A0A077ZBL7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 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	38.1	Very low	53.6	Low	236 Å²	236	134.4 Å²	134.4	100%	1.163	66%	0.659	S	S	*	*				0	104.3	0	-66.4	-59.2	-180	0	0	107.7
2	P	46.1	Very low	54.2	Low	101 Å²	101	128.3 Å²	128.3	66%	0.656	65%	0.646	S	S	*	*				-153.5	118.3	102.3	34.6	-14	0	0	0	113.8
3	F	42.5	Very low	54.3	Low	210 Å²	210	128.4 Å²	128.4	92%	0.921	64%	0.643	S	S	*	*			trans	-109	68.4	144.4	-75.6	-75.3	0	0	0	107.6	L5	F3-L5 PolarHBondContact O-N 2.97Å
4	Y	52.2	Low	54.7	Low	214 Å²	214	125.1 Å²	125.1	84%	0.839	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	40.1	175	-139.9	-90.3	0	0	0	111
5	L	58.4	Low	55.2	Low	78 Å²	78	122.5 Å²	122.5	41%	0.408	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.9	-3.7	-172.9	-115.9	75.4	0	0	0	113.7	F3 G7 K8 Y9	F3-L5 PolarHBondContact O-N 2.97Å; L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.23Å; L5-K8 HydrophobicContact CD1-CD 4.25Å; L5-K8 VanDerWaalsContact CD1-CE 3.45Å; L5-K8 VanDerWaalsContact CD1-NZ 3.27Å; L5-K8 HydrophobicContact CG-CD 4.01Å; L5-K8 HydrophobicContact CG-CG 4.43Å; L5-Y9 HydrophobicContact CB-CE2 4.41Å; L5-Y9 HydrophobicContact CD2-CE2 3.72Å; L5-Y9 HydrophobicContact CG-CE2 3.89Å; L5-Y9 VanDerWaalsContact O-CD2 3.29Å; L5-Y9 WeakPolarHBondContact O-CD2 3.26Å
6	K	49.9	Very low	55.3	Low	149 Å²	149	120.3 Å²	120.3	65%	0.648	63%	0.627	S	S	*	*	H	α-helix	trans	-74.4	-19.8	179.7	-138.4	172.6	-173.5	177	0	113.5
7	G	62.2	Low	55.1	Low	53 Å²	53	118.1 Å²	118.1	55%	0.546	62%	0.616	S	S	.	*	H	α-helix	trans	-87.1	-30.8	-177.2	0	0	0	0	0	115.9	L5	L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.23Å
8	K	59	Low	54.7	Low	128 Å²	128	118 Å²	118	56%	0.557	62%	0.615	S	S	*	*	H	α-helix	trans	-78.4	-36	-172.6	63.2	177.5	84.1	174.4	0	113.3	L5	L5-K8 HydrophobicContact CD1-CD 4.25Å; L5-K8 VanDerWaalsContact CD1-CE 3.45Å; L5-K8 VanDerWaalsContact CD1-NZ 3.27Å; L5-K8 HydrophobicContact CG-CD 4.01Å; L5-K8 HydrophobicContact CG-CG 4.43Å
9	Y	56.2	Low	54.6	Low	148 Å²	148	116.6 Å²	116.6	58%	0.58	61%	0.614	S	S	*	*	H	α-helix	trans	-77.7	-27.7	175.8	-58.8	-77.2	0	0	0	112.5	L5 M11 A12 E13	L5-Y9 HydrophobicContact CB-CE2 4.41Å; L5-Y9 HydrophobicContact CD2-CE2 3.72Å; L5-Y9 HydrophobicContact CG-CE2 3.89Å; L5-Y9 VanDerWaalsContact O-CD2 3.29Å; L5-Y9 WeakPolarHBondContact O-CD2 3.26Å; Y9-M11 VanDerWaalsContact C-N 3.29Å; Y9-M11 PolarHBondContact O-N 2.88Å; Y9-A12 PolarHBondContact O-N 2.93Å; Y9-A12 VanDerWaalsContact O-N 3.13Å; Y9-E13 PolarHBondContact O-N 3.14Å
10	A	60.2	Low	54.2	Low	42 Å²	42	122.3 Å²	122.3	35%	0.347	63%	0.628	S	S	.	*	H	α-helix	trans	-60.1	-40.2	175.8	0	0	0	0	0	111.4	A12 E13 L14	A10-A12 VanDerWaalsContact C-N 3.35Å; A10-A12 PolarHBondContact O-N 3.25Å; A10-E13 PolarHBondContact O-N 3.49Å; A10-L14 WeakPolarHBondContact O-CB 3.41Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.15Å; A10-L14 PolarHBondContact O-N 2.77Å
