A0A077YXJ5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 aa.

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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	38.2	Very low	40.5	Very low	245 Å²	245	126.5 Å²	126.5	100%	1.207	65%	0.649	S	S	*	*				0	97.1	0	-146.4	173.4	-163.6	0	0	107	N3	M1-N3 PolarHBondContact O-N 3.25Å
2	F	30.2	Very low	40.9	Very low	209 Å²	209	130.6 Å²	130.6	92%	0.917	65%	0.651	S	S	*	*			trans	-69	124.4	179.3	-113.9	-96.7	0	0	0	108.3	I4	F2-I4 PolarHBondContact O-N 3.35Å
3	N	37.3	Very low	41.6	Very low	111 Å²	111	131.8 Å²	131.8	59%	0.594	65%	0.649	S	S	*	*			trans	-81.7	83.1	-167.6	-140.9	-5.5	0	0	0	109.6	M1 L5 T6	M1-N3 PolarHBondContact O-N 3.25Å; N3-L5 PolarHBondContact O-N 3.02Å; N3-T6 WeakPolarHBondContact CB-OG1 3.49Å; N3-T6 PolarHBondContact O-N 3.25Å
4	I	34	Very low	41.7	Very low	122 Å²	122	125.9 Å²	125.9	63%	0.626	63%	0.632	S	S	*	*	H	α-helix	trans	-53	-25.7	-177	-65.1	169.2	0	0	0	112.2	F2 R8	F2-I4 PolarHBondContact O-N 3.35Å; I4-R8 PolarHBondContact O-N 2.96Å
5	L	32.8	Very low	41.7	Very low	123 Å²	123	121.8 Å²	121.8	64%	0.644	61%	0.612	S	S	*	*	H	α-helix	trans	-72.3	-33.5	176.2	-74.2	163.8	0	0	0	113.5	N3 N9	N3-L5 PolarHBondContact O-N 3.02Å; L5-N9 PolarHBondContact O-N 2.68Å; L5-N9 PolarHBondContact O-ND2 3.35Å
6	T	39.9	Very low	42.1	Very low	78 Å²	78	121.8 Å²	121.8	48%	0.479	61%	0.61	S	S	.	*	H	α-helix	trans	-72.6	-35.6	179	-44	0	0	0	0	111.2	N3 S10	N3-T6 WeakPolarHBondContact CB-OG1 3.49Å; N3-T6 PolarHBondContact O-N 3.25Å; T6-S10 WeakPolarHBondContact O-CB 3.26Å; T6-S10 PolarHBondContact O-N 2.96Å; T6-S10 VanDerWaalsContact O-N 3.09Å; T6-S10 PolarHBondContact O-OG 3.22Å
7	D	48.9	Very low	42.3	Very low	121 Å²	121	121 Å²	121	65%	0.647	61%	0.608	S	S	*	*	H	α-helix	trans	-69.8	-45.2	179.4	-162.3	27.7	0	0	0	111.5	N9 S10 A11	D7-N9 PolarHBondContact O-N 3.31Å; D7-S10 PolarHBondContact O-N 3.39Å; D7-S10 VanDerWaalsContact O-N 3.17Å; D7-A11 WeakPolarHBondContact O-CB 3.25Å; D7-A11 PolarHBondContact O-N 2.87Å
8	R	41.9	Very low	42.3	Very low	172 Å²	172	118.2 Å²	118.2	65%	0.649	59%	0.593	S	S	*	*	H	α-helix	trans	-60.6	-40.7	174.8	-78.9	-176.7	171.6	179.2	-1.7	113.6	I4 S10 R12	I4-R8 PolarHBondContact O-N 2.96Å; R8-S10 VanDerWaalsContact C-N 3.34Å; R8-R12 WeakPolarHBondContact O-CG 3.47Å; R8-R12 PolarHBondContact O-N 2.97Å
9	N	54.7	Low	42.3	Very low	92 Å²	92	113.7 Å²	113.7	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-69.5	-33.8	177.6	-79.6	-21.4	0	0	0	112.1	L5 D7 K13	L5-N9 PolarHBondContact O-N 2.68Å; L5-N9 PolarHBondContact O-ND2 3.35Å; D7-N9 PolarHBondContact O-N 3.31Å; N9-K13 PolarHBondContact O-N 2.81Å; N9-K13 VanDerWaalsContact O-N 3.1Å
10	S	45.3	Very low	42.7	Very low	68 Å²	68	112.3 Å²	112.3	48%	0.476	57%	0.568	S	S	.	*	H	α-helix	trans	-69.3	-44.6	175.8	-57.6	0	0	0	0	111.3	T6 D7 R8 R12 K13 A14	T6-S10 WeakPolarHBondContact O-CB 3.26Å; T6-S10 PolarHBondContact O-N 2.96Å; T6-S10 VanDerWaalsContact O-N 3.09Å; T6-S10 PolarHBondContact O-OG 3.22Å; D7-S10 PolarHBondContact O-N 3.39Å; D7-S10 VanDerWaalsContact O-N 3.17Å; R8-S10 VanDerWaalsContact C-N 3.34Å; S10-R12 PolarHBondContact O-N 3.35Å; S10-K13 PolarHBondContact O-N 2.91Å; S10-A14 PolarHBondContact O-N 3.09Å
11	A	42.3	Very low	42.9	Very low	50 Å²	50	108.8 Å²	108.8	41%	0.413	56%	0.556	S	S	.	*	H	α-helix	trans	-60.1	-43.7	174.4	0	0	0	0	0	112.3	D7 K13 A14 L15	D7-A11 WeakPolarHBondContact O-CB 3.25Å; D7-A11 PolarHBondContact O-N 2.87Å; A11-K13 PolarHBondContact O-N 3.24Å; A11-A14 PolarHBondContact O-N 2.76Å; A11-L15 WeakPolarHBondContact O-CG 3.47Å; A11-L15 PolarHBondContact O-N 3.17Å
12	R	45.9	Very low	43.2	Very low	176 Å²	176	99.1 Å²	99.1	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-43.5	175.1	-79.7	179.4	174.7	170.7	-3.2	112.9	R8 S10 L15 Q16	R8-R12 WeakPolarHBondContact O-CG 3.47Å; R8-R12 PolarHBondContact O-N 2.97Å; S10-R12 PolarHBondContact O-N 3.35Å; R12-L15 PolarHBondContact O-N 3.46Å; R12-Q16 WeakPolarHBondContact O-CB 3.39Å; R12-Q16 PolarHBondContact O-N 3.4Å
13	K	49.8	Very low	44.2	Very low	146 Å²	146	92.5 Å²	92.5	64%	0.635	48%	0.484	S	S	*	.	H	α-helix	trans	-63.6	-40.8	175.5	-79.1	-176.4	177.8	-177.3	0	111.9	N9 S10 A11 Q16 N17	N9-K13 PolarHBondContact O-N 2.81Å; N9-K13 VanDerWaalsContact O-N 3.1Å; S10-K13 PolarHBondContact O-N 2.91Å; A11-K13 PolarHBondContact O-N 3.24Å; K13-Q16 PolarHBondContact O-N 3.01Å; K13-N17 WeakPolarHBondContact O-CB 3.32Å; K13-N17 PolarHBondContact O-N 3.4Å; K13-N17 PolarHBondContact O-ND2 3.11Å
14	A	42.4	Very low	44.8	Very low	49 Å²	49	90.6 Å²	90.6	41%	0.405	48%	0.48	S	S	.	.	H	α-helix	trans	-61.2	-48.5	175.6	0	0	0	0	0	111.4	S10 A11 Q16 N17 M18	S10-A14 PolarHBondContact O-N 3.09Å; A11-A14 PolarHBondContact O-N 2.76Å; A14-Q16 VanDerWaalsContact C-N 3.34Å; A14-Q16 PolarHBondContact O-N 3.09Å; A14-N17 PolarHBondContact O-N 2.78Å; A14-M18 VanDerWaalsContact O-CG 3.29Å; A14-M18 WeakPolarHBondContact O-CG 3.49Å; A14-M18 PolarHBondContact O-N 3.47Å
15	L	42.1	Very low	45.4	Very low	65 Å²	65	85.1 Å²	85.1	34%	0.34	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-40.9	176.3	-73.2	170.4	0	0	0	112.5	A11 R12 M18 S19	A11-L15 WeakPolarHBondContact O-CG 3.47Å; A11-L15 PolarHBondContact O-N 3.17Å; R12-L15 PolarHBondContact O-N 3.46Å; L15-M18 PolarHBondContact O-N 3.31Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.42Å
16	Q	48.4	Very low	46.1	Very low	122 Å²	122	81.6 Å²	81.6	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-67.6	-39.7	177.6	-167.8	166.1	7.7	0	0	111.8	R12 K13 A14 S19 N20	R12-Q16 WeakPolarHBondContact O-CB 3.39Å; R12-Q16 PolarHBondContact O-N 3.4Å; K13-Q16 PolarHBondContact O-N 3.01Å; A14-Q16 VanDerWaalsContact C-N 3.34Å; A14-Q16 PolarHBondContact O-N 3.09Å; Q16-S19 PolarHBondContact O-N 3.35Å; Q16-N20 WeakPolarHBondContact O-CB 3.3Å; Q16-N20 PolarHBondContact O-N 2.82Å; Q16-N20 PolarHBondContact O-ND2 2.85Å
17	N	45.8	Very low	46.7	Very low	108 Å²	108	81.2 Å²	81.2	58%	0.578	43%	0.432	S	S	*	.	H	α-helix	trans	-64.4	-40.4	173.3	-72.7	-14.9	0	0	0	111.7	K13 A14 N20 A21	K13-N17 WeakPolarHBondContact O-CB 3.32Å; K13-N17 PolarHBondContact O-N 3.4Å; K13-N17 PolarHBondContact O-ND2 3.11Å; A14-N17 PolarHBondContact O-N 2.78Å; N17-N20 PolarHBondContact O-N 2.83Å; N17-A21 WeakPolarHBondContact O-CB 3.4Å; N17-A21 PolarHBondContact O-N 3.46Å
18	M	41.7	Very low	46.7	Very low	70 Å²	70	78.4 Å²	78.4	35%	0.345	41%	0.413	S	S	.	.	H	α-helix	trans	-62.4	-47.1	174.4	-72.4	173.1	69.8	0	0	111.4	A14 L15 N20 A21 F22	A14-M18 VanDerWaalsContact O-CG 3.29Å; A14-M18 WeakPolarHBondContact O-CG 3.49Å; A14-M18 PolarHBondContact O-N 3.47Å; L15-M18 PolarHBondContact O-N 3.31Å; M18-N20 VanDerWaalsContact C-N 3.34Å; M18-N20 PolarHBondContact O-N 3.36Å; M18-A21 PolarHBondContact O-N 2.82Å; M18-F22 VanDerWaalsContact O-CB 3.27Å; M18-F22 WeakPolarHBondContact O-CB 3.46Å; M18-F22 PolarHBondContact O-N 2.71Å
19	S	43	Very low	47	Very low	33 Å²	33	71.3 Å²	71.3	23%	0.231	39%	0.387	C	S	.	.	H	α-helix	trans	-62.9	-39.3	177.8	-167	0	0	0	0	112.3	L15 Q16 F22 T23 E146	L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.42Å; Q16-S19 PolarHBondContact O-N 3.35Å; S19-F22 PolarHBondContact O-N 2.87Å; S19-T23 WeakPolarHBondContact O-CB 3.18Å; S19-T23 PolarHBondContact O-N 3.36Å; S19-T23 PolarHBondContact O-OG1 3.43Å; S19-E146 WeakPolarHBondContact CB-OE1 3.5Å; S19-E146 PolarHBondContact OG-OE1 2.89Å
20	N	50	Low	46.8	Very low	86 Å²	86	74.5 Å²	74.5	46%	0.46	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-43.9	174.4	-73.2	-17.7	0	0	0	112	Q16 N17 M18 F22 T23 S24	Q16-N20 WeakPolarHBondContact O-CB 3.3Å; Q16-N20 PolarHBondContact O-N 2.82Å; Q16-N20 PolarHBondContact O-ND2 2.85Å; N17-N20 PolarHBondContact O-N 2.83Å; M18-N20 VanDerWaalsContact C-N 3.34Å; M18-N20 PolarHBondContact O-N 3.36Å; N20-F22 VanDerWaalsContact C-N 3.32Å; N20-T23 PolarHBondContact O-N 2.94Å; N20-S24 VanDerWaalsContact O-CB 3.26Å; N20-S24 WeakPolarHBondContact O-CB 3.33Å; N20-S24 PolarHBondContact O-N 2.92Å; N20-S24 PolarHBondContact O-OG 3.45Å
21	A	46	Very low	47.2	Very low	38 Å²	38	76.4 Å²	76.4	31%	0.314	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-41.4	176.6	0	0	0	0	0	111	N17 M18 S24 G25 L73	N17-A21 WeakPolarHBondContact O-CB 3.4Å; N17-A21 PolarHBondContact O-N 3.46Å; M18-A21 PolarHBondContact O-N 2.82Å; A21-S24 PolarHBondContact O-N 3.37Å; A21-G25 PolarHBondContact O-N 2.92Å; A21-L73 HydrophobicContact CB-CD2 4.43Å
22	F	45.4	Very low	47.5	Very low	43 Å²	43	74.5 Å²	74.5	19%	0.189	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-51.2	175.7	-175	-108.9	0	0	0	111.9	M18 S19 N20 S24 G25 Q26 M142 K143	M18-F22 VanDerWaalsContact O-CB 3.27Å; M18-F22 WeakPolarHBondContact O-CB 3.46Å; M18-F22 PolarHBondContact O-N 2.71Å; S19-F22 PolarHBondContact O-N 2.87Å; N20-F22 VanDerWaalsContact C-N 3.32Å; F22-S24 VanDerWaalsContact C-N 3.28Å; F22-S24 PolarHBondContact O-N 3.42Å; F22-G25 PolarHBondContact O-N 3.34Å; F22-G25 VanDerWaalsContact O-N 3.13Å; F22-Q26 HydrophobicContact CD1-CG 4.38Å; F22-Q26 VanDerWaalsContact CE1-CD 3.41Å; F22-Q26 HydrophobicContact CE1-CG 4.11Å; F22-Q26 HydrophobicContact CE2-CG 4.47Å; F22-Q26 HydrophobicContact CZ-CG 4.15Å; F22-Q26 WeakPolarHBondContact O-CG 3.17Å; F22-Q26 PolarHBondContact O-N 3.01Å; F22-M142 HydrophobicContact CE2-CB 3.47Å; F22-M142 VanDerWaalsContact CE2-CB 3.47Å; F22-M142 HydrophobicContact CE2-CE 3.78Å; F22-M142 HydrophobicContact CE2-CG 4.12Å; F22-M142 HydrophobicContact CE2-SD 3.71Å; F22-M142 HydrophobicContact CZ-CB 3.41Å; F22-M142 VanDerWaalsContact CZ-CB 3.41Å; F22-M142 HydrophobicContact CZ-CE 4.04Å; F22-M142 HydrophobicContact CZ-CG 4.45Å; F22-M142 HydrophobicContact CZ-SD 4.4Å; F22-K143 HydrophobicContact CE1-CG 4.34Å
23	T	50	Low	47.7	Very low	69 Å²	69	67.6 Å²	67.6	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-40.1	177.1	-60.3	0	0	0	0	111.6	S19 N20 Q26 T27	S19-T23 WeakPolarHBondContact O-CB 3.18Å; S19-T23 PolarHBondContact O-N 3.36Å; S19-T23 PolarHBondContact O-OG1 3.43Å; N20-T23 PolarHBondContact O-N 2.94Å; T23-Q26 PolarHBondContact O-N 3.26Å; T23-T27 WeakPolarHBondContact O-CB 2.85Å; T23-T27 PolarHBondContact O-N 2.77Å; T23-T27 PolarHBondContact O-OG1 2.93Å
24	S	49.7	Very low	47.9	Very low	71 Å²	71	63.8 Å²	63.8	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-44.4	175.8	-60.4	0	0	0	0	111.3	N20 A21 F22 T27 Y28	N20-S24 VanDerWaalsContact O-CB 3.26Å; N20-S24 WeakPolarHBondContact O-CB 3.33Å; N20-S24 PolarHBondContact O-N 2.92Å; N20-S24 PolarHBondContact O-OG 3.45Å; A21-S24 PolarHBondContact O-N 3.37Å; F22-S24 VanDerWaalsContact C-N 3.28Å; F22-S24 PolarHBondContact O-N 3.42Å; S24-T27 PolarHBondContact O-N 3.3Å; S24-Y28 VanDerWaalsContact O-CB 3.26Å; S24-Y28 WeakPolarHBondContact O-CB 3.37Å; S24-Y28 PolarHBondContact O-N 3.41Å
