y56	K50-T52 PolarHBondContact O-N 2.84Å; K50-T52 VanDerWaalsContact O-N 3.15Å; T52-R54 PolarHBondContact O-N 2.91Å; T52-R54 WeakPolarHBondContact OG1-CB 3.38Å; T52-D55 PolarHBondContact N-OD2 3.49Å; T52-D55 WeakPolarHBondContact O-CA 3.27Å; T52-D55 WeakPolarHBondContact O-CB 3.48Å; T52-D55 PolarHBondContact O-N 3.37Å; T52-D55 VanDerWaalsContact OG1-CG 3.3Å; T52-D55 PolarHBondContact OG1-OD2 3Å; T52-Y56 PolarHBondContact O-N 3.43Å
53	I	41.8	Very low	38	Very low	147 Å²	147	123.5 Å²	123.5	75%	0.754	59%	0.585	S	S	*	*	H	α-helix	trans	-48.6	-33.9	172.4	-70.2	169.6	0	0	0	110.8	D55 Y56 V57	I53-D55 PolarHBondContact O-N 3.07Å; I53-Y56 PolarHBondContact O-N 2.87Å; I53-V57 WeakPolarHBondContact O-CG2 3.39Å; I53-V57 PolarHBondContact O-N 2.93Å; I53-V57 VanDerWaalsContact O-N 3.07Å
54	R	40.2	Very low	38.3	Very low	206 Å²	206	129 Å²	129	78%	0.777	61%	0.605	S	S	*	*	H	α-helix	trans	-60.7	-40.7	175	-129.2	179	-176.1	-179.5	1	113.1	T52 V57 M58	T52-R54 PolarHBondContact O-N 2.91Å; T52-R54 WeakPolarHBondContact OG1-CB 3.38Å; R54-V57 PolarHBondContact O-N 3.26Å; R54-M58 WeakPolarHBondContact O-CB 3.41Å; R54-M58 PolarHBondContact O-N 3.4Å
55	D	42.9	Very low	38.9	Very low	49 Å²	49	128.6 Å²	128.6	26%	0.262	60%	0.595	S	S	.	*	H	α-helix	trans	-75	-33.2	-179.8	-53.8	-53.9	0	0	0	112	Y51 T52 I53 M58 I59	Y51-D55 WeakPolarHBondContact CA-OD2 3.46Å; Y51-D55 HydrophobicContact CD1-CB 3.51Å; Y51-D55 HydrophobicContact CE1-CB 4.4Å; Y51-D55 HydrophobicContact CG-CB 4.33Å; T52-D55 PolarHBondContact N-OD2 3.49Å; T52-D55 WeakPolarHBondContact O-CA 3.27Å; T52-D55 WeakPolarHBondContact O-CB 3.48Å; T52-D55 PolarHBondContact O-N 3.37Å; T52-D55 VanDerWaalsContact OG1-CG 3.3Å; T52-D55 PolarHBondContact OG1-OD2 3Å; I53-D55 PolarHBondContact O-N 3.07Å; D55-M58 PolarHBondContact O-N 3.22Å; D55-I59 VanDerWaalsContact O-CG1 3.28Å; D55-I59 WeakPolarHBondContact O-CG1 3.08Å; D55-I59 PolarHBondContact O-N 2.92Å
56	Y	38.5	Very low	39.2	Very low	137 Å²	137	121.5 Å²	121.5	54%	0.537	57%	0.574	S	S	.	*	H	α-helix	trans	-60.2	-45.6	169.3	-85.1	-84.1	0	0	0	111.3	T52 I53 M58 I59 Y60	T52-Y56 PolarHBondContact O-N 3.43Å; I53-Y56 PolarHBondContact O-N 2.87Å; Y56-M58 VanDerWaalsContact C-N 3.28Å; Y56-M58 PolarHBondContact O-N 3.5Å; Y56-I59 PolarHBondContact O-N 3.41Å; Y56-Y60 WeakPolarHBondContact O-CB 3.45Å; Y56-Y60 PolarHBondContact O-N 3.32Å
57	V	41.6	Very low	39.4	Very low	78 Å²	78	117.8 Å²	117.8	47%	0.473	55%	0.553	S	S	.	*	H	α-helix	trans	-64.4	-33.6	176.6	173.6	0	0	0	0	111.8	I53 R54 R61	I53-V57 WeakPolarHBondContact O-CG2 3.39Å; I53-V57 PolarHBondContact O-N 2.93Å; I53-V57 VanDerWaalsContact O-N 3.07Å; R54-V57 PolarHBondContact O-N 3.26Å; V57-R61 PolarHBondContact O-N 3.49Å
58	M	46.5	Very low	39.7	Very low	98 Å²	98	118.6 Å²	118.6	48%	0.483	54%	0.539	S	S	.	.	H	α-helix	trans	-75.3	-40.9	179.6	-146.6	-170.1	-50.4	0	0	112.5	R54 D55 Y56 Y60 R61 K62	R54-M58 WeakPolarHBondContact O-CB 3.41Å; R54-M58 PolarHBondContact O-N 3.4Å; D55-M58 PolarHBondContact O-N 3.22Å; Y56-M58 VanDerWaalsContact C-N 3.28Å; Y56-M58 PolarHBondContact O-N 3.5Å; M58-Y60 VanDerWaalsContact C-N 3.31Å; M58-R61 PolarHBondContact O-N 2.77Å; M58-K62 WeakPolarHBondContact O-CB 3.2Å; M58-K62 PolarHBondContact O-N 3.33Å
59	I	43.9	Very low	39.9	Very low	65 Å²	65	118.1 Å²	118.1	33%	0.333	54%	0.541	S	S	.	.	H	α-helix	trans	-60.9	-46.5	171	-68.4	165.6	0	0	0	108.9	Y51 D55 Y56 R61 K62 S63	Y51-I59 HydrophobicContact CD1-CD1 3.85Å; Y51-I59 HydrophobicContact CE1-CD1 3.62Å; D55-I59 VanDerWaalsContact O-CG1 3.28Å; D55-I59 WeakPolarHBondContact O-CG1 3.08Å; D55-I59 PolarHBondContact O-N 2.92Å; Y56-I59 PolarHBondContact O-N 3.41Å; I59-R61 VanDerWaalsContact C-N 3.32Å; I59-R61 PolarHBondContact O-N 3.14Å; I59-K62 PolarHBondContact O-N 3.27Å; I59-K62 VanDerWaalsContact O-N 3.12Å; I59-S63 WeakPolarHBondContact O-CB 3.28Å; I59-S63 PolarHBondContact O-N 2.67Å; I59-S63 PolarHBondContact O-OG 3.12Å
60	Y	32.9	Very low	39.8	Very low	103 Å²	103	115.9 Å²	115.9	40%	0.404	53%	0.529	S	S	.	.	H	α-helix	trans	-58.6	-37.5	178.6	-173.6	-85.2	0	0	0	113.7	Y56 M58 S63 P67	Y56-Y60 WeakPolarHBondContact O-CB 3.45Å; Y56-Y60 PolarHBondContact O-N 3.32Å; M58-Y60 VanDerWaalsContact C-N 3.31Å; Y60-S63 VanDerWaalsContact O-O 3.05Å; Y60-P67 HydrophobicContact CE2-CB 3.74Å; Y60-P67 HydrophobicContact CE2-CG 4.43Å; Y60-P67 WeakPolarHBondContact OH-CB 3.14Å; Y60-P67 WeakPolarHBondContact OH-CG 3.28Å