11	M	65.3	Low	53.9	Low	119 Å²	119	119.1 Å²	119.1	59%	0.586	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-38.5	175.7	-70.9	-68.4	-81.7	0	0	112.2	Y9 E13 L14 V15	Y9-M11 VanDerWaalsContact C-N 3.29Å; Y9-M11 PolarHBondContact O-N 2.88Å; M11-E13 VanDerWaalsContact C-N 3.32Å; M11-E13 PolarHBondContact O-N 3.35Å; M11-L14 PolarHBondContact O-N 3.43Å; M11-L14 HydrophobicContact SD-CD1 4.11Å; M11-V15 VanDerWaalsContact O-CB 3.31Å; M11-V15 WeakPolarHBondContact O-CB 3.44Å; M11-V15 WeakPolarHBondContact O-CG2 3.29Å; M11-V15 PolarHBondContact O-N 3.21Å
12	A	60	Low	54.3	Low	61 Å²	61	118.9 Å²	118.9	50%	0.504	61%	0.607	S	S	.	*	H	α-helix	trans	-65.5	-37.4	177.3	0	0	0	0	0	111.6	Y9 A10 V15 A16	Y9-A12 PolarHBondContact O-N 2.93Å; Y9-A12 VanDerWaalsContact O-N 3.13Å; A10-A12 VanDerWaalsContact C-N 3.35Å; A10-A12 PolarHBondContact O-N 3.25Å; A12-V15 PolarHBondContact O-N 2.7Å; A12-A16 VanDerWaalsContact O-CB 3.24Å; A12-A16 WeakPolarHBondContact O-CB 3.45Å; A12-A16 PolarHBondContact O-N 3.42Å
13	E	56.4	Low	54.4	Low	130 Å²	130	117 Å²	117	61%	0.607	60%	0.595	S	S	*	*	H	α-helix	trans	-71.7	-39	174.9	-153.4	-178.9	-168.6	0	0	111.7	Y9 A10 M11 V15 A16 L17	Y9-E13 PolarHBondContact O-N 3.14Å; A10-E13 PolarHBondContact O-N 3.49Å; M11-E13 VanDerWaalsContact C-N 3.32Å; M11-E13 PolarHBondContact O-N 3.35Å; E13-V15 VanDerWaalsContact C-N 3.33Å; E13-V15 PolarHBondContact O-N 2.94Å; E13-A16 PolarHBondContact O-N 3.22Å; E13-L17 VanDerWaalsContact O-CB 3.3Å; E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 PolarHBondContact O-N 2.96Å
14	L	59.5	Low	54.8	Low	83 Å²	83	113.6 Å²	113.6	44%	0.435	59%	0.592	S	S	.	*	H	α-helix	trans	-61.6	-40.9	172	-72.1	174	0	0	0	111.7	A10 M11 L17 L18 L38	A10-L14 WeakPolarHBondContact O-CB 3.41Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.15Å; A10-L14 PolarHBondContact O-N 2.77Å; M11-L14 PolarHBondContact O-N 3.43Å; M11-L14 HydrophobicContact SD-CD1 4.11Å; L14-L17 CarbonylContact O-C 3.52Å; L14-L17 PolarHBondContact O-N 3.42Å; L14-L18 PolarHBondContact O-N 3.04Å; L14-L18 VanDerWaalsContact O-N 3.08Å; L14-L38 HydrophobicContact CD2-CD1 4.25Å
15	V	62.6	Low	54.9	Low	86 Å²	86	107.9 Å²	107.9	52%	0.521	58%	0.583	S	S	.	*	H	α-helix	trans	-73.8	-36	178.2	172.4	0	0	0	0	111.4	M11 A12 E13 L17 L18	M11-V15 VanDerWaalsContact O-CB 3.31Å; M11-V15 WeakPolarHBondContact O-CB 3.44Å; M11-V15 WeakPolarHBondContact O-CG2 3.29Å; M11-V15 PolarHBondContact O-N 3.21Å; A12-V15 PolarHBondContact O-N 2.7Å; E13-V15 VanDerWaalsContact C-N 3.33Å; E13-V15 PolarHBondContact O-N 2.94Å; V15-L17 PolarHBondContact O-N 3.42Å; V15-L18 HydrophobicContact CB-CD1 4.37Å; V15-L18 HydrophobicContact CG1-CD1 4.36Å; V15-L18 HydrophobicContact CG2-CD1 4.23Å; V15-L18 VanDerWaalsContact O-CB 3.28Å; V15-L18 WeakPolarHBondContact O-CB 3.26Å; V15-L18 PolarHBondContact O-N 3.15Å; V15-L18 VanDerWaalsContact O-N 3.09Å