25	G	47.6	Very low	48.5	Very low	8 Å²	8	68.1 Å²	68.1	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-47.4	174.5	0	0	0	0	0	112.3	A21 F22 T27 Y28 L29	A21-G25 PolarHBondContact O-N 2.92Å; F22-G25 PolarHBondContact O-N 3.34Å; F22-G25 VanDerWaalsContact O-N 3.13Å; G25-T27 PolarHBondContact O-N 3.48Å; G25-Y28 PolarHBondContact O-N 3.29Å; G25-L29 WeakPolarHBondContact O-CB 3.35Å; G25-L29 VanDerWaalsContact O-CG 3.24Å; G25-L29 WeakPolarHBondContact O-CG 3.39Å; G25-L29 PolarHBondContact O-N 3.4Å
26	Q	47	Very low	48.9	Very low	48 Å²	48	65.6 Å²	65.6	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-45.6	176.6	-68.1	-170.1	-32.2	0	0	112.5	F22 T23 Y28 L29 K30 L139	F22-Q26 HydrophobicContact CD1-CG 4.38Å; F22-Q26 VanDerWaalsContact CE1-CD 3.41Å; F22-Q26 HydrophobicContact CE1-CG 4.11Å; F22-Q26 HydrophobicContact CE2-CG 4.47Å; F22-Q26 HydrophobicContact CZ-CG 4.15Å; F22-Q26 WeakPolarHBondContact O-CG 3.17Å; F22-Q26 PolarHBondContact O-N 3.01Å; T23-Q26 PolarHBondContact O-N 3.26Å; Q26-Y28 VanDerWaalsContact C-N 3.33Å; Q26-Y28 PolarHBondContact O-N 3.03Å; Q26-L29 PolarHBondContact O-N 2.82Å; Q26-K30 WeakPolarHBondContact O-CB 3.2Å; Q26-K30 PolarHBondContact O-N 2.77Å; Q26-L139 HydrophobicContact CB-CD2 4.39Å; Q26-L139 HydrophobicContact CG-CD2 3.58Å; Q26-L139 VanDerWaalsContact NE2-CD2 3.27Å
27	T	53.7	Low	49	Very low	70 Å²	70	62.2 Å²	62.2	43%	0.429	33%	0.33	S	S	.	.	H	α-helix	trans	-62	-44.4	178.8	-60.3	0	0	0	0	110.6	T23 S24 G25 K30 Q31	T23-T27 WeakPolarHBondContact O-CB 2.85Å; T23-T27 PolarHBondContact O-N 2.77Å; T23-T27 PolarHBondContact O-OG1 2.93Å; S24-T27 PolarHBondContact O-N 3.3Å; G25-T27 PolarHBondContact O-N 3.48Å; T27-K30 PolarHBondContact O-N 3.12Å; T27-Q31 WeakPolarHBondContact O-CG 3.32Å; T27-Q31 PolarHBondContact O-N 2.75Å
28	Y	48.7	Very low	49.5	Very low	63 Å²	63	61 Å²	61	25%	0.247	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-44.7	178.1	-175.8	-98.2	0	0	0	112	S24 G25 Q26 K30 Q31 M32 T65 I66 T69	S24-Y28 VanDerWaalsContact O-CB 3.26Å; S24-Y28 WeakPolarHBondContact O-CB 3.37Å; S24-Y28 PolarHBondContact O-N 3.41Å; G25-Y28 PolarHBondContact O-N 3.29Å; Q26-Y28 VanDerWaalsContact C-N 3.33Å; Q26-Y28 PolarHBondContact O-N 3.03Å; Y28-K30 VanDerWaalsContact C-N 3.32Å; Y28-K30 PolarHBondContact O-N 3.34Å; Y28-Q31 WeakPolarHBondContact O-CB 3.24Å; Y28-Q31 PolarHBondContact O-N 2.95Å; Y28-M32 WeakPolarHBondContact O-CB 3.37Å; Y28-M32 PolarHBondContact O-N 2.86Å; Y28-T65 WeakPolarHBondContact OH-CG2 3.33Å; Y28-I66 HydrophobicContact CE1-CG1 4.17Å; Y28-T69 HydrophobicContact CD1-CG2 4.19Å; Y28-T69 HydrophobicContact CE1-CG2 4.1Å; Y28-T69 HydrophobicContact CG-CG2 4.49Å
29	L	48.3	Very low	49.9	Very low	23 Å²	23	59.2 Å²	59.2	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-44.3	174.1	-72.7	173.6	0	0	0	111.4	G25 Q26 Q31 M32 F33 L88 M92	G25-L29 WeakPolarHBondContact O-CB 3.35Å; G25-L29 VanDerWaalsContact O-CG 3.24Å; G25-L29 WeakPolarHBondContact O-CG 3.39Å; G25-L29 PolarHBondContact O-N 3.4Å; Q26-L29 PolarHBondContact O-N 2.82Å; L29-Q31 PolarHBondContact O-N 3.48Å; L29-M32 HydrophobicContact CD2-CE 3.77Å; L29-M32 WeakPolarHBondContact O-CB 3.2Å; L29-M32 PolarHBondContact O-N 2.83Å; L29-F33 WeakPolarHBondContact O-CD2 3.46Å; L29-F33 PolarHBondContact O-N 2.85Å; L29-L88 HydrophobicContact CD1-CD2 3.96Å; L29-M92 HydrophobicContact CD2-CE 3.69Å; L29-M92 HydrophobicContact CD2-CG 4.23Å; L29-M92 HydrophobicContact CD2-SD 4.14Å
30	K	50.3	Low	50.2	Low	158 Å²	158	58.3 Å²	58.3	69%	0.687	31%	0.306	S	S	*	.	H	α-helix	trans	-61.9	-42.9	176.5	-173.4	178.6	179.5	-177.8	0	112.2	Q26 T27 Y28 M32 F33 T34	Q26-K30 WeakPolarHBondContact O-CB 3.2Å; Q26-K30 PolarHBondContact O-N 2.77Å; T27-K30 PolarHBondContact O-N 3.12Å; Y28-K30 VanDerWaalsContact C-N 3.32Å; Y28-K30 PolarHBondContact O-N 3.34Å; K30-M32 VanDerWaalsContact C-N 3.3Å; K30-M32 PolarHBondContact O-N 2.86Å; K30-F33 PolarHBondContact O-N 3.15Å; K30-T34 WeakPolarHBondContact O-CB 3.34Å; K30-T34 PolarHBondContact O-N 3.48Å; K30-T34 PolarHBondContact O-OG1 3.2Å
31	Q	53.5	Low	50.3	Low	109 Å²	109	60.8 Å²	60.8	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-40.1	175.5	-74.2	176.5	-6	0	0	111.5	T27 Y28 L29 T34 K35	T27-Q31 WeakPolarHBondContact O-CG 3.32Å; T27-Q31 PolarHBondContact O-N 2.75Å; Y28-Q31 WeakPolarHBondContact O-CB 3.24Å; Y28-Q31 PolarHBondContact O-N 2.95Å; L29-Q31 PolarHBondContact O-N 3.48Å; Q31-T34 WeakPolarHBondContact O-CB 3.43Å; Q31-T34 PolarHBondContact O-N 2.83Å; Q31-K35 WeakPolarHBondContact O-CG 3.3Å; Q31-K35 PolarHBondContact O-N 3.35Å
32	M	48.8	Very low	50.5	Low	9 Å²	9	61.7 Å²	61.7	4%	0.044	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-51.5	176.9	-172.4	-123.9	-64.4	0	0	111.7	Y28 L29 K30 T34 K35 S36 T62 I66 M92 W96	Y28-M32 WeakPolarHBondContact O-CB 3.37Å; Y28-M32 PolarHBondContact O-N 2.86Å; L29-M32 HydrophobicContact CD2-CE 3.77Å; L29-M32 WeakPolarHBondContact O-CB 3.2Å; L29-M32 PolarHBondContact O-N 2.83Å; K30-M32 VanDerWaalsContact C-N 3.3Å; K30-M32 PolarHBondContact O-N 2.86Å; M32-T34 PolarHBondContact O-N 2.79Å; M32-K35 WeakPolarHBondContact O-CA 3.46Å; M32-K35 WeakPolarHBondContact O-CB 3.45Å; M32-K35 PolarHBondContact O-N 2.88Å; M32-S36 PolarHBondContact O-N 3.37Å; M32-S36 PolarHBondContact O-OG 2.81Å; M32-T62 HydrophobicContact CG-CG2 4.37Å; M32-I66 HydrophobicContact CE-CB 4.39Å; M32-I66 HydrophobicContact CE-CD1 3.41Å; M32-I66 VanDerWaalsContact CE-CD1 3.41Å; M32-I66 HydrophobicContact CE-CG1 3.69Å; M32-I66 HydrophobicContact CE-CG2 3.77Å; M32-I66 HydrophobicContact CG-CD1 3.44Å; M32-I66 VanDerWaalsContact CG-CD1 3.44Å; M32-I66 HydrophobicContact CG-CG1 3.96Å; M32-I66 HydrophobicContact SD-CD1 3.4Å; M32-I66 WeakPolarHBondContact SD-CD1 3.48Å; M32-I66 HydrophobicContact SD-CG1 4.23Å; M32-M92 HydrophobicContact CE-CE 3.34Å; M32-M92 HydrophobicContact SD-CE 4.09Å; M32-W96 HydrophobicContact SD-CE3 4.25Å; M32-W96 HydrophobicContact SD-CZ3 4.21Å
33	F	50.1	Low	50.7	Low	31 Å²	31	59.8 Å²	59.8	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-38.2	175.5	-77.4	-60.1	0	0	0	112.1	L29 K30 S36 T37 M92 F127 L135	L29-F33 WeakPolarHBondContact O-CD2 3.46Å; L29-F33 PolarHBondContact O-N 2.85Å; K30-F33 PolarHBondContact O-N 3.15Å; F33-S36 PolarHBondContact O-N 3.32Å; F33-T37 VanDerWaalsContact O-CB 3.32Å; F33-T37 WeakPolarHBondContact O-CB 3.38Å; F33-T37 WeakPolarHBondContact O-CG2 3.25Å; F33-T37 PolarHBondContact O-N 3.32Å; F33-T37 PolarHBondContact O-OG1 3.44Å; F33-M92 HydrophobicContact CE1-CE 4.15Å; F33-M92 HydrophobicContact CE2-CE 3.69Å; F33-M92 HydrophobicContact CE2-SD 3.87Å; F33-M92 HydrophobicContact CZ-CE 3.35Å; F33-M92 HydrophobicContact CZ-SD 3.53Å; F33-M92 VanDerWaalsContact CZ-SD 3.53Å; F33-F127 HydrophobicContact CD1-CE1 4.18Å; F33-F127 HydrophobicContact CD1-CE2 4.36Å; F33-F127 AromaticContact CD1-CZ 3.45Å; F33-F127 HydrophobicContact CD1-CZ 3.45Å; F33-F127 VanDerWaalsContact CD1-CZ 3.45Å; F33-F127 HydrophobicContact CE1-CE1 4.46Å; F33-F127 AromaticContact CE1-CE2 3.9Å; F33-F127 HydrophobicContact CE1-CE2 3.9Å; F33-F127 AromaticContact CE1-CZ 3.36Å; F33-F127 HydrophobicContact CE1-CZ 3.36Å; F33-F127 HydrophobicContact CZ-CZ 4.39Å; F33-L135 HydrophobicContact CD2-CD2 3.82Å; F33-L135 HydrophobicContact CE2-CD1 3.48Å; F33-L135 VanDerWaalsContact CE2-CD1 3.48Å; F33-L135 HydrophobicContact CE2-CD2 3.33Å; F33-L135 HydrophobicContact CE2-CG 4.03Å; F33-L135 HydrophobicContact CZ-CD1 3.61Å; F33-L135 HydrophobicContact CZ-CD2 4.1Å; F33-L135 HydrophobicContact CZ-CG 4.44Å
34	T	53.1	Low	50.6	Low	67 Å²	67	60.2 Å²	60.2	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-43.6	174.8	-54.4	0	0	0	0	111.4	K30 Q31 M32 T37 N38	K30-T34 WeakPolarHBondContact O-CB 3.34Å; K30-T34 PolarHBondContact O-N 3.48Å; K30-T34 PolarHBondContact O-OG1 3.2Å; Q31-T34 WeakPolarHBondContact O-CB 3.43Å; Q31-T34 PolarHBondContact O-N 2.83Å; M32-T34 PolarHBondContact O-N 2.79Å; T34-T37 WeakPolarHBondContact CA-OG1 3.32Å; T34-T37 PolarHBondContact O-OG1 2.94Å; T34-N38 VanDerWaalsContact O-CB 3.3Å; T34-N38 WeakPolarHBondContact O-CB 3.17Å; T34-N38 PolarHBondContact O-N 3.41Å; T34-N38 PolarHBondContact O-ND2 3.49Å
35	K	55.5	Low	50.5	Low	140 Å²	140	60.7 Å²	60.7	61%	0.609	30%	0.296	S	S	*	.	H	α-helix	trans	-64.7	-46.8	176.3	-75.4	-172.8	175.5	-170.4	0	112.2	Q31 M32 N38 Y39	Q31-K35 WeakPolarHBondContact O-CG 3.3Å; Q31-K35 PolarHBondContact O-N 3.35Å; M32-K35 WeakPolarHBondContact O-CA 3.46Å; M32-K35 WeakPolarHBondContact O-CB 3.45Å; M32-K35 PolarHBondContact O-N 2.88Å; K35-N38 PolarHBondContact O-N 3.31Å; K35-Y39 PolarHBondContact O-N 2.84Å
36	S	49.4	Very low	50.6	Low	11 Å²	11	62 Å²	62	8%	0.077	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-42.7	179.4	-55.6	0	0	0	0	112.2	M32 F33 Y39 L40 W96	M32-S36 PolarHBondContact O-N 3.37Å; M32-S36 PolarHBondContact O-OG 2.81Å; F33-S36 PolarHBondContact O-N 3.32Å; S36-Y39 PolarHBondContact O-N 2.86Å; S36-L40 WeakPolarHBondContact O-CG 3.31Å; S36-L40 PolarHBondContact O-N 2.83Å; S36-W96 VanDerWaalsContact OG-CZ3 3.22Å; S36-W96 WeakPolarHBondContact OG-CZ3 3.3Å
37	T	50.9	Low	50.4	Low	51 Å²	51	61.6 Å²	61.6	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-37.5	176.2	51.8	0	0	0	0	111.8	F33 T34 R41	F33-T37 VanDerWaalsContact O-CB 3.32Å; F33-T37 WeakPolarHBondContact O-CB 3.38Å; F33-T37 WeakPolarHBondContact O-CG2 3.25Å; F33-T37 PolarHBondContact O-N 3.32Å; F33-T37 PolarHBondContact O-OG1 3.44Å; T34-T37 WeakPolarHBondContact CA-OG1 3.32Å; T34-T37 PolarHBondContact O-OG1 2.94Å; T37-R41 WeakPolarHBondContact O-CB 3.49Å; T37-R41 PolarHBondContact O-N 3.35Å
38	N	56.1	Low	49.9	Very low	84 Å²	84	61.4 Å²	61.4	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-38.4	172.8	-73	-12.4	0	0	0	112	T34 K35 R41 S42	T34-N38 VanDerWaalsContact O-CB 3.3Å; T34-N38 WeakPolarHBondContact O-CB 3.17Å; T34-N38 PolarHBondContact O-N 3.41Å; T34-N38 PolarHBondContact O-ND2 3.49Å; K35-N38 PolarHBondContact O-N 3.31Å; N38-R41 WeakPolarHBondContact O-CB 3.1Å; N38-R41 PolarHBondContact O-N 3.34Å; N38-R41 PolarHBondContact OD1-NH1 2.89Å; N38-S42 PolarHBondContact O-N 2.97Å
39	Y	51.2	Low	49.4	Very low	31 Å²	31	60.7 Å²	60.7	12%	0.122	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-50	174	179.5	-95.2	0	0	0	111.3	K35 S36 R41 S42 V43 L59	K35-Y39 PolarHBondContact O-N 2.84Å; S36-Y39 PolarHBondContact O-N 2.86Å; Y39-R41 PolarHBondContact O-N 2.85Å; Y39-S42 WeakPolarHBondContact CA-OG 3.35Å; Y39-S42 CarbonylContact O-C 3.55Å; Y39-S42 WeakPolarHBondContact O-CA 3.22Å; Y39-S42 PolarHBondContact O-N 3.36Å; Y39-S42 PolarHBondContact O-OG 3.11Å; Y39-V43 HydrophobicContact CD1-CG2 3.75Å; Y39-V43 HydrophobicContact CE1-CG2 3.34Å; Y39-V43 HydrophobicContact CE2-CG2 4.39Å; Y39-V43 HydrophobicContact CG-CG2 4.41Å; Y39-V43 VanDerWaalsContact O-CG2 3.24Å; Y39-V43 WeakPolarHBondContact O-CG2 3.15Å; Y39-V43 PolarHBondContact O-N 2.83Å; Y39-L59 HydrophobicContact CD1-CD1 3.92Å; Y39-L59 HydrophobicContact CD1-CD2 4.03Å; Y39-L59 HydrophobicContact CD1-CG 4.03Å; Y39-L59 HydrophobicContact CE1-CD1 3.32Å; Y39-L59 HydrophobicContact CE1-CD2 4.29Å; Y39-L59 HydrophobicContact CE1-CG 3.83Å