61	R	43.5	Very low	39.7	Very low	212 Å²	212	113.3 Å²	113.3	80%	0.8	52%	0.515	S	S	*	.	H	α-helix	trans	-76.3	-31.9	175	-83.5	-172.3	173.2	-172.8	-0.9	113.6	V57 M58 I59	V57-R61 PolarHBondContact O-N 3.49Å; M58-R61 PolarHBondContact O-N 2.77Å; I59-R61 VanDerWaalsContact C-N 3.32Å; I59-R61 PolarHBondContact O-N 3.14Å
62	K	44.2	Very low	39.8	Very low	175 Å²	175	114.2 Å²	114.2	76%	0.761	52%	0.523	S	S	*	.	H	α-helix	trans	-83.6	-31.4	-178.9	-79.1	-174	174.2	-177.5	0	112.9	M58 I59 Q64	M58-K62 WeakPolarHBondContact O-CB 3.2Å; M58-K62 PolarHBondContact O-N 3.33Å; I59-K62 PolarHBondContact O-N 3.27Å; I59-K62 VanDerWaalsContact O-N 3.12Å; K62-Q64 PolarHBondContact O-N 3.46Å
63	S	38.2	Very low	39.5	Very low	28 Å²	28	112.4 Å²	112.4	20%	0.196	52%	0.519	C	S	.	.			trans	-79.7	107.7	169.4	64.8	0	0	0	0	107.4	I59 Y60 I65	I59-S63 WeakPolarHBondContact O-CB 3.28Å; I59-S63 PolarHBondContact O-N 2.67Å; I59-S63 PolarHBondContact O-OG 3.12Å; Y60-S63 VanDerWaalsContact O-O 3.05Å; S63-I65 PolarHBondContact O-N 3.4Å
64	Q	40.1	Very low	39.3	Very low	204 Å²	204	111.8 Å²	111.8	95%	0.953	51%	0.508	S	S	*	.			trans	-63.5	29.1	162.4	-66.6	-178.8	-19.2	0	0	112	K62	K62-Q64 PolarHBondContact O-N 3.46Å
65	I	39.2	Very low	39.2	Very low	87 Å²	87	105.2 Å²	105.2	45%	0.446	49%	0.493	S	S	.	.			trans	-88.7	119.9	-178.4	-62.5	176.1	0	0	0	106.2	S63 Y70	S63-I65 PolarHBondContact O-N 3.4Å; I65-Y70 HydrophobicContact CG2-CD2 4.43Å
66	N	38.5	Very low	39	Very low	88 Å²	88	107.9 Å²	107.9	47%	0.471	50%	0.504	S	S	.	.			trans	-50.1	125.8	177.4	-156.5	4.6	0	0	0	110.2	Y68 N69	N66-Y68 PolarHBondContact O-N 3.39Å; N66-Y68 WeakPolarHBondContact OD1-CD2 3.48Å; N66-N69 PolarHBondContact O-N 3.01Å
67	P	37.5	Very low	39	Very low	33 Å²	33	109.1 Å²	109.1	21%	0.214	51%	0.512	C	S	.	.	H	α-helix	trans	-46.6	-31.6	176.1	7.4	-25.3	0	0	0	114	Y60 N69 Y71	Y60-P67 HydrophobicContact CE2-CB 3.74Å; Y60-P67 HydrophobicContact CE2-CG 4.43Å; Y60-P67 WeakPolarHBondContact OH-CB 3.14Å; Y60-P67 WeakPolarHBondContact OH-CG 3.28Å; P67-N69 VanDerWaalsContact C-N 3.28Å; P67-N69 PolarHBondContact O-N 3.2Å; P67-Y71 WeakPolarHBondContact O-CD2 3.2Å
68	Y	34.3	Very low	39.1	Very low	130 Å²	130	110.9 Å²	110.9	51%	0.51	52%	0.519	S	S	.	.	H	α-helix	trans	-66.3	-27.2	-177.4	-63.5	-79.8	0	0	0	113.6	N66	N66-Y68 PolarHBondContact O-N 3.39Å; N66-Y68 WeakPolarHBondContact OD1-CD2 3.48Å
69	N	37.4	Very low	39	Very low	116 Å²	116	108.9 Å²	108.9	62%	0.62	51%	0.51	S	S	*	.	H	α-helix	trans	-92.7	-23.3	-176.8	-73.7	-0.6	0	0	0	113.5	N66 P67	N66-N69 PolarHBondContact O-N 3.01Å; P67-N69 VanDerWaalsContact C-N 3.28Å; P67-N69 PolarHBondContact O-N 3.2Å
70	Y	36.6	Very low	38.9	Very low	98 Å²	98	113.2 Å²	113.2	38%	0.384	52%	0.523	S	S	.	.	H	α-helix	trans	-83.7	-30.9	-177.8	-153.4	-93.3	0	0	0	112.5	I65 Y74	I65-Y70 HydrophobicContact CG2-CD2 4.43Å; Y70-Y74 HydrophobicContact CD1-CD2 4.07Å; Y70-Y74 HydrophobicContact CD1-CE2 4.46Å; Y70-Y74 AromaticContact CE1-CD2 3.67Å; Y70-Y74 HydrophobicContact CE1-CD2 3.67Å; Y70-Y74 AromaticContact CE1-CE2 3.67Å; Y70-Y74 HydrophobicContact CE1-CE2 3.67Å; Y70-Y74 HydrophobicContact CE1-CG 4.49Å; Y70-Y74 HydrophobicContact CE2-CE2 4.3Å; Y70-Y74 AromaticContact CZ-CE2 3.58Å
71	Y	36.9	Very low	39.5	Very low	143 Å²	143	111.1 Å²	111.1	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-75.3	-31.4	-179	-87.4	-90.1	0	0	0	113.4	P67 G73 C75	P67-Y71 WeakPolarHBondContact O-CD2 3.2Å; Y71-G73 PolarHBondContact O-N 3.42Å; Y71-C75 WeakPolarHBondContact O-CB 3.48Å; Y71-C75 PolarHBondContact O-N 2.9Å
72	Q	38.7	Very low	39.7	Very low	128 Å²	128	104.3 Å²	104.3	60%	0.598	50%	0.502	S	S	*	.	H	α-helix	trans	-66.4	-40.7	-174.8	-147	170.6	6.4	0	0	112	Q76	Q72-Q76 VanDerWaalsContact O-CB 3.28Å; Q72-Q76 WeakPolarHBondContact O-CB 3.37Å; Q72-Q76 WeakPolarHBondContact O-CG 3.38Å; Q72-Q76 PolarHBondContact O-N 3.3Å; Q72-Q76 PolarHBondContact O-OE1 3.24Å