16	A	55.8	Low	54.7	Low	86 Å²	86	109 Å²	109	71%	0.711	59%	0.585	S	S	*	*	H	α-helix	trans	-67	-28.1	171	0	0	0	0	0	111.9	A12 E13 L18	A12-A16 VanDerWaalsContact O-CB 3.24Å; A12-A16 WeakPolarHBondContact O-CB 3.45Å; A12-A16 PolarHBondContact O-N 3.42Å; E13-A16 PolarHBondContact O-N 3.22Å; A16-L18 VanDerWaalsContact C-N 3.31Å
17	L	52.9	Low	55.3	Low	84 Å²	84	105.4 Å²	105.4	44%	0.44	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82	-6.8	171.8	-152	78.3	0	0	0	113.2	E13 L14 V15 P19 L38	E13-L17 VanDerWaalsContact O-CB 3.3Å; E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 PolarHBondContact O-N 2.96Å; L14-L17 CarbonylContact O-C 3.52Å; L14-L17 PolarHBondContact O-N 3.42Å; V15-L17 PolarHBondContact O-N 3.42Å; L17-P19 WeakPolarHBondContact O-CD 3.37Å; L17-L38 HydrophobicContact CD2-CB 3.6Å; L17-L38 HydrophobicContact CD2-CD1 3.23Å; L17-L38 HydrophobicContact CD2-CD2 4.12Å; L17-L38 HydrophobicContact CD2-CG 3.77Å
18	L	47.1	Very low	55.9	Low	116 Å²	116	107.5 Å²	107.5	61%	0.607	59%	0.585	S	S	*	*	S	Bend	trans	-69.7	113	165.5	-65.4	170.5	0	0	0	106.8	L14 V15 A16 Y20	L14-L18 PolarHBondContact O-N 3.04Å; L14-L18 VanDerWaalsContact O-N 3.08Å; V15-L18 HydrophobicContact CB-CD1 4.37Å; V15-L18 HydrophobicContact CG1-CD1 4.36Å; V15-L18 HydrophobicContact CG2-CD1 4.23Å; V15-L18 VanDerWaalsContact O-CB 3.28Å; V15-L18 WeakPolarHBondContact O-CB 3.26Å; V15-L18 PolarHBondContact O-N 3.15Å; V15-L18 VanDerWaalsContact O-N 3.09Å; A16-L18 VanDerWaalsContact C-N 3.31Å; L18-Y20 PolarHBondContact O-N 3.43Å
19	P	53.1	Low	56.9	Low	91 Å²	91	105.5 Å²	105.5	59%	0.591	58%	0.578	S	S	*	*			trans	-63.6	113.9	177.6	26.5	-32.4	0	0	0	108.6	L17 A21	L17-P19 WeakPolarHBondContact O-CD 3.37Å; P19-A21 PolarHBondContact O-N 3.26Å
20	Y	47	Very low	58.2	Low	230 Å²	230	102.3 Å²	102.3	90%	0.902	57%	0.571	S	S	*	*			trans	-60.6	-7.8	162.4	-177.4	-101.7	0	0	0	112.1	L18 R22	L18-Y20 PolarHBondContact O-N 3.43Å; Y20-R22 PolarHBondContact O-N 3.47Å
21	A	48	Very low	59.5	Low	56 Å²	56	105.5 Å²	105.5	46%	0.463	58%	0.581	S	S	.	*			trans	-94.8	108.8	-175.2	0	0	0	0	0	111.4	P19 C23	P19-A21 PolarHBondContact O-N 3.26Å; A21-C23 PolarHBondContact O-N 3.13Å
22	R	45.9	Very low	60.5	Low	232 Å²	232	100.9 Å²	100.9	88%	0.875	56%	0.56	S	S	*	*			trans	-60.1	48.9	168.3	-59.9	161.7	55.9	176.8	-0.7	113.1	Y20 T24	Y20-R22 PolarHBondContact O-N 3.47Å; R22-T24 PolarHBondContact O-N 3.41Å
23	C	48.1	Very low	61.8	Low	60 Å²	60	100 Å²	100	41%	0.405	55%	0.548	S	S	.	.			trans	-77.5	81.8	173	-53.7	0	0	0	0	107.5	A21 S25 F26	A21-C23 PolarHBondContact O-N 3.13Å; C23-S25 PolarHBondContact O-N 3.09Å; C23-F26 HydrophobicContact CB-CD1 4.21Å; C23-F26 HydrophobicContact CB-CD2 3.96Å; C23-F26 HydrophobicContact CB-CE1 3.8Å; C23-F26 HydrophobicContact CB-CE2 3.54Å; C23-F26 HydrophobicContact CB-CG 4.29Å; C23-F26 HydrophobicContact CB-CZ 3.45Å; C23-F26 VanDerWaalsContact CB-CZ 3.45Å; C23-F26 WeakPolarHBondContact O-CD2 3.45Å; C23-F26 PolarHBondContact O-N 2.89Å