40	L	49.8	Very low	48.9	Very low	15 Å²	15	70.4 Å²	70.4	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-36.7	175.9	-71	169.7	0	0	0	111.9	S36 V43 Y44 V103 F123	S36-L40 WeakPolarHBondContact O-CG 3.31Å; S36-L40 PolarHBondContact O-N 2.83Å; L40-V43 PolarHBondContact O-N 3.01Å; L40-Y44 WeakPolarHBondContact O-CB 3.46Å; L40-Y44 PolarHBondContact O-N 3.35Å; L40-V103 HydrophobicContact CD2-CG2 3.8Å; L40-F123 HydrophobicContact CD1-CD1 4.2Å; L40-F123 HydrophobicContact CD1-CE1 3.69Å
41	R	50.9	Low	48.1	Very low	137 Å²	137	70 Å²	70	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-47.9	170.7	-175.6	178.1	-64.4	112.8	3.3	111.3	T37 N38 Y39 V43 Y44 D45	T37-R41 WeakPolarHBondContact O-CB 3.49Å; T37-R41 PolarHBondContact O-N 3.35Å; N38-R41 WeakPolarHBondContact O-CB 3.1Å; N38-R41 PolarHBondContact O-N 3.34Å; N38-R41 PolarHBondContact OD1-NH1 2.89Å; Y39-R41 PolarHBondContact O-N 2.85Å; R41-V43 VanDerWaalsContact C-N 3.28Å; R41-V43 PolarHBondContact O-N 2.91Å; R41-Y44 WeakPolarHBondContact O-CB 3.39Å; R41-Y44 PolarHBondContact O-N 3.31Å; R41-D45 WeakPolarHBondContact CG-OD2 3.15Å; R41-D45 WeakPolarHBondContact O-CB 3.34Å; R41-D45 PolarHBondContact O-N 3.49Å
42	S	50.8	Low	47.5	Very low	57 Å²	57	72.7 Å²	72.7	40%	0.399	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-34.9	175.7	65.1	0	0	0	0	113.3	N38 Y39 S46	N38-S42 PolarHBondContact O-N 2.97Å; Y39-S42 WeakPolarHBondContact CA-OG 3.35Å; Y39-S42 CarbonylContact O-C 3.55Å; Y39-S42 WeakPolarHBondContact O-CA 3.22Å; Y39-S42 PolarHBondContact O-N 3.36Å; Y39-S42 PolarHBondContact O-OG 3.11Å; S42-S46 WeakPolarHBondContact O-CB 3.34Å; S42-S46 PolarHBondContact O-N 2.97Å
43	V	50.2	Low	47.2	Very low	4 Å²	4	80.5 Å²	80.5	2%	0.024	40%	0.402	C	S	.	.	H	α-helix	trans	-65	-49.3	174	175.8	0	0	0	0	110.2	Y39 L40 R41 D45 S46 I47 L54 L120	Y39-V43 HydrophobicContact CD1-CG2 3.75Å; Y39-V43 HydrophobicContact CE1-CG2 3.34Å; Y39-V43 HydrophobicContact CE2-CG2 4.39Å; Y39-V43 HydrophobicContact CG-CG2 4.41Å; Y39-V43 VanDerWaalsContact O-CG2 3.24Å; Y39-V43 WeakPolarHBondContact O-CG2 3.15Å; Y39-V43 PolarHBondContact O-N 2.83Å; L40-V43 PolarHBondContact O-N 3.01Å; R41-V43 VanDerWaalsContact C-N 3.28Å; R41-V43 PolarHBondContact O-N 2.91Å; V43-D45 PolarHBondContact O-N 2.97Å; V43-S46 PolarHBondContact O-N 2.77Å; V43-I47 HydrophobicContact CG1-CD1 3.6Å; V43-I47 HydrophobicContact CG1-CG1 4.47Å; V43-I47 WeakPolarHBondContact O-CB 3.15Å; V43-I47 WeakPolarHBondContact O-CD1 3.38Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 2.77Å; V43-L54 HydrophobicContact CB-CD2 3.76Å; V43-L54 HydrophobicContact CG1-CD2 3.75Å; V43-L54 HydrophobicContact CG2-CD2 3.22Å; V43-L120 HydrophobicContact CG1-CD1 4.36Å
44	Y	46	Very low	47	Very low	78 Å²	78	82.8 Å²	82.8	31%	0.306	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-46.7	176.5	-179.6	-90.4	0	0	0	111.6	L40 R41 I47 T48 I117 L120 E121	L40-Y44 WeakPolarHBondContact O-CB 3.46Å; L40-Y44 PolarHBondContact O-N 3.35Å; R41-Y44 WeakPolarHBondContact O-CB 3.39Å; R41-Y44 PolarHBondContact O-N 3.31Å; Y44-I47 PolarHBondContact O-N 2.93Å; Y44-T48 HydrophobicContact CD1-CG2 4.3Å; Y44-T48 HydrophobicContact CD2-CG2 4.4Å; Y44-T48 HydrophobicContact CE1-CG2 3.94Å; Y44-T48 HydrophobicContact CE2-CG2 4.06Å; Y44-T48 WeakPolarHBondContact O-CB 3.45Å; Y44-T48 WeakPolarHBondContact O-CG2 3.23Å; Y44-T48 PolarHBondContact O-N 2.96Å; Y44-T48 PolarHBondContact O-OG1 2.87Å; Y44-I117 HydrophobicContact CE2-CG2 4.23Å; Y44-L120 HydrophobicContact CD2-CB 4.37Å; Y44-E121 HydrophobicContact CE2-CG 4.44Å
45	D	49.2	Very low	46.7	Very low	81 Å²	81	85.4 Å²	85.4	43%	0.433	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-40.8	178.9	-64.9	-17.1	0	0	0	111	R41 V43 T48 G49	R41-D45 WeakPolarHBondContact CG-OD2 3.15Å; R41-D45 WeakPolarHBondContact O-CB 3.34Å; R41-D45 PolarHBondContact O-N 3.49Å; V43-D45 PolarHBondContact O-N 2.97Å; D45-T48 PolarHBondContact O-N 2.9Å; D45-G49 PolarHBondContact O-N 3.29Å
46	S	48.1	Very low	46	Very low	36 Å²	36	80.4 Å²	80.4	25%	0.252	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-41.6	176.3	-173.6	0	0	0	0	111.9	S42 V43 E52	S42-S46 WeakPolarHBondContact O-CB 3.34Å; S42-S46 PolarHBondContact O-N 2.97Å; V43-S46 PolarHBondContact O-N 2.77Å; S46-E52 PolarHBondContact OG-O 3.35Å
47	I	43.9	Very low	45.6	Very low	39 Å²	39	86 Å²	86	20%	0.2	44%	0.437	C	S	.	.	H	α-helix	trans	-69.8	-38.4	176	-67.1	162.5	0	0	0	111.5	V43 Y44 T116 I117 L120	V43-I47 HydrophobicContact CG1-CD1 3.6Å; V43-I47 HydrophobicContact CG1-CG1 4.47Å; V43-I47 WeakPolarHBondContact O-CB 3.15Å; V43-I47 WeakPolarHBondContact O-CD1 3.38Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 2.77Å; Y44-I47 PolarHBondContact O-N 2.93Å; I47-T116 HydrophobicContact CD1-CG2 3.72Å; I47-I117 HydrophobicContact CG2-CG1 4.04Å; I47-L120 HydrophobicContact CD1-CD1 3.58Å
48	T	42.8	Very low	45.4	Very low	66 Å²	66	85.8 Å²	85.8	41%	0.405	44%	0.438	S	S	.	.	H	α-helix	trans	-89.8	-10.9	-173.3	55.8	0	0	0	0	114.7	Y44 D45 I117	Y44-T48 HydrophobicContact CD1-CG2 4.3Å; Y44-T48 HydrophobicContact CD2-CG2 4.4Å; Y44-T48 HydrophobicContact CE1-CG2 3.94Å; Y44-T48 HydrophobicContact CE2-CG2 4.06Å; Y44-T48 WeakPolarHBondContact O-CB 3.45Å; Y44-T48 WeakPolarHBondContact O-CG2 3.23Å; Y44-T48 PolarHBondContact O-N 2.96Å; Y44-T48 PolarHBondContact O-OG1 2.87Å; D45-T48 PolarHBondContact O-N 2.9Å; T48-I117 HydrophobicContact CG2-CD1 3.9Å; T48-I117 HydrophobicContact CG2-CG1 4.06Å
49	G	37.9	Very low	44.8	Very low	47 Å²	47	82.1 Å²	82.1	49%	0.485	42%	0.418	S	S	.	.	H	α-helix	trans	161.1	78.8	165.2	0	0	0	0	0	118.1	D45	D45-G49 PolarHBondContact O-N 3.29Å
50	R	38.7	Very low	44.6	Very low	228 Å²	228	83.2 Å²	83.2	86%	0.86	43%	0.426	S	S	*	.	S	Bend	trans	115.4	118.5	153.7	-59.6	154.6	-165.9	-164	4.3	114
51	N	33.4	Very low	44.6	Very low	148 Å²	148	85.8 Å²	85.8	79%	0.791	45%	0.445	S	S	*	.			trans	51.7	107.6	152.9	-91.5	-2.4	0	0	0	118.8
52	E	41.3	Very low	44.5	Very low	166 Å²	166	81.1 Å²	81.1	78%	0.776	43%	0.432	S	S	*	.				173.5	146.6	112.4	-92.8	172	-168.8	0	0	109.9	S46 L54	S46-E52 PolarHBondContact OG-O 3.35Å; E52-L54 PolarHBondContact O-N 3.39Å
53	E	42.4	Very low	44.4	Very low	173 Å²	173	79.9 Å²	79.9	81%	0.808	42%	0.421	S	S	*	.			trans	-49.6	123.1	-173.3	-75.7	174	139.4	0	0	113.4	Q55	E53-Q55 PolarHBondContact O-N 3.26Å
54	L	45.9	Very low	44.4	Very low	80 Å²	80	84.6 Å²	84.6	42%	0.419	45%	0.446	S	S	.	.			trans	-65.2	91.5	170.8	-71.2	168.7	0	0	0	110.4	V43 E52 A56	V43-L54 HydrophobicContact CB-CD2 3.76Å; V43-L54 HydrophobicContact CG1-CD2 3.75Å; V43-L54 HydrophobicContact CG2-CD2 3.22Å; E52-L54 PolarHBondContact O-N 3.39Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 2.89Å
55	Q	46.3	Very low	44.8	Very low	121 Å²	121	83.9 Å²	83.9	57%	0.565	45%	0.45	S	S	*	.			trans	-75.7	82.3	175.5	-67.1	-172.4	17.2	0	0	111	E53 D57 S58	E53-Q55 PolarHBondContact O-N 3.26Å; Q55-D57 PolarHBondContact O-N 2.63Å; Q55-S58 WeakPolarHBondContact O-CB 3.44Å; Q55-S58 PolarHBondContact O-N 2.86Å; Q55-S58 VanDerWaalsContact O-N 3.08Å; Q55-S58 PolarHBondContact O-OG 3.29Å
56	A	40.9	Very low	44.7	Very low	35 Å²	35	81 Å²	81	29%	0.289	43%	0.434	S	S	.	.	H	α-helix	trans	-55.5	-26.4	171.4	0	0	0	0	0	112.7	L54 S58 L59 N60	L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 2.89Å; A56-S58 PolarHBondContact O-N 2.9Å; A56-L59 WeakPolarHBondContact O-CB 3.29Å; A56-L59 PolarHBondContact O-N 2.96Å; A56-N60 PolarHBondContact O-N 3.43Å
57	D	41.1	Very low	44.8	Very low	130 Å²	130	83.4 Å²	83.4	70%	0.695	44%	0.443	S	S	*	.	H	α-helix	trans	-62.8	-30.3	176.4	-64.8	-22.7	0	0	0	112.5	Q55 L59 N60 S61	Q55-D57 PolarHBondContact O-N 2.63Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.34Å; D57-N60 PolarHBondContact O-N 2.9Å; D57-S61 WeakPolarHBondContact O-CB 3.46Å; D57-S61 PolarHBondContact O-N 2.96Å
58	S	46.4	Very low	45.3	Very low	45 Å²	45	84.8 Å²	84.8	32%	0.315	46%	0.456	S	S	.	.	H	α-helix	trans	-68.8	-33.3	177.1	77.6	0	0	0	0	112.6	Q55 A56 T62	Q55-S58 WeakPolarHBondContact O-CB 3.44Å; Q55-S58 PolarHBondContact O-N 2.86Å; Q55-S58 VanDerWaalsContact O-N 3.08Å; Q55-S58 PolarHBondContact O-OG 3.29Å; A56-S58 PolarHBondContact O-N 2.9Å; S58-T62 VanDerWaalsContact O-CB 3.32Å; S58-T62 WeakPolarHBondContact O-CB 3.44Å; S58-T62 PolarHBondContact O-N 2.85Å; S58-T62 PolarHBondContact O-OG1 3.1Å
59	L	43.5	Very low	45.7	Very low	7 Å²	7	82.6 Å²	82.6	4%	0.037	44%	0.443	C	S	.	.	H	α-helix	trans	-67.5	-48.4	176.3	-82.2	166	0	0	0	110.2	Y39 A56 D57 S61 T62 L63 W96 V103	Y39-L59 HydrophobicContact CD1-CD1 3.92Å; Y39-L59 HydrophobicContact CD1-CD2 4.03Å; Y39-L59 HydrophobicContact CD1-CG 4.03Å; Y39-L59 HydrophobicContact CE1-CD1 3.32Å; Y39-L59 HydrophobicContact CE1-CD2 4.29Å; Y39-L59 HydrophobicContact CE1-CG 3.83Å; A56-L59 WeakPolarHBondContact O-CB 3.29Å; A56-L59 PolarHBondContact O-N 2.96Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.34Å; L59-S61 PolarHBondContact O-N 3.07Å; L59-T62 WeakPolarHBondContact O-CB 3.48Å; L59-T62 PolarHBondContact O-N 2.92Å; L59-L63 PolarHBondContact O-N 3.35Å; L59-W96 HydrophobicContact CB-CZ2 4.07Å; L59-W96 HydrophobicContact CD2-CH2 3.51Å; L59-W96 HydrophobicContact CD2-CZ2 3.61Å; L59-W96 HydrophobicContact CG-CZ2 4.48Å; L59-W96 WeakPolarHBondContact O-CZ2 3.49Å; L59-V103 HydrophobicContact CD1-CG1 4.08Å
60	N	46.8	Very low	46.2	Very low	54 Å²	54	81.4 Å²	81.4	29%	0.289	43%	0.431	S	S	.	.	H	α-helix	trans	-62.3	-45.2	179.1	-74.8	-17.5	0	0	0	111.9	A56 D57 T62 L63 D64 Y100	A56-N60 PolarHBondContact O-N 3.43Å; D57-N60 PolarHBondContact O-N 2.9Å; N60-T62 VanDerWaalsContact C-N 3.27Å; N60-T62 PolarHBondContact O-N 2.89Å; N60-L63 WeakPolarHBondContact O-CB 3.17Å; N60-L63 PolarHBondContact O-N 3.48Å; N60-L63 VanDerWaalsContact O-N 3.09Å; N60-D64 PolarHBondContact O-N 3.2Å; N60-Y100 WeakPolarHBondContact OD1-CE2 3.46Å
61	S	49.4	Very low	46.9	Very low	69 Å²	69	76.7 Å²	76.7	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-37.9	175.8	-179.9	0	0	0	0	112.5	D57 L59 T65	D57-S61 WeakPolarHBondContact O-CB 3.46Å; D57-S61 PolarHBondContact O-N 2.96Å; L59-S61 PolarHBondContact O-N 3.07Å; S61-T65 WeakPolarHBondContact O-CB 3.32Å; S61-T65 PolarHBondContact O-N 3.33Å; S61-T65 VanDerWaalsContact O-N 3.09Å; S61-T65 PolarHBondContact O-OG1 3.42Å
62	T	49.3	Very low	48	Very low	39 Å²	39	77.9 Å²	77.9	24%	0.239	41%	0.41	C	S	.	.	H	α-helix	trans	-64	-43.8	174.7	-61	0	0	0	0	110.5	M32 S58 L59 N60 T65 I66 W96	M32-T62 HydrophobicContact CG-CG2 4.37Å; S58-T62 VanDerWaalsContact O-CB 3.32Å; S58-T62 WeakPolarHBondContact O-CB 3.44Å; S58-T62 PolarHBondContact O-N 2.85Å; S58-T62 PolarHBondContact O-OG1 3.1Å; L59-T62 WeakPolarHBondContact O-CB 3.48Å; L59-T62 PolarHBondContact O-N 2.92Å; N60-T62 VanDerWaalsContact C-N 3.27Å; N60-T62 PolarHBondContact O-N 2.89Å; T62-T65 PolarHBondContact O-N 3.23Å; T62-I66 HydrophobicContact CG2-CD1 3.94Å; T62-I66 VanDerWaalsContact O-CD1 3.23Å; T62-I66 WeakPolarHBondContact O-CD1 3.47Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 2.88Å; T62-W96 HydrophobicContact CG2-CH2 4.08Å; T62-W96 HydrophobicContact CG2-CZ3 4.48Å