73	G	37.2	Very low	39.8	Very low	35 Å²	35	97.1 Å²	97.1	36%	0.361	47%	0.472	S	S	.	.	H	α-helix	trans	-79.6	-32.1	-179.5	0	0	0	0	0	115.2	Y71 K77	Y71-G73 PolarHBondContact O-N 3.42Å; G73-K77 PolarHBondContact O-N 2.74Å; G73-K77 VanDerWaalsContact O-N 3.12Å
74	Y	36.1	Very low	40.3	Very low	135 Å²	135	101.7 Å²	101.7	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-85.6	-34.9	-178.5	-91.1	-85.8	0	0	0	113.4	Y70 N78	Y70-Y74 HydrophobicContact CD1-CD2 4.07Å; Y70-Y74 HydrophobicContact CD1-CE2 4.46Å; Y70-Y74 AromaticContact CE1-CD2 3.67Å; Y70-Y74 HydrophobicContact CE1-CD2 3.67Å; Y70-Y74 AromaticContact CE1-CE2 3.67Å; Y70-Y74 HydrophobicContact CE1-CE2 3.67Å; Y70-Y74 HydrophobicContact CE1-CG 4.49Å; Y70-Y74 HydrophobicContact CE2-CE2 4.3Å; Y70-Y74 AromaticContact CZ-CE2 3.58Å; Y74-N78 PolarHBondContact O-N 2.84Å
75	C	37.9	Very low	40.8	Very low	67 Å²	67	97.2 Å²	97.2	45%	0.453	47%	0.469	S	S	.	.	H	α-helix	trans	-64	-44.3	167.4	-94.6	0	0	0	0	110.1	Y71 K77 I79	Y71-C75 WeakPolarHBondContact O-CB 3.48Å; Y71-C75 PolarHBondContact O-N 2.9Å; C75-K77 PolarHBondContact O-N 2.85Å; C75-I79 HydrophobicContact CB-CD1 4.02Å; C75-I79 WeakPolarHBondContact O-CB 3.27Å; C75-I79 WeakPolarHBondContact O-CD1 3.29Å; C75-I79 WeakPolarHBondContact O-CG1 3.4Å; C75-I79 PolarHBondContact O-N 3.33Å
76	Q	38.5	Very low	41.2	Very low	105 Å²	105	95.6 Å²	95.6	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-57.8	-52.5	177.1	-83	175.4	-19.2	0	0	111.6	Q72 N78 I79 Y80	Q72-Q76 VanDerWaalsContact O-CB 3.28Å; Q72-Q76 WeakPolarHBondContact O-CB 3.37Å; Q72-Q76 WeakPolarHBondContact O-CG 3.38Å; Q72-Q76 PolarHBondContact O-N 3.3Å; Q72-Q76 PolarHBondContact O-OE1 3.24Å; Q76-N78 PolarHBondContact O-N 3.37Å; Q76-I79 PolarHBondContact O-N 3.48Å; Q76-Y80 HydrophobicContact CB-CD2 4.11Å; Q76-Y80 HydrophobicContact CB-CE2 4.26Å; Q76-Y80 HydrophobicContact CG-CE2 4.34Å; Q76-Y80 VanDerWaalsContact O-CB 3.23Å; Q76-Y80 WeakPolarHBondContact O-CB 3.36Å; Q76-Y80 WeakPolarHBondContact O-CD2 3.36Å; Q76-Y80 PolarHBondContact O-N 2.84Å
77	K	39.5	Very low	41.5	Very low	163 Å²	163	94.3 Å²	94.3	71%	0.709	45%	0.45	S	S	*	.	H	α-helix	trans	-63	-41	-176.4	-87.5	-175.8	174.6	-179.6	0	114.4	G73 C75 S81	G73-K77 PolarHBondContact O-N 2.74Å; G73-K77 VanDerWaalsContact O-N 3.12Å; C75-K77 PolarHBondContact O-N 2.85Å; K77-S81 WeakPolarHBondContact O-CB 3.43Å; K77-S81 PolarHBondContact O-N 3.29Å
78	N	43.7	Very low	41.9	Very low	116 Å²	116	97.2 Å²	97.2	62%	0.62	46%	0.463	S	S	*	.	H	α-helix	trans	-76.3	-35	-179.9	-78.9	-2.8	0	0	0	112.3	Y74 Q76 L82	Y74-N78 PolarHBondContact O-N 2.84Å; Q76-N78 PolarHBondContact O-N 3.37Å; N78-L82 VanDerWaalsContact O-CB 3.28Å; N78-L82 WeakPolarHBondContact O-CB 3.24Å; N78-L82 PolarHBondContact O-N 3.29Å
79	I	44.3	Very low	42.3	Very low	56 Å²	56	96.7 Å²	96.7	29%	0.287	46%	0.464	S	S	.	.	H	α-helix	trans	-69.9	-40	173.7	-65	168.1	0	0	0	110.1	C75 Q76 L82 M83	C75-I79 HydrophobicContact CB-CD1 4.02Å; C75-I79 WeakPolarHBondContact O-CB 3.27Å; C75-I79 WeakPolarHBondContact O-CD1 3.29Å; C75-I79 WeakPolarHBondContact O-CG1 3.4Å; C75-I79 PolarHBondContact O-N 3.33Å; Q76-I79 PolarHBondContact O-N 3.48Å; I79-L82 PolarHBondContact O-N 3.44Å; I79-M83 HydrophobicContact CG2-CG 4.1Å; I79-M83 HydrophobicContact CG2-SD 4.12Å; I79-M83 WeakPolarHBondContact O-CB 3.26Å; I79-M83 VanDerWaalsContact O-CG 3.24Å; I79-M83 WeakPolarHBondContact O-CG 3.03Å; I79-M83 PolarHBondContact O-N 3.45Å
80	Y	41.3	Very low	42.5	Very low	155 Å²	155	91.8 Å²	91.8	61%	0.608	44%	0.438	S	S	*	.	H	α-helix	trans	-62.1	-43.8	174.6	-90.3	-70	0	0	0	111.8	Q76 L82 M83 E84	Q76-Y80 HydrophobicContact CB-CD2 4.11Å; Q76-Y80 HydrophobicContact CB-CE2 4.26Å; Q76-Y80 HydrophobicContact CG-CE2 4.34Å; Q76-Y80 VanDerWaalsContact O-CB 3.23Å; Q76-Y80 WeakPolarHBondContact O-CB 3.36Å; Q76-Y80 WeakPolarHBondContact O-CD2 3.36Å; Q76-Y80 PolarHBondContact O-N 2.84Å; Y80-L82 VanDerWaalsContact C-N 3.35Å; Y80-L82 PolarHBondContact O-N 2.68Å; Y80-M83 PolarHBondContact O-N 2.69Å; Y80-E84 WeakPolarHBondContact O-CB 3.35Å; Y80-E84 PolarHBondContact O-N 2.83Å
81	S	46.2	Very low	42.6	Very low	59 Å²	59	96.7 Å²	96.7	41%	0.413	46%	0.456	S	S	.	.	H	α-helix	trans	-67.4	-34.9	177.7	-165.5	0	0	0	0	112.7	K77 H85	K77-S81 WeakPolarHBondContact O-CB 3.43Å; K77-S81 PolarHBondContact O-N 3.29Å; S81-H85 PolarHBondContact O-N 2.92Å; S81-H85 PolarHBondContact O-ND1 3.36Å