24	T	50.6	Low	63.3	Low	139 Å²	139	96.6 Å²	96.6	85%	0.853	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	26.1	173.3	50.8	0	0	0	0	112.8	R22	R22-T24 PolarHBondContact O-N 3.41Å
25	S	54.7	Low	64.6	Low	95 Å²	95	94.9 Å²	94.9	66%	0.664	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.7	29.2	-175.5	66.3	0	0	0	0	111.3	C23 S27	C23-S25 PolarHBondContact O-N 3.09Å; S25-S27 PolarHBondContact O-N 2.98Å
26	F	54.6	Low	65.9	Low	102 Å²	102	91 Å²	91	45%	0.447	52%	0.516	S	S	.	.			trans	-58.8	112.7	162.5	-68.6	-64.5	0	0	0	106	C23 D30	C23-F26 HydrophobicContact CB-CD1 4.21Å; C23-F26 HydrophobicContact CB-CD2 3.96Å; C23-F26 HydrophobicContact CB-CE1 3.8Å; C23-F26 HydrophobicContact CB-CE2 3.54Å; C23-F26 HydrophobicContact CB-CG 4.29Å; C23-F26 HydrophobicContact CB-CZ 3.45Å; C23-F26 VanDerWaalsContact CB-CZ 3.45Å; C23-F26 WeakPolarHBondContact O-CD2 3.45Å; C23-F26 PolarHBondContact O-N 2.89Å; F26-D30 HydrophobicContact CB-CB 4.15Å; F26-D30 HydrophobicContact CD1-CB 3.9Å; F26-D30 HydrophobicContact CG-CB 4.49Å
27	S	62.1	Low	67.5	Low	73 Å²	73	89 Å²	89	51%	0.51	50%	0.497	S	S	.	.			trans	-54.1	147.1	167.8	-67.2	0	0	0	0	106.7	S25 E29 D30 L31	S25-S27 PolarHBondContact O-N 2.98Å; S27-E29 CarbonylContact O-C 3.49Å; S27-E29 PolarHBondContact O-N 2.95Å; S27-D30 PolarHBondContact N-OD2 3.27Å; S27-D30 PolarHBondContact O-N 2.64Å; S27-L31 PolarHBondContact O-N 3.49Å
28	S	74.5	Confident	69.3	Low	96 Å²	96	87.9 Å²	87.9	67%	0.671	49%	0.491	S	S	*	.	H	α-helix	trans	-47.2	-32.8	179.5	-177.9	0	0	0	0	111.9	L31 V32	S28-L31 PolarHBondContact O-N 2.87Å; S28-V32 VanDerWaalsContact O-CG2 3.22Å; S28-V32 WeakPolarHBondContact O-CG2 3.41Å; S28-V32 PolarHBondContact O-N 3.03Å; S28-V32 VanDerWaalsContact O-N 3.09Å
29	E	80.6	Confident	71.3	Confident	87 Å²	87	84.5 Å²	84.5	41%	0.407	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-46.7	173.6	-50.6	-160.5	157.2	0	0	114.4	S27 L31 V32 V33 S73	S27-E29 CarbonylContact O-C 3.49Å; S27-E29 PolarHBondContact O-N 2.95Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.39Å; E29-V32 PolarHBondContact O-N 3.13Å; E29-V33 WeakPolarHBondContact O-CG2 3.06Å; E29-V33 PolarHBondContact O-N 3.28Å; E29-S73 WeakPolarHBondContact OE1-CB 3.48Å; E29-S73 WeakPolarHBondContact OE2-CB 3.49Å
30	D	83.7	Confident	73.1	Confident	81 Å²	81	84 Å²	84	43%	0.433	46%	0.46	S	S	.	.	H	α-helix	trans	-66.8	-36.8	-178.9	-63.4	-48.3	0	0	0	111.3	F26 S27 V32 V33 A34	F26-D30 HydrophobicContact CB-CB 4.15Å; F26-D30 HydrophobicContact CD1-CB 3.9Å; F26-D30 HydrophobicContact CG-CB 4.49Å; S27-D30 PolarHBondContact N-OD2 3.27Å; S27-D30 PolarHBondContact O-N 2.64Å; D30-V32 VanDerWaalsContact C-N 3.35Å; D30-V33 PolarHBondContact O-N 2.85Å; D30-A34 WeakPolarHBondContact O-CB 3.29Å; D30-A34 PolarHBondContact O-N 3.36Å
31	L	87.4	Confident	75.1	Confident	108 Å²	108	74.9 Å²	74.9	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-63.5	-42.6	174.1	-176.5	150.1	0	0	0	111	S27 S28 E29 V33 A34 A35	S27-L31 PolarHBondContact O-N 3.49Å; S28-L31 PolarHBondContact O-N 2.87Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.39Å; L31-V33 VanDerWaalsContact C-N 3.35Å; L31-A34 PolarHBondContact O-N 3.32Å; L31-A35 WeakPolarHBondContact O-CB 3.43Å; L31-A35 PolarHBondContact O-N 2.82Å