63	L	49.2	Very low	48.5	Very low	32 Å²	32	71.4 Å²	71.4	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-59.1	-49.6	175.1	-173.8	58.1	0	0	0	113.1	L59 N60 T65 I66 I67 W96	L59-L63 PolarHBondContact O-N 3.35Å; N60-L63 WeakPolarHBondContact O-CB 3.17Å; N60-L63 PolarHBondContact O-N 3.48Å; N60-L63 VanDerWaalsContact O-N 3.09Å; L63-T65 VanDerWaalsContact C-N 3.26Å; L63-T65 PolarHBondContact O-N 3.35Å; L63-I66 WeakPolarHBondContact O-CA 3.25Å; L63-I66 WeakPolarHBondContact O-CB 3.2Å; L63-I66 PolarHBondContact O-N 2.93Å; L63-I67 HydrophobicContact CD1-CD1 4.22Å; L63-I67 HydrophobicContact CD1-CG1 4.31Å; L63-I67 HydrophobicContact CD2-CD1 4.4Å; L63-I67 HydrophobicContact CG-CD1 3.93Å; L63-I67 HydrophobicContact CG-CG1 4.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.38Å; L63-I67 PolarHBondContact O-N 3.31Å; L63-W96 HydrophobicContact CB-CZ2 4.17Å; L63-W96 HydrophobicContact CD1-CB 4.1Å; L63-W96 HydrophobicContact CD1-CD2 3.95Å; L63-W96 HydrophobicContact CD1-CG 3.45Å; L63-W96 VanDerWaalsContact CD1-CG 3.45Å; L63-W96 HydrophobicContact CD2-CG 4.44Å; L63-W96 HydrophobicContact CG-CG 4.35Å
64	D	51.1	Low	48.6	Very low	103 Å²	103	66.6 Å²	66.6	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-62.6	-37.3	-178.5	-70.3	-25.8	0	0	0	111.7	N60 I66 I67 S68	N60-D64 PolarHBondContact O-N 3.2Å; D64-I66 VanDerWaalsContact C-N 3.31Å; D64-I66 PolarHBondContact O-N 3.18Å; D64-I67 PolarHBondContact O-N 3.08Å; D64-S68 WeakPolarHBondContact O-CB 3.34Å; D64-S68 PolarHBondContact O-N 3.2Å; D64-S68 PolarHBondContact O-OG 2.97Å
65	T	52.5	Low	49.1	Very low	62 Å²	62	68.8 Å²	68.8	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-36.2	174.5	-52.3	0	0	0	0	111.6	Y28 S61 T62 L63 S68 T69	Y28-T65 WeakPolarHBondContact OH-CG2 3.33Å; S61-T65 WeakPolarHBondContact O-CB 3.32Å; S61-T65 PolarHBondContact O-N 3.33Å; S61-T65 VanDerWaalsContact O-N 3.09Å; S61-T65 PolarHBondContact O-OG1 3.42Å; T62-T65 PolarHBondContact O-N 3.23Å; L63-T65 VanDerWaalsContact C-N 3.26Å; L63-T65 PolarHBondContact O-N 3.35Å; T65-S68 WeakPolarHBondContact CA-OG 3.23Å; T65-S68 PolarHBondContact O-OG 3.49Å; T65-T69 VanDerWaalsContact O-CB 3.26Å; T65-T69 WeakPolarHBondContact O-CB 3.35Å; T65-T69 PolarHBondContact O-N 3.4Å; T65-T69 PolarHBondContact O-OG1 3.46Å
66	I	47.5	Very low	49.4	Very low	22 Å²	22	66.1 Å²	66.1	11%	0.113	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-46.8	175.9	-65.2	156	0	0	0	110.7	Y28 M32 T62 L63 D64 S68 T69 G70 W96	Y28-I66 HydrophobicContact CE1-CG1 4.17Å; M32-I66 HydrophobicContact CE-CB 4.39Å; M32-I66 HydrophobicContact CE-CD1 3.41Å; M32-I66 VanDerWaalsContact CE-CD1 3.41Å; M32-I66 HydrophobicContact CE-CG1 3.69Å; M32-I66 HydrophobicContact CE-CG2 3.77Å; M32-I66 HydrophobicContact CG-CD1 3.44Å; M32-I66 VanDerWaalsContact CG-CD1 3.44Å; M32-I66 HydrophobicContact CG-CG1 3.96Å; M32-I66 HydrophobicContact SD-CD1 3.4Å; M32-I66 WeakPolarHBondContact SD-CD1 3.48Å; M32-I66 HydrophobicContact SD-CG1 4.23Å; T62-I66 HydrophobicContact CG2-CD1 3.94Å; T62-I66 VanDerWaalsContact O-CD1 3.23Å; T62-I66 WeakPolarHBondContact O-CD1 3.47Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 2.88Å; L63-I66 WeakPolarHBondContact O-CA 3.25Å; L63-I66 WeakPolarHBondContact O-CB 3.2Å; L63-I66 PolarHBondContact O-N 2.93Å; D64-I66 VanDerWaalsContact C-N 3.31Å; D64-I66 PolarHBondContact O-N 3.18Å; I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å; I66-T69 PolarHBondContact O-N 2.83Å; I66-G70 WeakPolarHBondContact O-CA 3.24Å; I66-G70 PolarHBondContact O-N 3.26Å; I66-W96 HydrophobicContact CD1-CE3 4.42Å; I66-W96 HydrophobicContact CD1-CZ3 4.35Å
67	I	51.5	Low	49.9	Very low	86 Å²	86	65.9 Å²	65.9	44%	0.441	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-46	179.9	-67.9	170.5	0	0	0	109.7	L63 D64 K71	L63-I67 HydrophobicContact CD1-CD1 4.22Å; L63-I67 HydrophobicContact CD1-CG1 4.31Å; L63-I67 HydrophobicContact CD2-CD1 4.4Å; L63-I67 HydrophobicContact CG-CD1 3.93Å; L63-I67 HydrophobicContact CG-CG1 4.43Å; L63-I67 WeakPolarHBondContact O-CG1 3.38Å; L63-I67 PolarHBondContact O-N 3.31Å; D64-I67 PolarHBondContact O-N 3.08Å; I67-K71 VanDerWaalsContact O-CB 3.25Å; I67-K71 WeakPolarHBondContact O-CB 3.44Å; I67-K71 PolarHBondContact O-N 2.99Å
68	S	54.1	Low	50.4	Low	67 Å²	67	64.2 Å²	64.2	47%	0.469	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-42.5	178.5	56.1	0	0	0	0	112.8	D64 T65 I66 K71 R72	D64-S68 WeakPolarHBondContact O-CB 3.34Å; D64-S68 PolarHBondContact O-N 3.2Å; D64-S68 PolarHBondContact O-OG 2.97Å; T65-S68 WeakPolarHBondContact CA-OG 3.23Å; T65-S68 PolarHBondContact O-OG 3.49Å; I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å; S68-K71 PolarHBondContact O-N 2.7Å; S68-R72 PolarHBondContact O-N 3.03Å
69	T	50.1	Low	51	Low	20 Å²	20	64.7 Å²	64.7	12%	0.123	37%	0.372	C	S	.	.	H	α-helix	trans	-68.4	-42.7	177.1	-59	0	0	0	0	111.7	Y28 T65 I66 R72 L73	Y28-T69 HydrophobicContact CD1-CG2 4.19Å; Y28-T69 HydrophobicContact CE1-CG2 4.1Å; Y28-T69 HydrophobicContact CG-CG2 4.49Å; T65-T69 VanDerWaalsContact O-CB 3.26Å; T65-T69 WeakPolarHBondContact O-CB 3.35Å; T65-T69 PolarHBondContact O-N 3.4Å; T65-T69 PolarHBondContact O-OG1 3.46Å; I66-T69 PolarHBondContact O-N 2.83Å; T69-R72 PolarHBondContact O-N 2.87Å; T69-L73 HydrophobicContact CG2-CD1 4.22Å; T69-L73 WeakPolarHBondContact O-CG 3.43Å; T69-L73 PolarHBondContact O-N 2.93Å
70	G	48.3	Very low	51.4	Low	23 Å²	23	69.7 Å²	69.7	24%	0.237	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-44.1	175.3	0	0	0	0	0	111.4	I66 R72 L73 Y74 F85	I66-G70 WeakPolarHBondContact O-CA 3.24Å; I66-G70 PolarHBondContact O-N 3.26Å; G70-R72 PolarHBondContact O-N 2.8Å; G70-L73 PolarHBondContact O-N 3.29Å; G70-Y74 WeakPolarHBondContact O-CB 3.28Å; G70-Y74 PolarHBondContact O-N 2.77Å; G70-F85 VanDerWaalsContact O-CE1 3.28Å; G70-F85 WeakPolarHBondContact O-CE1 3.44Å
71	K	53.6	Low	51.6	Low	129 Å²	129	68.6 Å²	68.6	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-59.7	-46.5	174.1	-174.8	176.5	177.6	-177.1	0	111.7	I67 S68 L73 Y74 E75	I67-K71 VanDerWaalsContact O-CB 3.25Å; I67-K71 WeakPolarHBondContact O-CB 3.44Å; I67-K71 PolarHBondContact O-N 2.99Å; S68-K71 PolarHBondContact O-N 2.7Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.48Å; K71-Y74 WeakPolarHBondContact O-CB 3.42Å; K71-Y74 PolarHBondContact O-N 3.22Å; K71-E75 WeakPolarHBondContact CE-OE1 3.22Å; K71-E75 WeakPolarHBondContact O-CB 3.49Å; K71-E75 VanDerWaalsContact O-CG 3.31Å; K71-E75 WeakPolarHBondContact O-CG 3.37Å; K71-E75 PolarHBondContact O-N 2.86Å
72	R	56.4	Low	51.9	Low	173 Å²	173	68.8 Å²	68.8	65%	0.653	39%	0.388	S	S	*	.	H	α-helix	trans	-60	-39.8	176.5	-174.2	179.4	65.5	173.6	-1.1	112.5	S68 T69 G70 G76	S68-R72 PolarHBondContact O-N 3.03Å; T69-R72 PolarHBondContact O-N 2.87Å; G70-R72 PolarHBondContact O-N 2.8Å; R72-G76 PolarHBondContact O-N 2.99Å
73	L	52.7	Low	52.3	Low	30 Å²	30	72.2 Å²	72.2	16%	0.157	40%	0.404	C	S	.	.	H	α-helix	trans	-70.4	-42.3	176.8	-72.4	171.6	0	0	0	111.7	A21 T69 G70 K71 E75 G76 I77 F85	A21-L73 HydrophobicContact CB-CD2 4.43Å; T69-L73 HydrophobicContact CG2-CD1 4.22Å; T69-L73 WeakPolarHBondContact O-CG 3.43Å; T69-L73 PolarHBondContact O-N 2.93Å; G70-L73 PolarHBondContact O-N 3.29Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.48Å; L73-E75 VanDerWaalsContact C-N 3.32Å; L73-E75 PolarHBondContact O-N 3.47Å; L73-G76 PolarHBondContact O-N 2.89Å; L73-G76 VanDerWaalsContact O-N 3.09Å; L73-I77 WeakPolarHBondContact O-CG1 3.1Å; L73-I77 PolarHBondContact O-N 3.34Å; L73-F85 HydrophobicContact CB-CE1 4.14Å; L73-F85 HydrophobicContact CB-CE2 3.9Å; L73-F85 HydrophobicContact CB-CZ 3.38Å; L73-F85 HydrophobicContact CD1-CE2 4.42Å; L73-F85 HydrophobicContact CD1-CZ 4.13Å; L73-F85 HydrophobicContact CG-CZ 4.41Å
74	Y	44.9	Very low	52.4	Low	71 Å²	71	72.8 Å²	72.8	28%	0.278	41%	0.412	S	S	.	.	H	α-helix	trans	-60.4	-40.4	176	178.5	-106.7	0	0	0	112.4	G70 K71 G76 I77 K82 F85 K86	G70-Y74 WeakPolarHBondContact O-CB 3.28Å; G70-Y74 PolarHBondContact O-N 2.77Å; K71-Y74 WeakPolarHBondContact O-CB 3.42Å; K71-Y74 PolarHBondContact O-N 3.22Å; Y74-G76 PolarHBondContact O-N 3.49Å; Y74-I77 PolarHBondContact O-N 3.24Å; Y74-K82 HydrophobicContact CD2-CG 3.84Å; Y74-K82 HydrophobicContact CE1-CG 4.49Å; Y74-K82 HydrophobicContact CE2-CB 4.42Å; Y74-K82 HydrophobicContact CE2-CD 4.07Å; Y74-K82 HydrophobicContact CE2-CG 3.2Å; Y74-K82 WeakPolarHBondContact CE2-O 3.4Å; Y74-K82 WeakPolarHBondContact OH-CE 3.21Å; Y74-F85 AromaticContact CD2-CD1 3.79Å; Y74-F85 HydrophobicContact CD2-CD1 3.79Å; Y74-F85 HydrophobicContact CG-CD1 4.26Å; Y74-K86 HydrophobicContact CE2-CB 3.92Å
75	E	55.6	Low	52.5	Low	127 Å²	127	69.6 Å²	69.6	59%	0.593	39%	0.393	S	S	*	.	H	α-helix	trans	-64.8	-26.7	176.1	-74.4	170.2	178.1	0	0	112.4	K71 L73	K71-E75 WeakPolarHBondContact CE-OE1 3.22Å; K71-E75 WeakPolarHBondContact O-CB 3.49Å; K71-E75 VanDerWaalsContact O-CG 3.31Å; K71-E75 WeakPolarHBondContact O-CG 3.37Å; K71-E75 PolarHBondContact O-N 2.86Å; L73-E75 VanDerWaalsContact C-N 3.32Å; L73-E75 PolarHBondContact O-N 3.47Å
76	G	52.7	Low	52.7	Low	65 Å²	65	71.3 Å²	71.3	67%	0.67	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.4	176.5	0	0	0	0	0	115.2	R72 L73 Y74	R72-G76 PolarHBondContact O-N 2.99Å; L73-G76 PolarHBondContact O-N 2.89Å; L73-G76 VanDerWaalsContact O-N 3.09Å; Y74-G76 PolarHBondContact O-N 3.49Å
77	I	51.5	Low	53.1	Low	29 Å²	29	72.2 Å²	72.2	15%	0.149	41%	0.405	C	S	.	.			trans	-105.7	124.1	-177.5	-62.7	164.9	0	0	0	109.4	L73 Y74 S81 K82 F85	L73-I77 WeakPolarHBondContact O-CG1 3.1Å; L73-I77 PolarHBondContact O-N 3.34Å; Y74-I77 PolarHBondContact O-N 3.24Å; I77-S81 VanDerWaalsContact CG2-CB 3.5Å; I77-K82 HydrophobicContact CG2-CB 4.24Å; I77-F85 HydrophobicContact CD1-CB 3.79Å; I77-F85 HydrophobicContact CD1-CD1 4.29Å; I77-F85 HydrophobicContact CD1-CD2 3.25Å; I77-F85 HydrophobicContact CD1-CE2 3.86Å; I77-F85 HydrophobicContact CD1-CG 3.5Å; I77-F85 VanDerWaalsContact CD1-CG 3.5Å
78	S	51.8	Low	53.3	Low	96 Å²	96	68.9 Å²	68.9	67%	0.671	39%	0.388	S	S	*	.			trans	-106.7	156.7	171.9	60.8	0	0	0	0	111.4
79	G	59.5	Low	53.4	Low	54 Å²	54	67 Å²	67	56%	0.557	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-161.8	175.6	0	0	0	0	0	114.9	S81 K82	G79-S81 PolarHBondContact O-N 3.16Å; G79-K82 WeakPolarHBondContact O-CB 3.41Å; G79-K82 PolarHBondContact O-N 3.5Å
80	D	51.3	Low	53.9	Low	113 Å²	113	71.5 Å²	71.5	60%	0.604	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.5	-171.8	-48.9	-32.2	0	0	0	113.6	K82 D83 Y149	D80-K82 PolarHBondContact O-N 3.29Å; D80-D83 PolarHBondContact O-N 2.99Å; D80-Y149 PolarHBondContact OD2-OH 3Å; D80-Y149 VanDerWaalsContact OD2-OH 3.08Å