82	L	48.3	Very low	42.9	Very low	70 Å²	70	96.4 Å²	96.4	37%	0.366	46%	0.464	S	S	.	.	H	α-helix	trans	-71.5	-40.7	173.1	-166.7	79.2	0	0	0	111.8	Y31 N78 I79 Y80 H85 Y86	Y31-L82 HydrophobicContact CD1-CD1 4.45Å; Y31-L82 HydrophobicContact CE1-CD1 3.59Å; N78-L82 VanDerWaalsContact O-CB 3.28Å; N78-L82 WeakPolarHBondContact O-CB 3.24Å; N78-L82 PolarHBondContact O-N 3.29Å; I79-L82 PolarHBondContact O-N 3.44Å; Y80-L82 VanDerWaalsContact C-N 3.35Å; Y80-L82 PolarHBondContact O-N 2.68Å; L82-H85 PolarHBondContact O-N 2.88Å; L82-Y86 WeakPolarHBondContact O-CB 3.25Å; L82-Y86 PolarHBondContact O-N 2.99Å
83	M	44.8	Very low	43.2	Very low	24 Å²	24	95.6 Å²	95.6	12%	0.118	46%	0.463	C	S	.	.	H	α-helix	trans	-64.8	-39.6	175.9	-84.8	-172.4	146.6	0	0	111.4	I79 Y80 Y86 L87 F103 D107	I79-M83 HydrophobicContact CG2-CG 4.1Å; I79-M83 HydrophobicContact CG2-SD 4.12Å; I79-M83 WeakPolarHBondContact O-CB 3.26Å; I79-M83 VanDerWaalsContact O-CG 3.24Å; I79-M83 WeakPolarHBondContact O-CG 3.03Å; I79-M83 PolarHBondContact O-N 3.45Å; Y80-M83 PolarHBondContact O-N 2.69Å; M83-Y86 PolarHBondContact O-N 3.25Å; M83-L87 WeakPolarHBondContact O-CB 3.37Å; M83-L87 WeakPolarHBondContact O-CG 3.5Å; M83-L87 PolarHBondContact O-N 2.8Å; M83-F103 HydrophobicContact CE-CD1 4.15Å; M83-F103 HydrophobicContact CE-CE1 3.71Å; M83-F103 HydrophobicContact CG-CE1 4.42Å; M83-D107 HydrophobicContact CE-CB 3.69Å; M83-D107 VanDerWaalsContact CE-CG 3.48Å; M83-D107 WeakPolarHBondContact CE-OD2 3.34Å
84	E	49.6	Very low	43.5	Very low	123 Å²	123	96.9 Å²	96.9	58%	0.575	46%	0.461	S	S	*	.	H	α-helix	trans	-63.5	-44.3	177.5	-166.6	175.2	-162.5	0	0	110.7	Y80 L87 I88	Y80-E84 WeakPolarHBondContact O-CB 3.35Å; Y80-E84 PolarHBondContact O-N 2.83Å; E84-L87 PolarHBondContact O-N 3.32Å; E84-I88 HydrophobicContact CG-CD1 4.26Å; E84-I88 WeakPolarHBondContact O-CB 3.21Å; E84-I88 WeakPolarHBondContact O-CD1 3.33Å; E84-I88 WeakPolarHBondContact O-CG1 3.12Å; E84-I88 PolarHBondContact O-N 3.04Å
85	H	51.1	Low	43.8	Very low	110 Å²	110	97.3 Å²	97.3	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-41.3	173	-79.3	96.4	0	0	0	112.7	S81 L82 I88 F89	S81-H85 PolarHBondContact O-N 2.92Å; S81-H85 PolarHBondContact O-ND1 3.36Å; L82-H85 PolarHBondContact O-N 2.88Å; H85-I88 PolarHBondContact O-N 3.46Å; H85-F89 WeakPolarHBondContact O-CB 3.5Å; H85-F89 PolarHBondContact O-N 2.92Å
86	Y	47.4	Very low	44.1	Very low	53 Å²	53	96.9 Å²	96.9	21%	0.208	48%	0.475	C	S	.	.	H	α-helix	trans	-70.5	-35.4	178.7	-155.5	-96	0	0	0	112	L82 M83 F89 V90 F103	L82-Y86 WeakPolarHBondContact O-CB 3.25Å; L82-Y86 PolarHBondContact O-N 2.99Å; M83-Y86 PolarHBondContact O-N 3.25Å; Y86-F89 PolarHBondContact O-N 3.49Å; Y86-V90 HydrophobicContact CD1-CG2 3.69Å; Y86-V90 HydrophobicContact CE1-CG2 3.57Å; Y86-V90 WeakPolarHBondContact O-CB 3.4Å; Y86-V90 VanDerWaalsContact O-CG2 3.22Å; Y86-V90 WeakPolarHBondContact O-CG2 3.25Å; Y86-V90 PolarHBondContact O-N 3.04Å; Y86-F103 HydrophobicContact CD1-CE2 4.12Å; Y86-F103 AromaticContact CD1-CZ 3.84Å; Y86-F103 HydrophobicContact CD1-CZ 3.84Å; Y86-F103 AromaticContact CE1-CE2 3.95Å; Y86-F103 HydrophobicContact CE1-CE2 3.95Å; Y86-F103 HydrophobicContact CE1-CZ 4.12Å
87	L	44.6	Very low	44.5	Very low	61 Å²	61	96.8 Å²	96.8	32%	0.319	48%	0.484	S	S	.	.	H	α-helix	trans	-69.1	-38.9	174.7	-78	172.6	0	0	0	111.3	M83 E84 F89 R91 L100	M83-L87 WeakPolarHBondContact O-CB 3.37Å; M83-L87 WeakPolarHBondContact O-CG 3.5Å; M83-L87 PolarHBondContact O-N 2.8Å; E84-L87 PolarHBondContact O-N 3.32Å; L87-F89 VanDerWaalsContact C-N 3.33Å; L87-R91 WeakPolarHBondContact O-CA 3.06Å; L87-R91 WeakPolarHBondContact O-CB 3.3Å; L87-R91 PolarHBondContact O-N 2.76Å; L87-L100 HydrophobicContact CD1-CD1 4.46Å; L87-L100 HydrophobicContact CD2-CD1 3.31Å; L87-L100 HydrophobicContact CD2-CG 4.31Å; L87-L100 HydrophobicContact CG-CD1 4.48Å
88	I	46.3	Very low	44.7	Very low	95 Å²	95	95.5 Å²	95.5	49%	0.487	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-42.5	171.6	-68.6	163.3	0	0	0	110	E84 H85 N92	E84-I88 HydrophobicContact CG-CD1 4.26Å; E84-I88 WeakPolarHBondContact O-CB 3.21Å; E84-I88 WeakPolarHBondContact O-CD1 3.33Å; E84-I88 WeakPolarHBondContact O-CG1 3.12Å; E84-I88 PolarHBondContact O-N 3.04Å; H85-I88 PolarHBondContact O-N 3.46Å; I88-N92 PolarHBondContact O-N 3.47Å; I88-N92 PolarHBondContact O-ND2 2.8Å