32	V	86.1	Confident	76.9	Confident	23 Å²	23	74 Å²	74	14%	0.139	42%	0.421	C	S	.	.	H	α-helix	trans	-64.1	-41.5	175.9	175.1	0	0	0	0	110.6	S28 E29 D30 A35 L36 L65 Y72 V76	S28-V32 VanDerWaalsContact O-CG2 3.22Å; S28-V32 WeakPolarHBondContact O-CG2 3.41Å; S28-V32 PolarHBondContact O-N 3.03Å; S28-V32 VanDerWaalsContact O-N 3.09Å; E29-V32 PolarHBondContact O-N 3.13Å; D30-V32 VanDerWaalsContact C-N 3.35Å; V32-A35 PolarHBondContact O-N 3.47Å; V32-L36 HydrophobicContact CG1-CD1 4.05Å; V32-L36 HydrophobicContact CG1-CG 4.42Å; V32-L36 WeakPolarHBondContact O-CB 3.45Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.27Å; V32-L36 PolarHBondContact O-N 3.38Å; V32-L65 HydrophobicContact CG1-CD2 4.25Å; V32-Y72 HydrophobicContact CG1-CE1 4.46Å; V32-Y72 HydrophobicContact CG2-CE1 4.08Å; V32-V76 HydrophobicContact CG1-CG1 3.58Å; V32-V76 HydrophobicContact CG1-CG2 4.42Å
33	V	87.5	Confident	78.8	Confident	42 Å²	42	63 Å²	63	26%	0.255	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-44	174.6	174.3	0	0	0	0	111.2	E29 D30 L31 A35 L36 S37 V76	E29-V33 WeakPolarHBondContact O-CG2 3.06Å; E29-V33 PolarHBondContact O-N 3.28Å; D30-V33 PolarHBondContact O-N 2.85Å; L31-V33 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 3.13Å; V33-L36 PolarHBondContact O-N 2.84Å; V33-S37 VanDerWaalsContact O-CB 3.32Å; V33-S37 WeakPolarHBondContact O-CB 3.47Å; V33-S37 PolarHBondContact O-N 3.31Å; V33-V76 HydrophobicContact CG2-CG2 3.94Å
34	A	87	Confident	80.6	Confident	59 Å²	59	62.9 Å²	62.9	49%	0.488	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-42.8	177.1	0	0	0	0	0	111.8	D30 L31 S37 L38	D30-A34 WeakPolarHBondContact O-CB 3.29Å; D30-A34 PolarHBondContact O-N 3.36Å; L31-A34 PolarHBondContact O-N 3.32Å; A34-S37 WeakPolarHBondContact O-CB 3.41Å; A34-S37 PolarHBondContact O-N 3.03Å; A34-L38 PolarHBondContact O-N 3.35Å
35	A	87.4	Confident	82.2	Confident	46 Å²	46	60.5 Å²	60.5	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-44.7	175	0	0	0	0	0	111.9	L31 V32 V33 S37 L38 I39	L31-A35 WeakPolarHBondContact O-CB 3.43Å; L31-A35 PolarHBondContact O-N 2.82Å; V32-A35 PolarHBondContact O-N 3.47Å; V33-A35 PolarHBondContact O-N 3.13Å; A35-S37 VanDerWaalsContact C-N 3.28Å; A35-S37 PolarHBondContact O-N 3.19Å; A35-L38 PolarHBondContact O-N 3.42Å; A35-I39 VanDerWaalsContact O-CG1 3.27Å; A35-I39 WeakPolarHBondContact O-CG1 3.43Å; A35-I39 PolarHBondContact O-N 3.29Å