81	S	51.1	Low	54.3	Low	30 Å²	30	76.6 Å²	76.6	21%	0.21	42%	0.415	C	S	.	.	H	α-helix	trans	-63.1	-21.5	172.1	-65.4	0	0	0	0	113.1	I77 G79 F85	I77-S81 VanDerWaalsContact CG2-CB 3.5Å; G79-S81 PolarHBondContact O-N 3.16Å; S81-F85 WeakPolarHBondContact O-CB 3.45Å; S81-F85 PolarHBondContact O-N 3.29Å
82	K	54.3	Low	54.4	Low	74 Å²	74	71.2 Å²	71.2	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-69.1	-38.2	177.5	-169	169.5	-176.1	167.2	0	111.4	Y74 I77 G79 D80 F85 K86	Y74-K82 HydrophobicContact CD2-CG 3.84Å; Y74-K82 HydrophobicContact CE1-CG 4.49Å; Y74-K82 HydrophobicContact CE2-CB 4.42Å; Y74-K82 HydrophobicContact CE2-CD 4.07Å; Y74-K82 HydrophobicContact CE2-CG 3.2Å; Y74-K82 WeakPolarHBondContact CE2-O 3.4Å; Y74-K82 WeakPolarHBondContact OH-CE 3.21Å; I77-K82 HydrophobicContact CG2-CB 4.24Å; G79-K82 WeakPolarHBondContact O-CB 3.41Å; G79-K82 PolarHBondContact O-N 3.5Å; D80-K82 PolarHBondContact O-N 3.29Å; K82-F85 PolarHBondContact O-N 2.86Å; K82-K86 VanDerWaalsContact O-CB 3.31Å; K82-K86 WeakPolarHBondContact O-CB 3.07Å; K82-K86 PolarHBondContact O-N 3.09Å
83	D	57.6	Low	54.4	Low	110 Å²	110	65.6 Å²	65.6	59%	0.588	38%	0.377	S	S	*	.	H	α-helix	trans	-70.2	-41.6	177.4	-71.8	-19.7	0	0	0	111.2	D80 F85 K86 A87	D80-D83 PolarHBondContact O-N 2.99Å; D83-F85 VanDerWaalsContact C-N 3.35Å; D83-F85 PolarHBondContact O-N 2.87Å; D83-K86 WeakPolarHBondContact O-CB 3.46Å; D83-K86 PolarHBondContact O-N 2.98Å; D83-A87 WeakPolarHBondContact O-CB 3.31Å; D83-A87 PolarHBondContact O-N 3.34Å
84	S	51.7	Low	54.7	Low	45 Å²	45	66.3 Å²	66.3	32%	0.315	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-41	172.7	-66	0	0	0	0	112.2	A87 L88	S84-A87 PolarHBondContact O-N 3.34Å; S84-L88 WeakPolarHBondContact O-CB 3.45Å; S84-L88 PolarHBondContact O-N 3.47Å
85	F	52.9	Low	55.2	Low	35 Å²	35	64.8 Å²	64.8	15%	0.154	38%	0.384	C	S	.	.	H	α-helix	trans	-67.5	-39.4	175.8	-167.5	-85.2	0	0	0	112.1	G70 L73 Y74 I77 S81 K82 D83 L88 G89	G70-F85 VanDerWaalsContact O-CE1 3.28Å; G70-F85 WeakPolarHBondContact O-CE1 3.44Å; L73-F85 HydrophobicContact CB-CE1 4.14Å; L73-F85 HydrophobicContact CB-CE2 3.9Å; L73-F85 HydrophobicContact CB-CZ 3.38Å; L73-F85 HydrophobicContact CD1-CE2 4.42Å; L73-F85 HydrophobicContact CD1-CZ 4.13Å; L73-F85 HydrophobicContact CG-CZ 4.41Å; Y74-F85 AromaticContact CD2-CD1 3.79Å; Y74-F85 HydrophobicContact CD2-CD1 3.79Å; Y74-F85 HydrophobicContact CG-CD1 4.26Å; I77-F85 HydrophobicContact CD1-CB 3.79Å; I77-F85 HydrophobicContact CD1-CD1 4.29Å; I77-F85 HydrophobicContact CD1-CD2 3.25Å; I77-F85 HydrophobicContact CD1-CE2 3.86Å; I77-F85 HydrophobicContact CD1-CG 3.5Å; I77-F85 VanDerWaalsContact CD1-CG 3.5Å; S81-F85 WeakPolarHBondContact O-CB 3.45Å; S81-F85 PolarHBondContact O-N 3.29Å; K82-F85 PolarHBondContact O-N 2.86Å; D83-F85 VanDerWaalsContact C-N 3.35Å; D83-F85 PolarHBondContact O-N 2.87Å; F85-L88 PolarHBondContact O-N 2.83Å; F85-G89 PolarHBondContact O-N 3.42Å
86	K	56.5	Low	55.3	Low	99 Å²	99	59.4 Å²	59.4	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-49.1	174.5	-173.7	179.8	173.3	-169.1	0	111.1	Y74 K82 D83 L88 G89 E90	Y74-K86 HydrophobicContact CE2-CB 3.92Å; K82-K86 VanDerWaalsContact O-CB 3.31Å; K82-K86 WeakPolarHBondContact O-CB 3.07Å; K82-K86 PolarHBondContact O-N 3.09Å; D83-K86 WeakPolarHBondContact O-CB 3.46Å; D83-K86 PolarHBondContact O-N 2.98Å; K86-L88 VanDerWaalsContact C-N 3.27Å; K86-L88 PolarHBondContact O-N 2.84Å; K86-G89 WeakPolarHBondContact O-CA 3.43Å; K86-G89 PolarHBondContact O-N 3.03Å; K86-G89 VanDerWaalsContact O-N 3.09Å; K86-E90 WeakPolarHBondContact CE-OE1 3.35Å; K86-E90 HydrophobicContact CG-CG 4.48Å; K86-E90 WeakPolarHBondContact O-CG 3.11Å; K86-E90 PolarHBondContact O-N 3.47Å
87	A	57.3	Low	55.5	Low	40 Å²	40	61.7 Å²	61.7	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-36.9	177.6	0	0	0	0	0	112	D83 S84 K91	D83-A87 WeakPolarHBondContact O-CB 3.31Å; D83-A87 PolarHBondContact O-N 3.34Å; S84-A87 PolarHBondContact O-N 3.34Å; A87-K91 WeakPolarHBondContact O-CB 3.44Å; A87-K91 VanDerWaalsContact O-CG 3.28Å; A87-K91 WeakPolarHBondContact O-CG 3.42Å; A87-K91 PolarHBondContact O-N 3.04Å
88	L	55	Low	55.8	Low	16 Å²	16	65.8 Å²	65.8	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-47.8	172.1	-177.6	69.4	0	0	0	111.2	L29 S84 F85 K86 E90 K91 M92 A138 M142	L29-L88 HydrophobicContact CD1-CD2 3.96Å; S84-L88 WeakPolarHBondContact O-CB 3.45Å; S84-L88 PolarHBondContact O-N 3.47Å; F85-L88 PolarHBondContact O-N 2.83Å; K86-L88 VanDerWaalsContact C-N 3.27Å; K86-L88 PolarHBondContact O-N 2.84Å; L88-E90 PolarHBondContact O-N 2.89Å; L88-K91 PolarHBondContact O-N 3.4Å; L88-M92 HydrophobicContact CD1-CG 4.42Å; L88-M92 HydrophobicContact CG-CG 4.38Å; L88-M92 WeakPolarHBondContact O-CB 3.22Å; L88-M92 WeakPolarHBondContact O-CG 3.49Å; L88-M92 PolarHBondContact O-N 3.33Å; L88-A138 HydrophobicContact CD1-CB 4.03Å; L88-M142 HydrophobicContact CD1-CE 4.31Å; L88-M142 HydrophobicContact CD2-CE 3.73Å; L88-M142 HydrophobicContact CD2-SD 3.79Å
89	G	56.3	Low	55.9	Low	29 Å²	29	61.7 Å²	61.7	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-57.2	-47.3	177.4	0	0	0	0	0	112.3	F85 K86 M92 T93	F85-G89 PolarHBondContact O-N 3.42Å; K86-G89 WeakPolarHBondContact O-CA 3.43Å; K86-G89 PolarHBondContact O-N 3.03Å; K86-G89 VanDerWaalsContact O-N 3.09Å; G89-M92 WeakPolarHBondContact O-CB 3.42Å; G89-M92 PolarHBondContact O-N 3.02Å; G89-T93 PolarHBondContact O-N 2.78Å; G89-T93 PolarHBondContact O-OG1 3.09Å; G89-T93 VanDerWaalsContact O-OG1 3.1Å
90	E	60.4	Low	55.6	Low	113 Å²	113	63.4 Å²	63.4	53%	0.528	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-45.5	177.6	-72.6	173.4	171.1	0	0	112	K86 L88 M92 T93 A94	K86-E90 WeakPolarHBondContact CE-OE1 3.35Å; K86-E90 HydrophobicContact CG-CG 4.48Å; K86-E90 WeakPolarHBondContact O-CG 3.11Å; K86-E90 PolarHBondContact O-N 3.47Å; L88-E90 PolarHBondContact O-N 2.89Å; E90-M92 VanDerWaalsContact C-N 3.3Å; E90-M92 PolarHBondContact O-N 3.34Å; E90-T93 PolarHBondContact O-N 3.09Å; E90-A94 WeakPolarHBondContact O-CB 3.42Å; E90-A94 PolarHBondContact O-N 2.74Å
91	K	56.9	Low	55.9	Low	131 Å²	131	61.4 Å²	61.4	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-61.4	-40.2	174.9	-76.2	177.2	-179.7	-178.2	0	111.9	A87 L88 A94 L95	A87-K91 WeakPolarHBondContact O-CB 3.44Å; A87-K91 VanDerWaalsContact O-CG 3.28Å; A87-K91 WeakPolarHBondContact O-CG 3.42Å; A87-K91 PolarHBondContact O-N 3.04Å; L88-K91 PolarHBondContact O-N 3.4Å; K91-A94 PolarHBondContact O-N 2.95Å; K91-L95 WeakPolarHBondContact O-CB 3.09Å; K91-L95 WeakPolarHBondContact O-CG 3.39Å; K91-L95 PolarHBondContact O-N 2.94Å
92	M	55.2	Low	56	Low	15 Å²	15	63.6 Å²	63.6	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-43.5	177.7	-75.2	-62.3	-51.7	0	0	112	L29 M32 F33 L88 G89 E90 A94 L95 W96 L135	L29-M92 HydrophobicContact CD2-CE 3.69Å; L29-M92 HydrophobicContact CD2-CG 4.23Å; L29-M92 HydrophobicContact CD2-SD 4.14Å; M32-M92 HydrophobicContact CE-CE 3.34Å; M32-M92 HydrophobicContact SD-CE 4.09Å; F33-M92 HydrophobicContact CE1-CE 4.15Å; F33-M92 HydrophobicContact CE2-CE 3.69Å; F33-M92 HydrophobicContact CE2-SD 3.87Å; F33-M92 HydrophobicContact CZ-CE 3.35Å; F33-M92 HydrophobicContact CZ-SD 3.53Å; F33-M92 VanDerWaalsContact CZ-SD 3.53Å; L88-M92 HydrophobicContact CD1-CG 4.42Å; L88-M92 HydrophobicContact CG-CG 4.38Å; L88-M92 WeakPolarHBondContact O-CB 3.22Å; L88-M92 WeakPolarHBondContact O-CG 3.49Å; L88-M92 PolarHBondContact O-N 3.33Å; G89-M92 WeakPolarHBondContact O-CB 3.42Å; G89-M92 PolarHBondContact O-N 3.02Å; E90-M92 VanDerWaalsContact C-N 3.3Å; E90-M92 PolarHBondContact O-N 3.34Å; M92-A94 VanDerWaalsContact C-N 3.33Å; M92-L95 PolarHBondContact O-N 3.06Å; M92-W96 WeakPolarHBondContact O-CB 3.45Å; M92-W96 PolarHBondContact O-N 2.99Å; M92-L135 HydrophobicContact SD-CD1 3.42Å; M92-L135 WeakPolarHBondContact SD-CD1 3.31Å
93	T	56.4	Low	55.8	Low	56 Å²	56	61 Å²	61	34%	0.344	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-42.7	174.2	-61.9	0	0	0	0	111.1	G89 E90 W96 Q97	G89-T93 PolarHBondContact O-N 2.78Å; G89-T93 PolarHBondContact O-OG1 3.09Å; G89-T93 VanDerWaalsContact O-OG1 3.1Å; E90-T93 PolarHBondContact O-N 3.09Å; T93-W96 PolarHBondContact O-N 3.37Å; T93-Q97 HydrophobicContact CG2-CG 4.47Å; T93-Q97 WeakPolarHBondContact O-CB 3.5Å; T93-Q97 WeakPolarHBondContact O-CG 3.39Å; T93-Q97 PolarHBondContact O-N 3.34Å
94	A	59.7	Low	55.5	Low	44 Å²	44	57.4 Å²	57.4	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-46.8	177.3	0	0	0	0	0	112.3	E90 K91 M92 W96 Q97 Q98	E90-A94 WeakPolarHBondContact O-CB 3.42Å; E90-A94 PolarHBondContact O-N 2.74Å; K91-A94 PolarHBondContact O-N 2.95Å; M92-A94 VanDerWaalsContact C-N 3.33Å; A94-W96 VanDerWaalsContact C-N 3.29Å; A94-W96 PolarHBondContact O-N 2.8Å; A94-Q97 PolarHBondContact O-N 2.97Å; A94-Q98 WeakPolarHBondContact O-CG 3.5Å; A94-Q98 PolarHBondContact O-N 3.38Å
95	L	55.5	Low	55.5	Low	40 Å²	40	58.3 Å²	58.3	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-40.5	175.3	-75	172.2	0	0	0	111.5	K91 M92 Q98 V99	K91-L95 WeakPolarHBondContact O-CB 3.09Å; K91-L95 WeakPolarHBondContact O-CG 3.39Å; K91-L95 PolarHBondContact O-N 2.94Å; M92-L95 PolarHBondContact O-N 3.06Å; L95-Q98 WeakPolarHBondContact O-CB 3.48Å; L95-Q98 PolarHBondContact O-N 3.01Å; L95-V99 VanDerWaalsContact O-CG2 3.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.36Å; L95-V99 PolarHBondContact O-N 2.95Å
96	W	57.5	Low	55.1	Low	13 Å²	13	57.1 Å²	57.1	5%	0.049	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-44.9	176.8	-176.2	-88.6	0	0	0	112.5	M32 S36 L59 T62 L63 I66 M92 T93 A94 Q98 V99 Y100	M32-W96 HydrophobicContact SD-CE3 4.25Å; M32-W96 HydrophobicContact SD-CZ3 4.21Å; S36-W96 VanDerWaalsContact OG-CZ3 3.22Å; S36-W96 WeakPolarHBondContact OG-CZ3 3.3Å; L59-W96 HydrophobicContact CB-CZ2 4.07Å; L59-W96 HydrophobicContact CD2-CH2 3.51Å; L59-W96 HydrophobicContact CD2-CZ2 3.61Å; L59-W96 HydrophobicContact CG-CZ2 4.48Å; L59-W96 WeakPolarHBondContact O-CZ2 3.49Å; T62-W96 HydrophobicContact CG2-CH2 4.08Å; T62-W96 HydrophobicContact CG2-CZ3 4.48Å; L63-W96 HydrophobicContact CB-CZ2 4.17Å; L63-W96 HydrophobicContact CD1-CB 4.1Å; L63-W96 HydrophobicContact CD1-CD2 3.95Å; L63-W96 HydrophobicContact CD1-CG 3.45Å; L63-W96 VanDerWaalsContact CD1-CG 3.45Å; L63-W96 HydrophobicContact CD2-CG 4.44Å; L63-W96 HydrophobicContact CG-CG 4.35Å; I66-W96 HydrophobicContact CD1-CE3 4.42Å; I66-W96 HydrophobicContact CD1-CZ3 4.35Å; M92-W96 WeakPolarHBondContact O-CB 3.45Å; M92-W96 PolarHBondContact O-N 2.99Å; T93-W96 PolarHBondContact O-N 3.37Å; A94-W96 VanDerWaalsContact C-N 3.29Å; A94-W96 PolarHBondContact O-N 2.8Å; W96-Q98 PolarHBondContact O-N 3.48Å; W96-V99 WeakPolarHBondContact O-CB 3.19Å; W96-V99 PolarHBondContact O-N 3.39Å; W96-V99 VanDerWaalsContact O-N 3.11Å; W96-Y100 WeakPolarHBondContact O-CB 3.49Å; W96-Y100 PolarHBondContact O-N 3.5Å