89	F	41.8	Very low	44.7	Very low	118 Å²	118	92.6 Å²	92.6	52%	0.518	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-45.2	178	-170.9	-98.3	0	0	0	112.8	H85 Y86 L87 N92 I93	H85-F89 WeakPolarHBondContact O-CB 3.5Å; H85-F89 PolarHBondContact O-N 2.92Å; Y86-F89 PolarHBondContact O-N 3.49Å; L87-F89 VanDerWaalsContact C-N 3.33Å; F89-N92 PolarHBondContact O-N 3.23Å; F89-I93 HydrophobicContact CD1-CD1 4.04Å; F89-I93 HydrophobicContact CE1-CD1 3.61Å; F89-I93 HydrophobicContact CZ-CD1 3.97Å; F89-I93 WeakPolarHBondContact O-CG1 3.37Å
90	V	41.9	Very low	44.6	Very low	13 Å²	13	94 Å²	94	8%	0.079	47%	0.47	C	S	.	.	H	α-helix	trans	-73.9	-35.1	179.4	171.6	0	0	0	0	111.7	Y86 N92 I93 L94 F99	Y86-V90 HydrophobicContact CD1-CG2 3.69Å; Y86-V90 HydrophobicContact CE1-CG2 3.57Å; Y86-V90 WeakPolarHBondContact O-CB 3.4Å; Y86-V90 VanDerWaalsContact O-CG2 3.22Å; Y86-V90 WeakPolarHBondContact O-CG2 3.25Å; Y86-V90 PolarHBondContact O-N 3.04Å; V90-N92 PolarHBondContact O-N 2.88Å; V90-I93 CarbonylContact O-C 3.53Å; V90-I93 WeakPolarHBondContact O-CA 3.29Å; V90-I93 PolarHBondContact O-N 2.88Å; V90-L94 HydrophobicContact CG1-CB 4.3Å; V90-L94 HydrophobicContact CG1-CD1 4.24Å; V90-L94 PolarHBondContact O-N 2.84Å; V90-F99 HydrophobicContact CG1-CD1 3.71Å; V90-F99 HydrophobicContact CG1-CE1 3.59Å
91	R	39	Very low	44.8	Very low	202 Å²	202	95.6 Å²	95.6	76%	0.762	48%	0.475	S	S	*	.	H	α-helix	trans	-63.8	-28	175.6	-170	178.6	-172.9	-171.7	1.4	112.2	L87 I93	L87-R91 WeakPolarHBondContact O-CA 3.06Å; L87-R91 WeakPolarHBondContact O-CB 3.3Å; L87-R91 PolarHBondContact O-N 2.76Å; R91-I93 VanDerWaalsContact C-N 3.29Å
92	N	43.5	Very low	44.7	Very low	136 Å²	136	98.2 Å²	98.2	73%	0.727	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.7	171.2	-73.4	-19.4	0	0	0	113.5	I88 F89 V90	I88-N92 PolarHBondContact O-N 3.47Å; I88-N92 PolarHBondContact O-ND2 2.8Å; F89-N92 PolarHBondContact O-N 3.23Å; V90-N92 PolarHBondContact O-N 2.88Å
93	I	45.1	Very low	44.4	Very low	112 Å²	112	96.5 Å²	96.5	57%	0.574	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-27.3	-176.2	-61.3	174.9	0	0	0	112	F89 V90 R91	F89-I93 HydrophobicContact CD1-CD1 4.04Å; F89-I93 HydrophobicContact CE1-CD1 3.61Å; F89-I93 HydrophobicContact CZ-CD1 3.97Å; F89-I93 WeakPolarHBondContact O-CG1 3.37Å; V90-I93 CarbonylContact O-C 3.53Å; V90-I93 WeakPolarHBondContact O-CA 3.29Å; V90-I93 PolarHBondContact O-N 2.88Å; R91-I93 VanDerWaalsContact C-N 3.29Å
94	L	42.7	Very low	44.5	Very low	62 Å²	62	99.4 Å²	99.4	33%	0.325	49%	0.488	S	S	.	.			trans	-142.9	104.8	-170.3	-77.8	157.5	0	0	0	111	Y20 V90 S96 F99	Y20-L94 HydrophobicContact CE2-CD1 4.24Å; V90-L94 HydrophobicContact CG1-CB 4.3Å; V90-L94 HydrophobicContact CG1-CD1 4.24Å; V90-L94 PolarHBondContact O-N 2.84Å; L94-S96 PolarHBondContact O-N 3.07Å; L94-S96 VanDerWaalsContact O-N 3.16Å; L94-F99 HydrophobicContact CD1-CD2 4.23Å; L94-F99 HydrophobicContact CD1-CE1 4.32Å; L94-F99 HydrophobicContact CD1-CE2 3.94Å; L94-F99 HydrophobicContact CD1-CZ 4.02Å
95	T	43.5	Very low	44.3	Very low	144 Å²	144	99.3 Å²	99.3	88%	0.883	49%	0.491	S	S	*	.			trans	-79.7	18.3	-178	42.4	0	0	0	0	114.8
96	S	43.5	Very low	44.1	Very low	57 Å²	57	97.7 Å²	97.7	40%	0.399	48%	0.48	S	S	.	.			trans	-101.2	119.3	-173.7	-175.7	0	0	0	0	113.7	L94 H98 F99	L94-S96 PolarHBondContact O-N 3.07Å; L94-S96 VanDerWaalsContact O-N 3.16Å; S96-H98 PolarHBondContact O-N 2.98Å; S96-F99 WeakPolarHBondContact O-CB 3.33Å; S96-F99 PolarHBondContact O-N 3.1Å; S96-F99 VanDerWaalsContact O-N 3.09Å
97	P	45.7	Very low	44.3	Very low	103 Å²	103	97 Å²	97	67%	0.669	48%	0.48	S	S	*	.	H	α-helix	trans	-66.4	-17.9	178.2	25.3	-32.9	0	0	0	114	F99	P97-F99 PolarHBondContact O-N 3.39Å
98	H	44.1	Very low	44.2	Very low	137 Å²	137	99.3 Å²	99.3	63%	0.634	49%	0.493	S	S	*	.	H	α-helix	trans	-68.8	-27.3	173.4	-69.3	-76	0	0	0	112.5	S96 L100 R101 I102	S96-H98 PolarHBondContact O-N 2.98Å; H98-L100 VanDerWaalsContact C-N 3.33Å; H98-L100 PolarHBondContact O-N 2.71Å; H98-R101 PolarHBondContact O-N 3.22Å; H98-I102 PolarHBondContact O-N 3.37Å