36	L	89.2	Confident	83.6	Confident	5 Å²	5	57 Å²	57	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-33.1	175.3	-68.2	169.9	0	0	0	112.1	V32 V33 I39 Y40 L62 L65 V76 Y79 A80 V83	V32-L36 HydrophobicContact CG1-CD1 4.05Å; V32-L36 HydrophobicContact CG1-CG 4.42Å; V32-L36 WeakPolarHBondContact O-CB 3.45Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.27Å; V32-L36 PolarHBondContact O-N 3.38Å; V33-L36 PolarHBondContact O-N 2.84Å; L36-I39 PolarHBondContact O-N 2.92Å; L36-Y40 WeakPolarHBondContact O-CB 3.44Å; L36-Y40 PolarHBondContact O-N 3.42Å; L36-L62 HydrophobicContact CD2-CD2 3.47Å; L36-L62 VanDerWaalsContact CD2-CD2 3.47Å; L36-L65 HydrophobicContact CD1-CD2 4.13Å; L36-L65 HydrophobicContact CD2-CD2 4.08Å; L36-L65 HydrophobicContact CG-CD2 4.5Å; L36-V76 HydrophobicContact CD1-CG1 3.93Å; L36-Y79 HydrophobicContact CB-CD1 3.51Å; L36-Y79 HydrophobicContact CB-CE1 3.84Å; L36-Y79 HydrophobicContact CD1-CD1 4.24Å; L36-A80 HydrophobicContact CD1-CB 4.27Å; L36-V83 HydrophobicContact CB-CG2 4.33Å; L36-V83 HydrophobicContact CD2-CG2 4.4Å
37	S	89.7	Confident	85.1	Confident	45 Å²	45	53.4 Å²	53.4	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-46.1	176.5	-177.8	0	0	0	0	111	V33 A34 A35 I39 Y40 A41 Y79	V33-S37 VanDerWaalsContact O-CB 3.32Å; V33-S37 WeakPolarHBondContact O-CB 3.47Å; V33-S37 PolarHBondContact O-N 3.31Å; A34-S37 WeakPolarHBondContact O-CB 3.41Å; A34-S37 PolarHBondContact O-N 3.03Å; A35-S37 VanDerWaalsContact C-N 3.28Å; A35-S37 PolarHBondContact O-N 3.19Å; S37-I39 VanDerWaalsContact C-N 3.32Å; S37-I39 PolarHBondContact O-N 3.08Å; S37-Y40 WeakPolarHBondContact O-CB 3.38Å; S37-Y40 PolarHBondContact O-N 3.08Å; S37-A41 PolarHBondContact O-N 3.46Å; S37-Y79 WeakPolarHBondContact CA-OH 3.35Å; S37-Y79 VanDerWaalsContact CB-OH 3.3Å; S37-Y79 WeakPolarHBondContact CB-OH 3.32Å; S37-Y79 PolarHBondContact OG-OH 3.33Å
38	L	91.6	Very high	86.2	Confident	60 Å²	60	55.2 Å²	55.2	31%	0.314	34%	0.337	S	S	.	.	H	α-helix	trans	-56.6	-48.2	171.5	171.8	55.3	0	0	0	111	L14 L17 A34 A35 Y40 A41 T42	L14-L38 HydrophobicContact CD2-CD1 4.25Å; L17-L38 HydrophobicContact CD2-CB 3.6Å; L17-L38 HydrophobicContact CD2-CD1 3.23Å; L17-L38 HydrophobicContact CD2-CD2 4.12Å; L17-L38 HydrophobicContact CD2-CG 3.77Å; A34-L38 PolarHBondContact O-N 3.35Å; A35-L38 PolarHBondContact O-N 3.42Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.22Å; L38-A41 PolarHBondContact O-N 3.3Å; L38-T42 HydrophobicContact CD1-CG2 3.79Å; L38-T42 WeakPolarHBondContact O-CG2 3.5Å; L38-T42 PolarHBondContact O-N 3.31Å; L38-T42 PolarHBondContact O-OG1 3.48Å
39	I	89.1	Confident	86.6	Confident	45 Å²	45	54.4 Å²	54.4	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-41	178.7	-68	166.9	0	0	0	111.4	A35 L36 S37 T42 T43 F49 M53 V83	A35-I39 VanDerWaalsContact O-CG1 3.27Å; A35-I39 WeakPolarHBondContact O-CG1 3.43Å; A35-I39 PolarHBondContact O-N 3.29Å; L36-I39 PolarHBondContact O-N 2.92Å; S37-I39 VanDerWaalsContact C-N 3.32Å; S37-I39 PolarHBondContact O-N 3.08Å; I39-T42 PolarHBondContact O-OG1 2.93Å; I39-T43 WeakPolarHBondContact O-CB 3.46Å; I39-T43 PolarHBondContact O-N 3.08Å; I39-T43 PolarHBondContact O-OG1 3.21Å; I39-F49 HydrophobicContact CG2-CE1 4.49Å; I39-M53 HydrophobicContact CG2-CE 3.3Å; I39-M53 HydrophobicContact CG2-SD 4.29Å; I39-V83 HydrophobicContact CG2-CG1 3.63Å