97	Q	58.1	Low	54.5	Low	114 Å²	114	59.3 Å²	59.3	53%	0.533	31%	0.31	S	S	.	.	H	α-helix	trans	-58.1	-39.6	175.4	-77.4	175.4	-17.6	0	0	110.8	T93 A94 Y100 T101	T93-Q97 HydrophobicContact CG2-CG 4.47Å; T93-Q97 WeakPolarHBondContact O-CB 3.5Å; T93-Q97 WeakPolarHBondContact O-CG 3.39Å; T93-Q97 PolarHBondContact O-N 3.34Å; A94-Q97 PolarHBondContact O-N 2.97Å; Q97-Y100 PolarHBondContact O-N 3.36Å; Q97-T101 VanDerWaalsContact O-CB 3.3Å; Q97-T101 WeakPolarHBondContact O-CB 3.4Å; Q97-T101 PolarHBondContact O-N 2.88Å; Q97-T101 PolarHBondContact O-OG1 3.2Å
98	Q	56	Low	53.9	Low	114 Å²	114	63.7 Å²	63.7	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-47.8	172.7	-72.1	175.1	-7	0	0	112.1	A94 L95 W96 Y100 T101 E102	A94-Q98 WeakPolarHBondContact O-CG 3.5Å; A94-Q98 PolarHBondContact O-N 3.38Å; L95-Q98 WeakPolarHBondContact O-CB 3.48Å; L95-Q98 PolarHBondContact O-N 3.01Å; W96-Q98 PolarHBondContact O-N 3.48Å; Q98-Y100 VanDerWaalsContact C-N 3.33Å; Q98-Y100 PolarHBondContact O-N 2.75Å; Q98-T101 PolarHBondContact O-N 3.49Å; Q98-E102 WeakPolarHBondContact O-CB 3.5Å; Q98-E102 WeakPolarHBondContact O-CG 3.12Å; Q98-E102 PolarHBondContact O-N 2.96Å
99	V	54.7	Low	53.2	Low	11 Å²	11	66.3 Å²	66.3	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-56.3	-48.8	175.1	-179.2	0	0	0	0	110.5	L95 W96 E102 V103 F123	L95-V99 VanDerWaalsContact O-CG2 3.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.36Å; L95-V99 PolarHBondContact O-N 2.95Å; W96-V99 WeakPolarHBondContact O-CB 3.19Å; W96-V99 PolarHBondContact O-N 3.39Å; W96-V99 VanDerWaalsContact O-N 3.11Å; V99-E102 PolarHBondContact O-N 3.49Å; V99-V103 HydrophobicContact CG1-CG2 4.37Å; V99-V103 WeakPolarHBondContact O-CB 3.35Å; V99-V103 VanDerWaalsContact O-CG2 3.29Å; V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 2.88Å; V99-F123 HydrophobicContact CB-CZ 3.95Å; V99-F123 HydrophobicContact CG1-CE1 4.41Å; V99-F123 HydrophobicContact CG1-CZ 4.22Å; V99-F123 HydrophobicContact CG2-CE1 4.22Å; V99-F123 HydrophobicContact CG2-CE2 4.4Å; V99-F123 HydrophobicContact CG2-CZ 3.48Å; V99-F123 VanDerWaalsContact CG2-CZ 3.48Å
100	Y	52.8	Low	52.2	Low	89 Å²	89	69.6 Å²	69.6	35%	0.349	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-44.4	-177.5	179.8	-94.2	0	0	0	112.2	N60 W96 Q97 Q98 V103 S104	N60-Y100 WeakPolarHBondContact OD1-CE2 3.46Å; W96-Y100 WeakPolarHBondContact O-CB 3.49Å; W96-Y100 PolarHBondContact O-N 3.5Å; Q97-Y100 PolarHBondContact O-N 3.36Å; Q98-Y100 VanDerWaalsContact C-N 3.33Å; Q98-Y100 PolarHBondContact O-N 2.75Å; Y100-V103 PolarHBondContact O-N 3.25Å; Y100-S104 VanDerWaalsContact O-CB 3.25Å; Y100-S104 WeakPolarHBondContact O-CB 3.44Å; Y100-S104 PolarHBondContact O-N 3.22Å; Y100-S104 PolarHBondContact O-OG 3.42Å
101	T	58.5	Low	51.5	Low	71 Å²	71	72.2 Å²	72.2	44%	0.436	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-44.3	175.9	-67.4	0	0	0	0	110.7	Q97 Q98 S104 N105	Q97-T101 VanDerWaalsContact O-CB 3.3Å; Q97-T101 WeakPolarHBondContact O-CB 3.4Å; Q97-T101 PolarHBondContact O-N 2.88Å; Q97-T101 PolarHBondContact O-OG1 3.2Å; Q98-T101 PolarHBondContact O-N 3.49Å; T101-S104 PolarHBondContact O-N 2.97Å; T101-N105 VanDerWaalsContact O-CB 3.3Å; T101-N105 WeakPolarHBondContact O-CB 3.47Å; T101-N105 PolarHBondContact O-N 2.85Å; T101-N105 PolarHBondContact O-ND2 3.49Å
102	E	52.6	Low	51.1	Low	76 Å²	76	69.5 Å²	69.5	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-44.8	178.4	-72.7	-64	174.1	0	0	112	Q98 V99 S104 N105 M106 F123	Q98-E102 WeakPolarHBondContact O-CB 3.5Å; Q98-E102 WeakPolarHBondContact O-CG 3.12Å; Q98-E102 PolarHBondContact O-N 2.96Å; V99-E102 PolarHBondContact O-N 3.49Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.4Å; E102-N105 PolarHBondContact O-N 3.32Å; E102-M106 HydrophobicContact CB-CE 4.27Å; E102-M106 WeakPolarHBondContact O-CB 3.23Å; E102-M106 WeakPolarHBondContact O-CG 3.31Å; E102-M106 PolarHBondContact O-N 3.48Å; E102-F123 HydrophobicContact CB-CD2 4.1Å; E102-F123 HydrophobicContact CB-CE2 4.37Å; E102-F123 HydrophobicContact CG-CD2 3.8Å; E102-F123 HydrophobicContact CG-CE2 4.14Å
103	V	49.9	Very low	50.6	Low	21 Å²	21	75.8 Å²	75.8	13%	0.127	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-38.5	174.8	172.3	0	0	0	0	111.6	L40 L59 V99 Y100 M106 K107	L40-V103 HydrophobicContact CD2-CG2 3.8Å; L59-V103 HydrophobicContact CD1-CG1 4.08Å; V99-V103 HydrophobicContact CG1-CG2 4.37Å; V99-V103 WeakPolarHBondContact O-CB 3.35Å; V99-V103 VanDerWaalsContact O-CG2 3.29Å; V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 2.88Å; Y100-V103 PolarHBondContact O-N 3.25Å; V103-M106 WeakPolarHBondContact O-CB 3.35Å; V103-M106 PolarHBondContact O-N 2.85Å; V103-K107 PolarHBondContact O-N 3.46Å
104	S	51.5	Low	50.3	Low	33 Å²	33	78.7 Å²	78.7	23%	0.231	40%	0.403	C	S	.	.	H	α-helix	trans	-70.2	-38.5	177.2	-60.6	0	0	0	0	112.1	Y100 T101 E102 M106 K107 N108	Y100-S104 VanDerWaalsContact O-CB 3.25Å; Y100-S104 WeakPolarHBondContact O-CB 3.44Å; Y100-S104 PolarHBondContact O-N 3.22Å; Y100-S104 PolarHBondContact O-OG 3.42Å; T101-S104 PolarHBondContact O-N 2.97Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.4Å; S104-M106 VanDerWaalsContact C-N 3.34Å; S104-K107 WeakPolarHBondContact O-CB 3.32Å; S104-K107 PolarHBondContact O-N 3.37Å; S104-N108 PolarHBondContact O-N 2.8Å; S104-N108 VanDerWaalsContact O-N 3.09Å
105	N	51.6	Low	49.7	Very low	64 Å²	64	81.1 Å²	81.1	34%	0.342	41%	0.407	S	S	.	.	H	α-helix	trans	-65.2	-40.6	173	-75	-16	0	0	0	110.4	T101 E102 K107 N108 I109	T101-N105 VanDerWaalsContact O-CB 3.3Å; T101-N105 WeakPolarHBondContact O-CB 3.47Å; T101-N105 PolarHBondContact O-N 2.85Å; T101-N105 PolarHBondContact O-ND2 3.49Å; E102-N105 PolarHBondContact O-N 3.32Å; N105-K107 VanDerWaalsContact C-N 3.3Å; N105-K107 PolarHBondContact O-N 2.82Å; N105-N108 CarbonylContact O-C 3.54Å; N105-N108 WeakPolarHBondContact O-CA 3.47Å; N105-N108 PolarHBondContact O-N 3.24Å; N105-I109 HydrophobicContact CB-CD1 4.28Å; N105-I109 WeakPolarHBondContact O-CB 3.38Å; N105-I109 WeakPolarHBondContact O-CD1 3.46Å; N105-I109 WeakPolarHBondContact O-CG1 3.41Å; N105-I109 PolarHBondContact O-N 2.94Å
106	M	45.9	Very low	49	Very low	10 Å²	10	79.3 Å²	79.3	5%	0.049	40%	0.397	C	S	.	.	H	α-helix	trans	-57.7	-43.7	172.6	-71.3	164.4	-168.5	0	0	110.8	E102 V103 S104 N108 I109 L110 T116 L120	E102-M106 HydrophobicContact CB-CE 4.27Å; E102-M106 WeakPolarHBondContact O-CB 3.23Å; E102-M106 WeakPolarHBondContact O-CG 3.31Å; E102-M106 PolarHBondContact O-N 3.48Å; V103-M106 WeakPolarHBondContact O-CB 3.35Å; V103-M106 PolarHBondContact O-N 2.85Å; S104-M106 VanDerWaalsContact C-N 3.34Å; M106-N108 VanDerWaalsContact C-N 3.26Å; M106-N108 PolarHBondContact O-N 2.76Å; M106-I109 CarbonylContact O-C 3.59Å; M106-I109 PolarHBondContact O-N 3.47Å; M106-I109 VanDerWaalsContact O-N 3.09Å; M106-L110 WeakPolarHBondContact O-CG 3.33Å; M106-L110 PolarHBondContact O-N 2.89Å; M106-L110 VanDerWaalsContact O-N 3.11Å; M106-T116 HydrophobicContact CB-CG2 4.23Å; M106-T116 HydrophobicContact CG-CG2 4.23Å; M106-L120 HydrophobicContact CE-CB 4.32Å; M106-L120 HydrophobicContact CE-CD1 4.39Å; M106-L120 HydrophobicContact CE-CG 3.72Å; M106-L120 HydrophobicContact SD-CD1 3.78Å; M106-L120 HydrophobicContact SD-CD2 4.42Å; M106-L120 HydrophobicContact SD-CG 3.65Å
107	K	43	Very low	48.4	Very low	146 Å²	146	80.5 Å²	80.5	64%	0.635	41%	0.405	S	S	*	.	H	α-helix	trans	-58.4	-35.8	173.3	-172.2	179	178.2	178.7	0	112.9	V103 S104 N105 L110	V103-K107 PolarHBondContact O-N 3.46Å; S104-K107 WeakPolarHBondContact O-CB 3.32Å; S104-K107 PolarHBondContact O-N 3.37Å; N105-K107 VanDerWaalsContact C-N 3.3Å; N105-K107 PolarHBondContact O-N 2.82Å; K107-L110 HydrophobicContact CG-CD1 4.35Å
108	N	43.8	Very low	48.1	Very low	131 Å²	131	81.3 Å²	81.3	70%	0.701	41%	0.406	S	S	*	.	H	α-helix	trans	-81.6	-21.9	176.5	-67.9	-24.1	0	0	0	113.4	S104 N105 M106	S104-N108 PolarHBondContact O-N 2.8Å; S104-N108 VanDerWaalsContact O-N 3.09Å; N105-N108 CarbonylContact O-C 3.54Å; N105-N108 WeakPolarHBondContact O-CA 3.47Å; N105-N108 PolarHBondContact O-N 3.24Å; M106-N108 VanDerWaalsContact C-N 3.26Å; M106-N108 PolarHBondContact O-N 2.76Å
109	I	40.3	Very low	47.7	Very low	72 Å²	72	77.7 Å²	77.7	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-91.5	1.2	179.3	-66.5	164.7	0	0	0	111.8	N105 M106 N111 D112 Q115	N105-I109 HydrophobicContact CB-CD1 4.28Å; N105-I109 WeakPolarHBondContact O-CB 3.38Å; N105-I109 WeakPolarHBondContact O-CD1 3.46Å; N105-I109 WeakPolarHBondContact O-CG1 3.41Å; N105-I109 PolarHBondContact O-N 2.94Å; M106-I109 CarbonylContact O-C 3.59Å; M106-I109 PolarHBondContact O-N 3.47Å; M106-I109 VanDerWaalsContact O-N 3.09Å; I109-N111 PolarHBondContact O-N 2.94Å; I109-D112 PolarHBondContact O-N 3.01Å; I109-Q115 HydrophobicContact CG2-CB 4.17Å
110	L	36.3	Very low	47.1	Very low	97 Å²	97	77.2 Å²	77.2	51%	0.508	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	15.7	176.2	-78.7	173	0	0	0	116.4	M106 K107	M106-L110 WeakPolarHBondContact O-CG 3.33Å; M106-L110 PolarHBondContact O-N 2.89Å; M106-L110 VanDerWaalsContact O-N 3.11Å; K107-L110 HydrophobicContact CG-CD1 4.35Å
111	N	44.5	Very low	46.9	Very low	169 Å²	169	77.9 Å²	77.9	90%	0.904	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.2	161.9	-78.3	-15.8	0	0	0	113.8	I109	I109-N111 PolarHBondContact O-N 2.94Å
112	D	50.2	Low	46.7	Very low	74 Å²	74	77.4 Å²	77.4	40%	0.396	40%	0.396	S	S	.	.			trans	-140.5	94.5	177.2	-167.4	-16.7	0	0	0	111.6	I109 N114 Q115 T116	I109-D112 PolarHBondContact O-N 3.01Å; D112-N114 PolarHBondContact O-N 2.97Å; D112-N114 PolarHBondContact OD1-N 3.47Å; D112-Q115 HydrophobicContact CB-CB 4.24Å; D112-Q115 HydrophobicContact CB-CG 4.15Å; D112-Q115 PolarHBondContact O-N 3.24Å; D112-Q115 VanDerWaalsContact OD2-CG 3.26Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.44Å; D112-T116 PolarHBondContact O-N 3.13Å; D112-T116 PolarHBondContact O-OG1 2.96Å
113	E	44.8	Very low	46.4	Very low	147 Å²	147	75 Å²	75	69%	0.687	38%	0.384	S	S	*	.	H	α-helix	trans	-54.3	-36	-179.2	-70.1	178.3	156.9	0	0	112.7	T116 I117	E113-T116 WeakPolarHBondContact O-CB 3.47Å; E113-T116 PolarHBondContact O-N 3.08Å; E113-I117 PolarHBondContact O-N 3.12Å; E113-I117 VanDerWaalsContact O-N 3.17Å
114	N	49.5	Very low	46.3	Very low	116 Å²	116	77.3 Å²	77.3	62%	0.62	40%	0.399	S	S	*	.	H	α-helix	trans	-73.2	-34.3	-177	-81.3	-39.4	0	0	0	113	D112 T116 K118	D112-N114 PolarHBondContact O-N 2.97Å; D112-N114 PolarHBondContact OD1-N 3.47Å; N114-T116 VanDerWaalsContact C-N 3.31Å; N114-K118 WeakPolarHBondContact O-CG 3.24Å; N114-K118 PolarHBondContact O-N 3.36Å
115	Q	47.5	Very low	46.4	Very low	96 Å²	96	81.5 Å²	81.5	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-70.6	-33.8	174.4	-69.7	-67.3	-12	0	0	111.3	I109 D112 S119	I109-Q115 HydrophobicContact CG2-CB 4.17Å; D112-Q115 HydrophobicContact CB-CB 4.24Å; D112-Q115 HydrophobicContact CB-CG 4.15Å; D112-Q115 PolarHBondContact O-N 3.24Å; D112-Q115 VanDerWaalsContact OD2-CG 3.26Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.44Å; Q115-S119 VanDerWaalsContact O-CB 3.32Å; Q115-S119 WeakPolarHBondContact O-CB 3.47Å; Q115-S119 PolarHBondContact O-N 2.91Å; Q115-S119 PolarHBondContact O-OG 2.9Å