99	F	43.3	Very low	44.3	Very low	55 Å²	55	98.7 Å²	98.7	24%	0.241	49%	0.493	C	S	.	.	H	α-helix	trans	-66.4	-38.2	-178.9	-161.9	-90.6	0	0	0	111.7	Y20 V90 L94 S96 P97 R101 I102 F103	Y20-F99 AromaticContact CE1-CE2 3.8Å; Y20-F99 HydrophobicContact CE1-CE2 3.8Å; Y20-F99 AromaticContact CE1-CZ 3.5Å; Y20-F99 HydrophobicContact CE1-CZ 3.5Å; Y20-F99 VanDerWaalsContact CE1-CZ 3.5Å; Y20-F99 AromaticContact CZ-CE2 3.95Å; Y20-F99 AromaticContact CZ-CZ 3.57Å; Y20-F99 WeakPolarHBondContact OH-CZ 3.41Å; V90-F99 HydrophobicContact CG1-CD1 3.71Å; V90-F99 HydrophobicContact CG1-CE1 3.59Å; L94-F99 HydrophobicContact CD1-CD2 4.23Å; L94-F99 HydrophobicContact CD1-CE1 4.32Å; L94-F99 HydrophobicContact CD1-CE2 3.94Å; L94-F99 HydrophobicContact CD1-CZ 4.02Å; S96-F99 WeakPolarHBondContact O-CB 3.33Å; S96-F99 PolarHBondContact O-N 3.1Å; S96-F99 VanDerWaalsContact O-N 3.09Å; P97-F99 PolarHBondContact O-N 3.39Å; F99-R101 PolarHBondContact O-N 3.14Å; F99-I102 PolarHBondContact O-N 2.96Å; F99-F103 WeakPolarHBondContact O-CB 3.41Å; F99-F103 PolarHBondContact O-N 2.9Å
100	L	43.6	Very low	44.6	Very low	85 Å²	85	97 Å²	97	45%	0.445	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-42.5	177.9	-154	99.3	0	0	0	112.1	L87 H98 F103 L104	L87-L100 HydrophobicContact CD1-CD1 4.46Å; L87-L100 HydrophobicContact CD2-CD1 3.31Å; L87-L100 HydrophobicContact CD2-CG 4.31Å; L87-L100 HydrophobicContact CG-CD1 4.48Å; H98-L100 VanDerWaalsContact C-N 3.33Å; H98-L100 PolarHBondContact O-N 2.71Å; L100-F103 PolarHBondContact O-N 2.91Å; L100-L104 HydrophobicContact CD2-CD1 4.22Å; L100-L104 HydrophobicContact CG-CD1 4.47Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.32Å; L100-L104 PolarHBondContact O-N 3.17Å
101	R	45.1	Very low	44.8	Very low	189 Å²	189	99 Å²	99	71%	0.713	50%	0.498	S	S	*	.	H	α-helix	trans	-67.3	-42	179.6	-82.9	-174.4	172.5	-174.3	-1.5	112.4	H98 F99 F103 L104 L105	H98-R101 PolarHBondContact O-N 3.22Å; F99-R101 PolarHBondContact O-N 3.14Å; R101-F103 VanDerWaalsContact C-N 3.31Å; R101-L104 PolarHBondContact O-N 3.42Å; R101-L105 WeakPolarHBondContact O-CB 3.37Å; R101-L105 PolarHBondContact O-N 2.97Å
102	I	43.1	Very low	45.1	Very low	114 Å²	114	94.5 Å²	94.5	59%	0.585	49%	0.489	S	S	*	.	H	α-helix	trans	-66.3	-38.1	179.3	-64.3	170.5	0	0	0	110.4	H98 F99 L105 W106	H98-I102 PolarHBondContact O-N 3.37Å; F99-I102 PolarHBondContact O-N 2.96Å; I102-L105 PolarHBondContact O-N 3.26Å; I102-W106 WeakPolarHBondContact O-CB 3.49Å; I102-W106 PolarHBondContact O-N 3Å
103	F	43.2	Very low	45.1	Very low	34 Å²	34	93.1 Å²	93.1	15%	0.149	48%	0.481	C	S	.	.	H	α-helix	trans	-66.6	-44.6	176.4	-168.5	-99.4	0	0	0	112.4	M83 Y86 F99 L100 R101 L105 W106 D107	M83-F103 HydrophobicContact CE-CD1 4.15Å; M83-F103 HydrophobicContact CE-CE1 3.71Å; M83-F103 HydrophobicContact CG-CE1 4.42Å; Y86-F103 HydrophobicContact CD1-CE2 4.12Å; Y86-F103 AromaticContact CD1-CZ 3.84Å; Y86-F103 HydrophobicContact CD1-CZ 3.84Å; Y86-F103 AromaticContact CE1-CE2 3.95Å; Y86-F103 HydrophobicContact CE1-CE2 3.95Å; Y86-F103 HydrophobicContact CE1-CZ 4.12Å; F99-F103 WeakPolarHBondContact O-CB 3.41Å; F99-F103 PolarHBondContact O-N 2.9Å; L100-F103 PolarHBondContact O-N 2.91Å; R101-F103 VanDerWaalsContact C-N 3.31Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 3.42Å; F103-W106 HydrophobicContact CD2-CE3 4.14Å; F103-W106 HydrophobicContact CD2-CZ3 4.48Å; F103-W106 HydrophobicContact CE2-CE3 4.12Å; F103-W106 HydrophobicContact CE2-CZ3 4.09Å; F103-W106 PolarHBondContact O-N 2.97Å; F103-D107 PolarHBondContact O-N 3.36Å
104	L	45.9	Very low	45.1	Very low	84 Å²	84	92.5 Å²	92.5	44%	0.44	48%	0.482	S	S	.	.	H	α-helix	trans	-62.3	-38.7	175.7	-72.7	167.9	0	0	0	112.7	L100 R101 N108	L100-L104 HydrophobicContact CD2-CD1 4.22Å; L100-L104 HydrophobicContact CG-CD1 4.47Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.32Å; L100-L104 PolarHBondContact O-N 3.17Å; R101-L104 PolarHBondContact O-N 3.42Å; L104-N108 PolarHBondContact O-N 2.95Å
105	L	45.9	Very low	45.2	Very low	122 Å²	122	95.7 Å²	95.7	64%	0.639	49%	0.491	S	S	*	.	H	α-helix	trans	-66	-39.5	174.5	-95.6	147.7	0	0	0	112.3	R101 I102 F103 T109	R101-L105 WeakPolarHBondContact O-CB 3.37Å; R101-L105 PolarHBondContact O-N 2.97Å; I102-L105 PolarHBondContact O-N 3.26Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 3.42Å; L105-T109 PolarHBondContact O-N 3.33Å