40	Y	89.9	Confident	86.9	Confident	80 Å²	80	50.3 Å²	50.3	31%	0.314	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-45.6	176.8	179	-98.4	0	0	0	111.6	L36 S37 L38 S44 Q82 A86	L36-Y40 WeakPolarHBondContact O-CB 3.44Å; L36-Y40 PolarHBondContact O-N 3.42Å; S37-Y40 WeakPolarHBondContact O-CB 3.38Å; S37-Y40 PolarHBondContact O-N 3.08Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.22Å; Y40-S44 VanDerWaalsContact O-CB 3.23Å; Y40-S44 WeakPolarHBondContact O-CB 3.31Å; Y40-S44 PolarHBondContact O-N 3.29Å; Y40-S44 PolarHBondContact O-OG 3.15Å; Y40-Q82 HydrophobicContact CD2-CG 4.19Å; Y40-Q82 HydrophobicContact CE2-CG 3.83Å; Y40-A86 HydrophobicContact CD2-CB 3.81Å; Y40-A86 HydrophobicContact CE2-CB 3.64Å
41	A	88.9	Confident	86.9	Confident	38 Å²	38	50.5 Å²	50.5	31%	0.314	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-45.6	179.7	0	0	0	0	0	111.7	S37 L38 S44 S45	S37-A41 PolarHBondContact O-N 3.46Å; L38-A41 PolarHBondContact O-N 3.3Å; A41-S44 PolarHBondContact O-OG 2.87Å; A41-S44 VanDerWaalsContact O-OG 3.11Å; A41-S45 WeakPolarHBondContact O-CB 3.42Å; A41-S45 PolarHBondContact O-N 3.4Å; A41-S45 VanDerWaalsContact O-N 3.14Å
42	T	87.4	Confident	86.9	Confident	39 Å²	39	47.3 Å²	47.3	24%	0.239	29%	0.288	C	S	.	.	H	α-helix	trans	-70.3	-36.8	-179.8	56.7	0	0	0	0	112.5	L38 I39 S46 F49	L38-T42 HydrophobicContact CD1-CG2 3.79Å; L38-T42 WeakPolarHBondContact O-CG2 3.5Å; L38-T42 PolarHBondContact O-N 3.31Å; L38-T42 PolarHBondContact O-OG1 3.48Å; I39-T42 PolarHBondContact O-OG1 2.93Å; T42-S46 PolarHBondContact O-N 3.07Å; T42-F49 VanDerWaalsContact OG1-CD1 3.27Å; T42-F49 WeakPolarHBondContact OG1-CD1 3.31Å; T42-F49 WeakPolarHBondContact OG1-CE1 3.44Å; T42-F49 VanDerWaalsContact OG1-CZ 3.29Å; T42-F49 WeakPolarHBondContact OG1-CZ 3.23Å
43	T	85.6	Confident	86.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-71.1	-45.6	177.5	-55.3	0	0	0	0	110.6	I39 S45 S46 F49 A50 M53 V87 H90	I39-T43 WeakPolarHBondContact O-CB 3.46Å; I39-T43 PolarHBondContact O-N 3.08Å; I39-T43 PolarHBondContact O-OG1 3.21Å; T43-S45 VanDerWaalsContact C-N 3.29Å; T43-S45 PolarHBondContact O-N 3.47Å; T43-S46 CarbonylContact O-C 3.58Å; T43-S46 PolarHBondContact O-N 3.47Å; T43-F49 WeakPolarHBondContact OG1-CD1 3.42Å; T43-A50 HydrophobicContact CG2-CB 3.84Å; T43-M53 WeakPolarHBondContact OG1-CE 3.24Å; T43-V87 HydrophobicContact CG2-CB 4.31Å; T43-V87 HydrophobicContact CG2-CG2 3.52Å; T43-H90 PolarHBondContact O-CE1 2.84Å; T43-H90 PolarHBondContact O-NE2 3.32Å
44	S	84.7	Confident	86.7	Confident	58 Å²	58	46.4 Å²	46.4	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-65.2	-33.3	-179	58.5	0	0	0	0	112.7	Y40 A41	Y40-S44 VanDerWaalsContact O-CB 3.23Å; Y40-S44 WeakPolarHBondContact O-CB 3.31Å; Y40-S44 PolarHBondContact O-N 3.29Å; Y40-S44 PolarHBondContact O-OG 3.15Å; A41-S44 PolarHBondContact O-OG 2.87Å; A41-S44 VanDerWaalsContact O-OG 3.11Å