116	T	40.8	Very low	46.3	Very low	1 Å²	1	82.1 Å²	82.1	1%	0.006	42%	0.416	C	S	.	.	H	α-helix	trans	-65.3	-47.1	179.4	-53.8	0	0	0	0	111.1	I47 M106 D112 E113 N114 S119 L120	I47-T116 HydrophobicContact CD1-CG2 3.72Å; M106-T116 HydrophobicContact CB-CG2 4.23Å; M106-T116 HydrophobicContact CG-CG2 4.23Å; D112-T116 PolarHBondContact O-N 3.13Å; D112-T116 PolarHBondContact O-OG1 2.96Å; E113-T116 WeakPolarHBondContact O-CB 3.47Å; E113-T116 PolarHBondContact O-N 3.08Å; N114-T116 VanDerWaalsContact C-N 3.31Å; T116-S119 PolarHBondContact O-N 3.46Å; T116-L120 HydrophobicContact CG2-CD1 4.12Å; T116-L120 WeakPolarHBondContact O-CB 3.5Å; T116-L120 PolarHBondContact O-N 2.95Å
117	I	43.9	Very low	46.5	Very low	39 Å²	39	83.5 Å²	83.5	20%	0.2	42%	0.422	C	S	.	.	H	α-helix	trans	-60.5	-48.4	176.8	-67.5	168.7	0	0	0	111.3	Y44 I47 T48 E113 S119 L120 E121	Y44-I117 HydrophobicContact CE2-CG2 4.23Å; I47-I117 HydrophobicContact CG2-CG1 4.04Å; T48-I117 HydrophobicContact CG2-CD1 3.9Å; T48-I117 HydrophobicContact CG2-CG1 4.06Å; E113-I117 PolarHBondContact O-N 3.12Å; E113-I117 VanDerWaalsContact O-N 3.17Å; I117-S119 VanDerWaalsContact C-N 3.33Å; I117-S119 PolarHBondContact O-N 2.86Å; I117-L120 WeakPolarHBondContact O-CB 3.38Å; I117-L120 PolarHBondContact O-N 3.44Å; I117-E121 HydrophobicContact CG2-CG 4.42Å; I117-E121 WeakPolarHBondContact O-CG 3.35Å; I117-E121 PolarHBondContact O-N 2.83Å
118	K	51.1	Low	46.6	Very low	131 Å²	131	86 Å²	86	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-62.9	-37.8	179.2	-73.3	178.7	-179.8	176.1	0	113	N114 S122	N114-K118 WeakPolarHBondContact O-CG 3.24Å; N114-K118 PolarHBondContact O-N 3.36Å; K118-S122 VanDerWaalsContact O-CB 3.25Å; K118-S122 WeakPolarHBondContact O-CB 3.33Å; K118-S122 PolarHBondContact O-N 3.4Å
119	S	47.8	Very low	47	Very low	37 Å²	37	84.5 Å²	84.5	26%	0.259	42%	0.416	S	S	.	.	H	α-helix	trans	-67.5	-41.4	177.1	-58.9	0	0	0	0	110.9	Q115 T116 I117 S122 F123	Q115-S119 VanDerWaalsContact O-CB 3.32Å; Q115-S119 WeakPolarHBondContact O-CB 3.47Å; Q115-S119 PolarHBondContact O-N 2.91Å; Q115-S119 PolarHBondContact O-OG 2.9Å; T116-S119 PolarHBondContact O-N 3.46Å; I117-S119 VanDerWaalsContact C-N 3.33Å; I117-S119 PolarHBondContact O-N 2.86Å; S119-S122 PolarHBondContact O-N 3.34Å; S119-F123 WeakPolarHBondContact O-CB 3.5Å; S119-F123 PolarHBondContact O-N 2.88Å
120	L	44	Very low	47.5	Very low	2 Å²	2	86.5 Å²	86.5	1%	0.01	42%	0.424	C	S	.	.	H	α-helix	trans	-62	-46.8	173	-100.6	140.4	0	0	0	112.3	V43 Y44 I47 M106 T116 I117 F123 V124	V43-L120 HydrophobicContact CG1-CD1 4.36Å; Y44-L120 HydrophobicContact CD2-CB 4.37Å; I47-L120 HydrophobicContact CD1-CD1 3.58Å; M106-L120 HydrophobicContact CE-CB 4.32Å; M106-L120 HydrophobicContact CE-CD1 4.39Å; M106-L120 HydrophobicContact CE-CG 3.72Å; M106-L120 HydrophobicContact SD-CD1 3.78Å; M106-L120 HydrophobicContact SD-CD2 4.42Å; M106-L120 HydrophobicContact SD-CG 3.65Å; T116-L120 HydrophobicContact CG2-CD1 4.12Å; T116-L120 WeakPolarHBondContact O-CB 3.5Å; T116-L120 PolarHBondContact O-N 2.95Å; I117-L120 WeakPolarHBondContact O-CB 3.38Å; I117-L120 PolarHBondContact O-N 3.44Å; L120-F123 PolarHBondContact O-N 3.44Å; L120-V124 WeakPolarHBondContact O-CB 3.04Å; L120-V124 VanDerWaalsContact O-CG2 3.24Å; L120-V124 WeakPolarHBondContact O-CG2 3.28Å; L120-V124 PolarHBondContact O-N 2.81Å
121	E	48.1	Very low	48	Very low	103 Å²	103	82.1 Å²	82.1	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-44.9	177	-73.3	179.9	151.7	0	0	111.7	Y44 I117 V124 K125	Y44-E121 HydrophobicContact CE2-CG 4.44Å; I117-E121 HydrophobicContact CG2-CG 4.42Å; I117-E121 WeakPolarHBondContact O-CG 3.35Å; I117-E121 PolarHBondContact O-N 2.83Å; E121-V124 PolarHBondContact O-N 3.47Å; E121-K125 WeakPolarHBondContact O-CB 3.48Å; E121-K125 PolarHBondContact O-N 2.85Å
122	S	53.1	Low	48.2	Very low	60 Å²	60	77.7 Å²	77.7	42%	0.42	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176.6	-173.7	0	0	0	0	111.5	K118 S119 K125 N126	K118-S122 VanDerWaalsContact O-CB 3.25Å; K118-S122 WeakPolarHBondContact O-CB 3.33Å; K118-S122 PolarHBondContact O-N 3.4Å; S119-S122 PolarHBondContact O-N 3.34Å; S122-K125 PolarHBondContact O-N 3.13Å; S122-N126 WeakPolarHBondContact O-CB 3.26Å; S122-N126 PolarHBondContact O-N 3.22Å; S122-N126 PolarHBondContact O-ND2 3.35Å
123	F	47.7	Very low	48.2	Very low	25 Å²	25	77.8 Å²	77.8	11%	0.11	38%	0.379	C	S	.	.	H	α-helix	trans	-61.6	-49.4	176.3	-179.7	-96.9	0	0	0	111.5	L40 V99 E102 S119 L120 K125 N126 F127	L40-F123 HydrophobicContact CD1-CD1 4.2Å; L40-F123 HydrophobicContact CD1-CE1 3.69Å; V99-F123 HydrophobicContact CB-CZ 3.95Å; V99-F123 HydrophobicContact CG1-CE1 4.41Å; V99-F123 HydrophobicContact CG1-CZ 4.22Å; V99-F123 HydrophobicContact CG2-CE1 4.22Å; V99-F123 HydrophobicContact CG2-CE2 4.4Å; V99-F123 HydrophobicContact CG2-CZ 3.48Å; V99-F123 VanDerWaalsContact CG2-CZ 3.48Å; E102-F123 HydrophobicContact CB-CD2 4.1Å; E102-F123 HydrophobicContact CB-CE2 4.37Å; E102-F123 HydrophobicContact CG-CD2 3.8Å; E102-F123 HydrophobicContact CG-CE2 4.14Å; S119-F123 WeakPolarHBondContact O-CB 3.5Å; S119-F123 PolarHBondContact O-N 2.88Å; L120-F123 PolarHBondContact O-N 3.44Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 3.08Å; F123-N126 PolarHBondContact O-N 3.43Å; F123-F127 WeakPolarHBondContact O-CB 3.35Å; F123-F127 PolarHBondContact O-N 3.09Å
124	V	47.5	Very low	48.3	Very low	71 Å²	71	74.2 Å²	74.2	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-41	177.3	169.6	0	0	0	0	110.9	L120 E121 F127 R128	L120-V124 WeakPolarHBondContact O-CB 3.04Å; L120-V124 VanDerWaalsContact O-CG2 3.24Å; L120-V124 WeakPolarHBondContact O-CG2 3.28Å; L120-V124 PolarHBondContact O-N 2.81Å; E121-V124 PolarHBondContact O-N 3.47Å; V124-F127 PolarHBondContact O-N 3.42Å; V124-R128 VanDerWaalsContact O-CB 3.22Å; V124-R128 WeakPolarHBondContact O-CB 3.19Å; V124-R128 PolarHBondContact O-N 3.44Å
125	K	52.5	Low	48.2	Very low	120 Å²	120	69.9 Å²	69.9	52%	0.522	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-52.7	177	-177.1	-179.4	175.8	-173.9	0	111.4	E121 S122 F123 F127 R128 E129	E121-K125 WeakPolarHBondContact O-CB 3.48Å; E121-K125 PolarHBondContact O-N 2.85Å; S122-K125 PolarHBondContact O-N 3.13Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 3.08Å; K125-F127 VanDerWaalsContact C-N 3.27Å; K125-F127 PolarHBondContact O-N 3.06Å; K125-R128 PolarHBondContact O-N 2.87Å; K125-R128 VanDerWaalsContact O-N 3.12Å; K125-E129 WeakPolarHBondContact CE-OE1 3.48Å; K125-E129 HydrophobicContact CG-CG 4.33Å; K125-E129 WeakPolarHBondContact CG-OE1 3.36Å; K125-E129 WeakPolarHBondContact O-CB 3.25Å; K125-E129 WeakPolarHBondContact O-CG 3.42Å; K125-E129 PolarHBondContact O-N 3.38Å
126	N	50.8	Low	48.2	Very low	78 Å²	78	70 Å²	70	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-58.5	-41.7	176.8	-78.1	-21.1	0	0	0	111.4	S122 F123 E129 H130	S122-N126 WeakPolarHBondContact O-CB 3.26Å; S122-N126 PolarHBondContact O-N 3.22Å; S122-N126 PolarHBondContact O-ND2 3.35Å; F123-N126 PolarHBondContact O-N 3.43Å; N126-E129 PolarHBondContact O-N 3.29Å; N126-H130 WeakPolarHBondContact O-CA 3.26Å; N126-H130 VanDerWaalsContact O-CB 3.31Å; N126-H130 WeakPolarHBondContact O-CB 3.27Å; N126-H130 PolarHBondContact O-N 2.91Å
127	F	48.8	Very low	48.8	Very low	39 Å²	39	74.3 Å²	74.3	17%	0.171	37%	0.369	C	S	.	.	I	π-helix	trans	-66.1	-39.9	177.6	-172.3	-93.2	0	0	0	111.8	F33 F123 V124 K125 G131 T132	F33-F127 HydrophobicContact CD1-CE1 4.18Å; F33-F127 HydrophobicContact CD1-CE2 4.36Å; F33-F127 AromaticContact CD1-CZ 3.45Å; F33-F127 HydrophobicContact CD1-CZ 3.45Å; F33-F127 VanDerWaalsContact CD1-CZ 3.45Å; F33-F127 HydrophobicContact CE1-CE1 4.46Å; F33-F127 AromaticContact CE1-CE2 3.9Å; F33-F127 HydrophobicContact CE1-CE2 3.9Å; F33-F127 AromaticContact CE1-CZ 3.36Å; F33-F127 HydrophobicContact CE1-CZ 3.36Å; F33-F127 HydrophobicContact CZ-CZ 4.39Å; F123-F127 WeakPolarHBondContact O-CB 3.35Å; F123-F127 PolarHBondContact O-N 3.09Å; V124-F127 PolarHBondContact O-N 3.42Å; K125-F127 VanDerWaalsContact C-N 3.27Å; K125-F127 PolarHBondContact O-N 3.06Å; F127-G131 CarbonylContact O-C 3.46Å; F127-G131 WeakPolarHBondContact O-CA 3.39Å; F127-G131 PolarHBondContact O-N 3.44Å; F127-T132 PolarHBondContact O-N 3.25Å; F127-T132 VanDerWaalsContact O-N 3.15Å
128	R	46.4	Very low	48.9	Very low	197 Å²	197	73.4 Å²	73.4	74%	0.743	37%	0.367	S	S	*	.	I	π-helix	trans	-67.1	-44.6	176.5	-164.5	178.5	-154.3	-177.9	5.6	111.8	V124 K125 T132	V124-R128 VanDerWaalsContact O-CB 3.22Å; V124-R128 WeakPolarHBondContact O-CB 3.19Å; V124-R128 PolarHBondContact O-N 3.44Å; K125-R128 PolarHBondContact O-N 2.87Å; K125-R128 VanDerWaalsContact O-N 3.12Å; R128-T132 PolarHBondContact O-OG1 2.94Å
129	E	51.5	Low	48.7	Very low	101 Å²	101	68.9 Å²	68.9	47%	0.472	35%	0.349	S	S	.	.	I	π-helix	trans	-74.1	-40.5	-176.6	-71.6	176.3	175.4	0	0	112.4	K125 N126	K125-E129 WeakPolarHBondContact CE-OE1 3.48Å; K125-E129 HydrophobicContact CG-CG 4.33Å; K125-E129 WeakPolarHBondContact CG-OE1 3.36Å; K125-E129 WeakPolarHBondContact O-CB 3.25Å; K125-E129 WeakPolarHBondContact O-CG 3.42Å; K125-E129 PolarHBondContact O-N 3.38Å; N126-E129 PolarHBondContact O-N 3.29Å
130	H	51.8	Low	48.8	Very low	114 Å²	114	70.9 Å²	70.9	53%	0.528	35%	0.354	S	S	.	.	I	π-helix	trans	-115	-35.6	-172.2	-58.3	-55.5	0	0	0	114.1	N126 S134	N126-H130 WeakPolarHBondContact O-CA 3.26Å; N126-H130 VanDerWaalsContact O-CB 3.31Å; N126-H130 WeakPolarHBondContact O-CB 3.27Å; N126-H130 PolarHBondContact O-N 2.91Å; H130-S134 WeakPolarHBondContact O-CB 3.38Å; H130-S134 PolarHBondContact O-N 3.24Å; H130-S134 PolarHBondContact O-OG 3.36Å
131	G	46	Very low	49.1	Very low	5 Å²	5	75.3 Å²	75.3	5%	0.052	38%	0.375	C	S	.	.	I	π-helix	trans	-65.2	-49.8	-180	0	0	0	0	0	111.1	F127 L135	F127-G131 CarbonylContact O-C 3.46Å; F127-G131 WeakPolarHBondContact O-CA 3.39Å; F127-G131 PolarHBondContact O-N 3.44Å; G131-L135 VanDerWaalsContact O-CB 3.23Å; G131-L135 WeakPolarHBondContact O-CB 3.26Å; G131-L135 PolarHBondContact O-N 2.86Å
132	T	47.6	Very low	49	Very low	75 Å²	75	71.4 Å²	71.4	46%	0.46	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-43.1	179.8	-29.5	0	0	0	0	112.3	F127 R128 L135 K136	F127-T132 PolarHBondContact O-N 3.25Å; F127-T132 VanDerWaalsContact O-N 3.15Å; R128-T132 PolarHBondContact O-OG1 2.94Å; T132-L135 PolarHBondContact O-N 3.42Å; T132-K136 WeakPolarHBondContact O-CB 3.48Å; T132-K136 PolarHBondContact O-N 3.2Å
133	E	50.9	Low	48.7	Very low	77 Å²	77	72 Å²	72	36%	0.36	35%	0.352	S	S	.	.	H	α-helix	trans	-74.6	-36.9	-177.1	-161.3	62	-154.2	0	0	111.7	L135 K136 N137	E133-L135 VanDerWaalsContact C-N 3.34Å; E133-K136 VanDerWaalsContact CD-NZ 3.29Å; E133-K136 PolarHBondContact O-N 3.41Å; E133-K136 IonicContact OE1-NZ 2.8Å; E133-K136 PolarHBondContact OE1-NZ 3.44Å; E133-K136 IonicContact OE2-NZ 2.83Å; E133-K136 PolarHBondContact OE2-NZ 2.93Å; E133-N137 VanDerWaalsContact O-CB 3.25Å; E133-N137 WeakPolarHBondContact O-CB 3.33Å; E133-N137 PolarHBondContact O-N 2.73Å; E133-N137 PolarHBondContact O-ND2 2.88Å