106	W	47.5	Very low	45.2	Very low	76 Å²	76	95.4 Å²	95.4	29%	0.288	47%	0.474	S	S	.	.	H	α-helix	trans	-66.6	-39	178.6	-175.8	44.3	0	0	0	112.2	I102 F103 T109 R110	I102-W106 WeakPolarHBondContact O-CB 3.49Å; I102-W106 PolarHBondContact O-N 3Å; F103-W106 HydrophobicContact CD2-CE3 4.14Å; F103-W106 HydrophobicContact CD2-CZ3 4.48Å; F103-W106 HydrophobicContact CE2-CE3 4.12Å; F103-W106 HydrophobicContact CE2-CZ3 4.09Å; F103-W106 PolarHBondContact O-N 2.97Å; W106-T109 PolarHBondContact O-N 2.94Å; W106-T109 PolarHBondContact O-OG1 3.15Å; W106-R110 PolarHBondContact O-N 2.78Å; W106-R110 VanDerWaalsContact O-N 3.14Å
107	D	50.3	Low	45.2	Very low	39 Å²	39	97 Å²	97	21%	0.209	48%	0.479	C	S	.	.	H	α-helix	trans	-72	-34.8	-177.5	-158	44.1	0	0	0	113.1	M83 F103 T109 R110 C111	M83-D107 HydrophobicContact CE-CB 3.69Å; M83-D107 VanDerWaalsContact CE-CG 3.48Å; M83-D107 WeakPolarHBondContact CE-OD2 3.34Å; F103-D107 PolarHBondContact O-N 3.36Å; D107-T109 VanDerWaalsContact C-N 3.3Å; D107-T109 PolarHBondContact O-N 2.89Å; D107-R110 PolarHBondContact O-N 3.48Å; D107-C111 WeakPolarHBondContact O-CB 3.28Å; D107-C111 PolarHBondContact O-N 2.8Å; D107-C111 PolarHBondContact O-SG 3.38Å
108	N	43.4	Very low	45.2	Very low	108 Å²	108	98 Å²	98	58%	0.578	47%	0.473	S	S	*	.	H	α-helix	trans	-57.8	-44.5	170.4	-79.2	-25.3	0	0	0	111.2	L104 R110 C111 D112	L104-N108 PolarHBondContact O-N 2.95Å; N108-R110 VanDerWaalsContact C-N 3.34Å; N108-R110 PolarHBondContact O-N 3.26Å; N108-C111 PolarHBondContact O-N 2.99Å; N108-D112 WeakPolarHBondContact O-CB 3.5Å; N108-D112 VanDerWaalsContact O-CG 3.31Å; N108-D112 PolarHBondContact O-N 3.19Å
109	T	48.5	Very low	45.3	Very low	82 Å²	82	97.4 Å²	97.4	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-67.1	-31.3	178.5	58.4	0	0	0	0	113.8	L105 W106 D107 L113	L105-T109 PolarHBondContact O-N 3.33Å; W106-T109 PolarHBondContact O-N 2.94Å; W106-T109 PolarHBondContact O-OG1 3.15Å; D107-T109 VanDerWaalsContact C-N 3.3Å; D107-T109 PolarHBondContact O-N 2.89Å; T109-L113 WeakPolarHBondContact O-CB 3.35Å; T109-L113 PolarHBondContact O-N 3.33Å
110	R	48.7	Very low	45.4	Very low	82 Å²	82	103 Å²	103	31%	0.309	49%	0.487	S	S	.	.	H	α-helix	trans	-76.6	-39.7	176	-92.9	-169.4	168.2	171.8	5.6	112.2	D25 W106 D107 N108 D112 L113 V114	D25-R110 IonicContact OD1-CZ 3.6Å; D25-R110 IonicContact OD1-NH1 3.6Å; D25-R110 IonicContact OD1-NH2 2.76Å; D25-R110 PolarHBondContact OD1-NH2 2.92Å; D25-R110 IonicContact OD2-NH2 3.74Å; W106-R110 PolarHBondContact O-N 2.78Å; W106-R110 VanDerWaalsContact O-N 3.14Å; D107-R110 PolarHBondContact O-N 3.48Å; N108-R110 VanDerWaalsContact C-N 3.34Å; N108-R110 PolarHBondContact O-N 3.26Å; R110-D112 VanDerWaalsContact C-N 3.29Å; R110-D112 PolarHBondContact O-N 3.12Å; R110-L113 PolarHBondContact O-N 2.88Å; R110-V114 WeakPolarHBondContact O-CB 3.49Å; R110-V114 VanDerWaalsContact O-CG2 3.3Å; R110-V114 WeakPolarHBondContact O-CG2 3.21Å; R110-V114 PolarHBondContact O-N 3.41Å
111	C	44.9	Very low	45.6	Very low	57 Å²	57	101.5 Å²	101.5	39%	0.385	49%	0.493	S	S	.	.	H	α-helix	trans	-60.1	-42.5	173.3	-74.6	0	0	0	0	111	D107 N108 V114 Y115	D107-C111 WeakPolarHBondContact O-CB 3.28Å; D107-C111 PolarHBondContact O-N 2.8Å; D107-C111 PolarHBondContact O-SG 3.38Å; N108-C111 PolarHBondContact O-N 2.99Å; C111-V114 PolarHBondContact O-N 3.49Å; C111-Y115 VanDerWaalsContact O-CB 3.25Å; C111-Y115 WeakPolarHBondContact O-CB 3.14Å; C111-Y115 PolarHBondContact O-N 2.98Å
112	D	46.3	Very low	45.7	Very low	107 Å²	107	98.2 Å²	98.2	57%	0.572	48%	0.484	S	S	*	.	H	α-helix	trans	-64.5	-40.7	174.6	-72.5	-23.8	0	0	0	112.2	N108 R110 Y115 Y116	N108-D112 WeakPolarHBondContact O-CB 3.5Å; N108-D112 VanDerWaalsContact O-CG 3.31Å; N108-D112 PolarHBondContact O-N 3.19Å; R110-D112 VanDerWaalsContact C-N 3.29Å; R110-D112 PolarHBondContact O-N 3.12Å; D112-Y115 PolarHBondContact O-N 2.71Å; D112-Y116 WeakPolarHBondContact O-CB 3.49Å; D112-Y116 PolarHBondContact O-N 2.8Å