134	S	47.5	Very low	49	Very low	71 Å²	71	76.9 Å²	76.9	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-41.7	173.1	-60.7	0	0	0	0	111.5	H130 A138	H130-S134 WeakPolarHBondContact O-CB 3.38Å; H130-S134 PolarHBondContact O-N 3.24Å; H130-S134 PolarHBondContact O-OG 3.36Å; S134-A138 WeakPolarHBondContact O-CB 3.34Å; S134-A138 PolarHBondContact O-N 3.44Å
135	L	46.6	Very low	48.8	Very low	26 Å²	26	75.7 Å²	75.7	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-43.7	175.1	-157.8	91.1	0	0	0	111.1	F33 M92 G131 T132 E133 A138 L139	F33-L135 HydrophobicContact CD2-CD2 3.82Å; F33-L135 HydrophobicContact CE2-CD1 3.48Å; F33-L135 VanDerWaalsContact CE2-CD1 3.48Å; F33-L135 HydrophobicContact CE2-CD2 3.33Å; F33-L135 HydrophobicContact CE2-CG 4.03Å; F33-L135 HydrophobicContact CZ-CD1 3.61Å; F33-L135 HydrophobicContact CZ-CD2 4.1Å; F33-L135 HydrophobicContact CZ-CG 4.44Å; M92-L135 HydrophobicContact SD-CD1 3.42Å; M92-L135 WeakPolarHBondContact SD-CD1 3.31Å; G131-L135 VanDerWaalsContact O-CB 3.23Å; G131-L135 WeakPolarHBondContact O-CB 3.26Å; G131-L135 PolarHBondContact O-N 2.86Å; T132-L135 PolarHBondContact O-N 3.42Å; E133-L135 VanDerWaalsContact C-N 3.34Å; L135-A138 PolarHBondContact O-N 2.87Å; L135-L139 HydrophobicContact CD2-CD1 3.92Å; L135-L139 HydrophobicContact CG-CD1 4.11Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 WeakPolarHBondContact O-CD1 3.13Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.39Å
136	K	47.9	Very low	48.2	Very low	99 Å²	99	72.5 Å²	72.5	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-43.1	177.3	178.5	169.8	152.9	-113	0	111.5	T132 E133 L139 E140	T132-K136 WeakPolarHBondContact O-CB 3.48Å; T132-K136 PolarHBondContact O-N 3.2Å; E133-K136 VanDerWaalsContact CD-NZ 3.29Å; E133-K136 PolarHBondContact O-N 3.41Å; E133-K136 IonicContact OE1-NZ 2.8Å; E133-K136 PolarHBondContact OE1-NZ 3.44Å; E133-K136 IonicContact OE2-NZ 2.83Å; E133-K136 PolarHBondContact OE2-NZ 2.93Å; K136-L139 PolarHBondContact O-N 3.34Å; K136-E140 HydrophobicContact CG-CG 4.44Å; K136-E140 WeakPolarHBondContact O-CB 3.32Å; K136-E140 WeakPolarHBondContact O-CG 3.4Å; K136-E140 PolarHBondContact O-N 2.88Å
137	N	54.2	Low	48	Very low	91 Å²	91	77.1 Å²	77.1	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-42.4	174.7	-75.8	-23.2	0	0	0	111.5	E133 E140 Q141	E133-N137 VanDerWaalsContact O-CB 3.25Å; E133-N137 WeakPolarHBondContact O-CB 3.33Å; E133-N137 PolarHBondContact O-N 2.73Å; E133-N137 PolarHBondContact O-ND2 2.88Å; N137-E140 PolarHBondContact O-N 3.26Å; N137-Q141 VanDerWaalsContact O-CB 3.31Å; N137-Q141 WeakPolarHBondContact O-CB 3.37Å; N137-Q141 PolarHBondContact O-N 2.74Å
138	A	46.2	Very low	47.9	Very low	19 Å²	19	78.1 Å²	78.1	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-45.4	173.3	0	0	0	0	0	111.2	L88 S134 L135 Q141 M142	L88-A138 HydrophobicContact CD1-CB 4.03Å; S134-A138 WeakPolarHBondContact O-CB 3.34Å; S134-A138 PolarHBondContact O-N 3.44Å; L135-A138 PolarHBondContact O-N 2.87Å; A138-Q141 PolarHBondContact O-N 2.92Å; A138-M142 WeakPolarHBondContact O-CB 3.34Å; A138-M142 WeakPolarHBondContact O-CE 3.26Å; A138-M142 WeakPolarHBondContact O-CG 3.45Å; A138-M142 PolarHBondContact O-N 3.42Å
139	L	45.3	Very low	47.6	Very low	36 Å²	36	73.3 Å²	73.3	19%	0.188	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-42.5	177.7	-69.5	165	0	0	0	112.5	Q26 L135 K136 M142 K143	Q26-L139 HydrophobicContact CB-CD2 4.39Å; Q26-L139 HydrophobicContact CG-CD2 3.58Å; Q26-L139 VanDerWaalsContact NE2-CD2 3.27Å; L135-L139 HydrophobicContact CD2-CD1 3.92Å; L135-L139 HydrophobicContact CG-CD1 4.11Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 WeakPolarHBondContact O-CD1 3.13Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.39Å; K136-L139 PolarHBondContact O-N 3.34Å; L139-M142 HydrophobicContact CB-CE 4.44Å; L139-M142 HydrophobicContact CD2-CE 3.71Å; L139-M142 HydrophobicContact CG-CE 4.23Å; L139-M142 PolarHBondContact O-N 3.42Å; L139-K143 WeakPolarHBondContact O-CG 3.29Å; L139-K143 PolarHBondContact O-N 3.32Å
140	E	51.2	Low	47	Very low	79 Å²	79	74.2 Å²	74.2	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-69.5	-38.7	177.3	-75.3	-59.1	131.6	0	0	112	K136 N137 K143 K144	K136-E140 HydrophobicContact CG-CG 4.44Å; K136-E140 WeakPolarHBondContact O-CB 3.32Å; K136-E140 WeakPolarHBondContact O-CG 3.4Å; K136-E140 PolarHBondContact O-N 2.88Å; N137-E140 PolarHBondContact O-N 3.26Å; E140-K143 PolarHBondContact O-N 3.49Å; E140-K143 IonicContact OE1-NZ 2.89Å; E140-K143 PolarHBondContact OE1-NZ 3.28Å; E140-K144 WeakPolarHBondContact O-CG 3.38Å; E140-K144 PolarHBondContact O-N 3.25Å
141	Q	49.7	Very low	46.9	Very low	96 Å²	96	78.1 Å²	78.1	45%	0.449	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-46.2	173.7	-173	57.9	41.1	0	0	110.6	N137 A138 K143 K144 D145	N137-Q141 VanDerWaalsContact O-CB 3.31Å; N137-Q141 WeakPolarHBondContact O-CB 3.37Å; N137-Q141 PolarHBondContact O-N 2.74Å; A138-Q141 PolarHBondContact O-N 2.92Å; Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 2.93Å; Q141-K144 WeakPolarHBondContact O-CB 3.35Å; Q141-K144 PolarHBondContact O-N 2.95Å; Q141-D145 PolarHBondContact NE2-OD1 3.47Å; Q141-D145 VanDerWaalsContact O-CG 3.24Å; Q141-D145 PolarHBondContact O-N 3.46Å
142	M	46.1	Very low	46.7	Very low	21 Å²	21	86.3 Å²	86.3	10%	0.103	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-36	177.4	-68.2	-178.9	-57.2	0	0	113	F22 L88 A138 L139 D145 E146	F22-M142 HydrophobicContact CE2-CB 3.47Å; F22-M142 VanDerWaalsContact CE2-CB 3.47Å; F22-M142 HydrophobicContact CE2-CE 3.78Å; F22-M142 HydrophobicContact CE2-CG 4.12Å; F22-M142 HydrophobicContact CE2-SD 3.71Å; F22-M142 HydrophobicContact CZ-CB 3.41Å; F22-M142 VanDerWaalsContact CZ-CB 3.41Å; F22-M142 HydrophobicContact CZ-CE 4.04Å; F22-M142 HydrophobicContact CZ-CG 4.45Å; F22-M142 HydrophobicContact CZ-SD 4.4Å; L88-M142 HydrophobicContact CD1-CE 4.31Å; L88-M142 HydrophobicContact CD2-CE 3.73Å; L88-M142 HydrophobicContact CD2-SD 3.79Å; A138-M142 WeakPolarHBondContact O-CB 3.34Å; A138-M142 WeakPolarHBondContact O-CE 3.26Å; A138-M142 WeakPolarHBondContact O-CG 3.45Å; A138-M142 PolarHBondContact O-N 3.42Å; L139-M142 HydrophobicContact CB-CE 4.44Å; L139-M142 HydrophobicContact CD2-CE 3.71Å; L139-M142 HydrophobicContact CG-CE 4.23Å; L139-M142 PolarHBondContact O-N 3.42Å; M142-D145 PolarHBondContact O-N 2.9Å; M142-E146 PolarHBondContact O-N 3.31Å
143	K	46.4	Very low	46.6	Very low	71 Å²	71	86.9 Å²	86.9	31%	0.309	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-36.5	171.4	-75.1	177.9	-170.2	167.3	0	112.7	F22 L139 E140 Q141 R147	F22-K143 HydrophobicContact CE1-CG 4.34Å; L139-K143 WeakPolarHBondContact O-CG 3.29Å; L139-K143 PolarHBondContact O-N 3.32Å; E140-K143 PolarHBondContact O-N 3.49Å; E140-K143 IonicContact OE1-NZ 2.89Å; E140-K143 PolarHBondContact OE1-NZ 3.28Å; Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 2.93Å; K143-R147 WeakPolarHBondContact O-CG 3.44Å; K143-R147 PolarHBondContact O-N 3.28Å; K143-R147 VanDerWaalsContact O-N 3.08Å
144	K	54.4	Low	46.4	Very low	129 Å²	129	87.4 Å²	87.4	56%	0.561	43%	0.431	S	S	*	.	H	α-helix	trans	-65.4	-43.2	174.8	-75.7	178.4	-179	176.2	0	110.7	E140 Q141 R147 A148	E140-K144 WeakPolarHBondContact O-CG 3.38Å; E140-K144 PolarHBondContact O-N 3.25Å; Q141-K144 WeakPolarHBondContact O-CB 3.35Å; Q141-K144 PolarHBondContact O-N 2.95Å; K144-R147 PolarHBondContact O-N 3.17Å; K144-A148 PolarHBondContact O-N 3.38Å
145	D	43.7	Very low	46.3	Very low	46 Å²	46	88.3 Å²	88.3	25%	0.246	43%	0.428	C	S	.	.	H	α-helix	trans	-62.3	-44.5	177.3	-59.3	-14.2	0	0	0	110.1	Q141 M142 R147 A148 Y149	Q141-D145 PolarHBondContact NE2-OD1 3.47Å; Q141-D145 VanDerWaalsContact O-CG 3.24Å; Q141-D145 PolarHBondContact O-N 3.46Å; M142-D145 PolarHBondContact O-N 2.9Å; D145-R147 VanDerWaalsContact C-N 3.35Å; D145-R147 PolarHBondContact O-N 3.09Å; D145-A148 WeakPolarHBondContact O-CB 3.5Å; D145-A148 PolarHBondContact O-N 3.1Å; D145-A148 VanDerWaalsContact O-N 3.13Å; D145-Y149 VanDerWaalsContact O-CD2 3.26Å; D145-Y149 WeakPolarHBondContact O-CD2 3.42Å; D145-Y149 PolarHBondContact O-N 3.02Å; D145-Y149 VanDerWaalsContact O-N 3.12Å
146	E	39.8	Very low	46.3	Very low	53 Å²	53	92 Å²	92	25%	0.248	45%	0.445	C	S	.	.	H	α-helix	trans	-55.7	-45.4	173.3	-175.4	-177.4	-163.8	0	0	112.3	S19 M142 A148 Y149 Q150	S19-E146 WeakPolarHBondContact CB-OE1 3.5Å; S19-E146 PolarHBondContact OG-OE1 2.89Å; M142-E146 PolarHBondContact O-N 3.31Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.49Å; E146-Y149 PolarHBondContact O-N 2.91Å; E146-Q150 PolarHBondContact O-N 3.27Å
147	R	46.3	Very low	46.2	Very low	175 Å²	175	91.6 Å²	91.6	66%	0.66	45%	0.446	S	S	*	.	H	α-helix	trans	-67.9	-31.1	178.3	-73.2	177.5	-177.6	-179.1	2	113.2	K143 K144 D145	K143-R147 WeakPolarHBondContact O-CG 3.44Å; K143-R147 PolarHBondContact O-N 3.28Å; K143-R147 VanDerWaalsContact O-N 3.08Å; K144-R147 PolarHBondContact O-N 3.17Å; D145-R147 VanDerWaalsContact C-N 3.35Å; D145-R147 PolarHBondContact O-N 3.09Å
148	A	47.7	Very low	45.7	Very low	59 Å²	59	91.6 Å²	91.6	49%	0.488	44%	0.443	S	S	.	.	H	α-helix	trans	-68.5	-41.8	176.6	0	0	0	0	0	111	K144 D145 E146 Q150 K151	K144-A148 PolarHBondContact O-N 3.38Å; D145-A148 WeakPolarHBondContact O-CB 3.5Å; D145-A148 PolarHBondContact O-N 3.1Å; D145-A148 VanDerWaalsContact O-N 3.13Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.49Å; A148-Q150 VanDerWaalsContact C-N 3.34Å; A148-Q150 PolarHBondContact O-N 2.96Å; A148-K151 PolarHBondContact O-N 2.78Å
149	Y	38.9	Very low	45.7	Very low	97 Å²	97	96.8 Å²	96.8	38%	0.38	46%	0.463	S	S	.	.	H	α-helix	trans	-68.5	-27.4	176	-80.1	-75.2	0	0	0	113.8	D80 D145 E146 K151	D80-Y149 PolarHBondContact OD2-OH 3Å; D80-Y149 VanDerWaalsContact OD2-OH 3.08Å; D145-Y149 VanDerWaalsContact O-CD2 3.26Å; D145-Y149 WeakPolarHBondContact O-CD2 3.42Å; D145-Y149 PolarHBondContact O-N 3.02Å; D145-Y149 VanDerWaalsContact O-N 3.12Å; E146-Y149 PolarHBondContact O-N 2.91Å; Y149-K151 PolarHBondContact O-N 3.42Å
150	Q	39.2	Very low	45.7	Very low	120 Å²	120	101.5 Å²	101.5	56%	0.561	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.4	174.7	-72.6	-178.9	6.1	0	0	114.3	E146 A148	E146-Q150 PolarHBondContact O-N 3.27Å; A148-Q150 VanDerWaalsContact C-N 3.34Å; A148-Q150 PolarHBondContact O-N 2.96Å
151	K	49.4	Very low	45.3	Very low	195 Å²	195	103.3 Å²	103.3	85%	0.848	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	0.2	-180	-75.5	-171.9	175.8	-174.5	0	114.3	A148 Y149	A148-K151 PolarHBondContact O-N 2.78Å; Y149-K151 PolarHBondContact O-N 3.42Å
152	V	41.5	Very low	44.8	Very low	178 Å²	178	104 Å²	104	100%	1.079	50%	0.498	S	S	*	.			trans	-107.2	0	174.5	-174.7	0	0	0	0	109.1

Retrieved 152 of 152 residues in 487.4 ms (Link to these results)

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