113	L	43.2	Very low	45.7	Very low	106 Å²	106	98 Å²	98	56%	0.555	49%	0.492	S	S	*	.	H	α-helix	trans	-67.7	-40.8	178.7	-158.6	87.4	0	0	0	112.4	T109 R110 Y116 N117	T109-L113 WeakPolarHBondContact O-CB 3.35Å; T109-L113 PolarHBondContact O-N 3.33Å; R110-L113 PolarHBondContact O-N 2.88Å; L113-Y116 PolarHBondContact O-N 3.4Å; L113-N117 WeakPolarHBondContact O-CB 3.46Å; L113-N117 PolarHBondContact O-N 3.38Å; L113-N117 PolarHBondContact O-ND2 3.07Å
114	V	45.3	Very low	45.6	Very low	99 Å²	99	104 Å²	104	60%	0.6	54%	0.538	S	S	*	.	H	α-helix	trans	-66.4	-42.3	175.5	172.7	0	0	0	0	110.1	R110 C111 F118	R110-V114 WeakPolarHBondContact O-CB 3.49Å; R110-V114 VanDerWaalsContact O-CG2 3.3Å; R110-V114 WeakPolarHBondContact O-CG2 3.21Å; R110-V114 PolarHBondContact O-N 3.41Å; C111-V114 PolarHBondContact O-N 3.49Å; V114-F118 VanDerWaalsContact O-CB 3.29Å; V114-F118 WeakPolarHBondContact O-CB 3.21Å; V114-F118 PolarHBondContact O-N 3.37Å
115	Y	43.4	Very low	45.5	Very low	129 Å²	129	105 Å²	105	51%	0.506	54%	0.543	S	S	.	.	H	α-helix	trans	-61.5	-44.2	174	-177.1	-105	0	0	0	111.8	C111 D112 F118 K119	C111-Y115 VanDerWaalsContact O-CB 3.25Å; C111-Y115 WeakPolarHBondContact O-CB 3.14Å; C111-Y115 PolarHBondContact O-N 2.98Å; D112-Y115 PolarHBondContact O-N 2.71Å; Y115-F118 PolarHBondContact O-N 3.41Å; Y115-K119 WeakPolarHBondContact O-CB 3.45Å; Y115-K119 PolarHBondContact O-N 2.7Å
116	Y	44.3	Very low	45.5	Very low	139 Å²	139	104.1 Å²	104.1	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-46.7	178.5	-168.3	-91.5	0	0	0	112.1	D112 L113 K119 R120	D112-Y116 WeakPolarHBondContact O-CB 3.49Å; D112-Y116 PolarHBondContact O-N 2.8Å; L113-Y116 PolarHBondContact O-N 3.4Å; Y116-K119 PolarHBondContact O-N 3.48Å; Y116-R120 WeakPolarHBondContact O-CB 3.32Å; Y116-R120 PolarHBondContact O-N 3.07Å
117	N	44.5	Very low	45.4	Very low	91 Å²	91	105.6 Å²	105.6	49%	0.487	55%	0.552	S	S	.	*	H	α-helix	trans	-67.7	-37.1	179	-74.5	-29.7	0	0	0	112.5	L113 K119 R120 G121	L113-N117 WeakPolarHBondContact O-CB 3.46Å; L113-N117 PolarHBondContact O-N 3.38Å; L113-N117 PolarHBondContact O-ND2 3.07Å; N117-K119 VanDerWaalsContact C-N 3.35Å; N117-R120 PolarHBondContact O-N 3Å; N117-G121 PolarHBondContact O-N 3.41Å
118	F	45	Very low	45.1	Very low	124 Å²	124	109.5 Å²	109.5	54%	0.544	57%	0.572	S	S	.	*	H	α-helix	trans	-67.7	-35.9	175.4	-168.9	-100.7	0	0	0	112.2	V114 Y115 K122	V114-F118 VanDerWaalsContact O-CB 3.29Å; V114-F118 WeakPolarHBondContact O-CB 3.21Å; V114-F118 PolarHBondContact O-N 3.37Å; Y115-F118 PolarHBondContact O-N 3.41Å; F118-K122 HydrophobicContact CE1-CD 4.27Å
119	K	45.1	Very low	45.2	Very low	123 Å²	123	109.6 Å²	109.6	54%	0.535	57%	0.572	S	S	.	*	H	α-helix	trans	-69.3	-38.5	174.9	-155.4	179.5	-175	-174.3	0	111.4	Y115 Y116 N117 K122	Y115-K119 WeakPolarHBondContact O-CB 3.45Å; Y115-K119 PolarHBondContact O-N 2.7Å; Y116-K119 PolarHBondContact O-N 3.48Å; N117-K119 VanDerWaalsContact C-N 3.35Å; K119-K122 PolarHBondContact O-N 3.02Å
120	R	46.5	Very low	45	Very low	172 Å²	172	111.5 Å²	111.5	65%	0.649	58%	0.576	S	S	*	*	H	α-helix	trans	-71.9	-34.7	179.6	-148.2	177.3	-174.4	-176.3	2.1	113	Y116 N117 K122 S123	Y116-R120 WeakPolarHBondContact O-CB 3.32Å; Y116-R120 PolarHBondContact O-N 3.07Å; N117-R120 PolarHBondContact O-N 3Å; R120-K122 PolarHBondContact O-N 3.3Å; R120-S123 PolarHBondContact O-N 3.36Å
121	G	47.4	Very low	44.8	Very low	54 Å²	54	113.6 Å²	113.6	56%	0.557	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-3.3	174.4	0	0	0	0	0	115.5	N117	N117-G121 PolarHBondContact O-N 3.41Å
122	K	47.2	Very low	44.7	Very low	120 Å²	120	117.9 Å²	117.9	52%	0.522	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.5	-0.2	173.5	-77.7	-173.4	175	-176.9	0	113.6	F118 K119 R120	F118-K122 HydrophobicContact CE1-CD 4.27Å; K119-K122 PolarHBondContact O-N 3.02Å; R120-K122 PolarHBondContact O-N 3.3Å
123	S	44.2	Very low	44.6	Very low	110 Å²	110	118.8 Å²	118.8	77%	0.769	62%	0.615	S	S	*	*			trans	-105.8	14.1	-179.9	-64.7	0	0	0	0	113.8	R120	R120-S123 PolarHBondContact O-N 3.36Å
124	S	39.3	Very low	44.7	Very low	159 Å²	159	120 Å²	120	100%	1.112	62%	0.62	S	S	*	*			trans	-125	0	172.8	58.3	0	0	0	0	109.3

Retrieved 124 of 124 residues in 181.1 ms (Link to these results)

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