45	S	85.6	Confident	86.7	Confident	88 Å²	88	48.4 Å²	48.4	62%	0.615	28%	0.283	S	S	*	.	H	α-helix	trans	-76.1	-28.5	176.6	-175	0	0	0	0	113.8	A41 T43	A41-S45 WeakPolarHBondContact O-CB 3.42Å; A41-S45 PolarHBondContact O-N 3.4Å; A41-S45 VanDerWaalsContact O-N 3.14Å; T43-S45 VanDerWaalsContact C-N 3.29Å; T43-S45 PolarHBondContact O-N 3.47Å
46	S	83.8	Confident	86.8	Confident	22 Å²	22	56.7 Å²	56.7	15%	0.154	30%	0.304	C	S	.	.			trans	-142	118.8	-171.5	179.5	0	0	0	0	113.7	T42 T43 D48 F49 A50	T42-S46 PolarHBondContact O-N 3.07Å; T43-S46 CarbonylContact O-C 3.58Å; T43-S46 PolarHBondContact O-N 3.47Å; S46-D48 VanDerWaalsContact C-N 3.29Å; S46-D48 PolarHBondContact O-N 2.81Å; S46-D48 WeakPolarHBondContact OG-CB 3.15Å; S46-D48 PolarHBondContact OG-N 3.08Å; S46-F49 PolarHBondContact O-N 3.04Å; S46-F49 PolarHBondContact OG-N 3.09Å; S46-A50 PolarHBondContact O-N 2.85Å
47	A	84.8	Confident	86.5	Confident	27 Å²	27	57.8 Å²	57.8	22%	0.223	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-36.2	166.6	0	0	0	0	0	111.6	F49 A50 K51 H90 L93	A47-F49 PolarHBondContact O-N 2.99Å; A47-A50 WeakPolarHBondContact O-CB 3.34Å; A47-A50 PolarHBondContact O-N 3.36Å; A47-A50 VanDerWaalsContact O-N 3.08Å; A47-K51 PolarHBondContact O-N 3.48Å; A47-H90 HydrophobicContact CB-CB 4.45Å; A47-L93 HydrophobicContact CB-CD1 4.3Å; A47-L93 VanDerWaalsContact O-CD1 3.31Å; A47-L93 WeakPolarHBondContact O-CD1 3.39Å
48	D	86.9	Confident	86.3	Confident	111 Å²	111	56.4 Å²	56.4	59%	0.594	31%	0.31	S	S	*	.	H	α-helix	trans	-57.6	-37.9	176.8	-54.8	-55.5	0	0	0	112.3	S46 K51 A52	S46-D48 VanDerWaalsContact C-N 3.29Å; S46-D48 PolarHBondContact O-N 2.81Å; S46-D48 WeakPolarHBondContact OG-CB 3.15Å; S46-D48 PolarHBondContact OG-N 3.08Å; D48-K51 PolarHBondContact O-N 3.32Å; D48-A52 WeakPolarHBondContact O-CB 3.47Å; D48-A52 PolarHBondContact O-N 2.81Å
49	F	82.9	Confident	86	Confident	79 Å²	79	53.6 Å²	53.6	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-67.9	-42.4	176	-173.8	-97.3	0	0	0	112	I39 T42 T43 S46 A47 K51 A52 M53	I39-F49 HydrophobicContact CG2-CE1 4.49Å; T42-F49 VanDerWaalsContact OG1-CD1 3.27Å; T42-F49 WeakPolarHBondContact OG1-CD1 3.31Å; T42-F49 WeakPolarHBondContact OG1-CE1 3.44Å; T42-F49 VanDerWaalsContact OG1-CZ 3.29Å; T42-F49 WeakPolarHBondContact OG1-CZ 3.23Å; T43-F49 WeakPolarHBondContact OG1-CD1 3.42Å; S46-F49 PolarHBondContact O-N 3.04Å; S46-F49 PolarHBondContact OG-N 3.09Å; A47-F49 PolarHBondContact O-N 2.99Å; F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 3.35Å; F49-A52 PolarHBondContact O-N 2.93Å; F49-M53 HydrophobicContact CD1-CE 3.94Å; F49-M53 HydrophobicContact CE1-CE 3.38Å; F49-M53 HydrophobicContact CZ-CE 4.29Å; F49-M53 WeakPolarHBondContact O-CB 3.49Å; F49-M53 PolarHBondContact O-N 3.14Å
50	A	85.2	Confident	85.8	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-41.5	174.6	0	0	0	0	0	111.4	T43 S46 A47 M53 H54 L93	T43-A50 HydrophobicContact CG2-CB 3.84Å; S46-A50 PolarHBondContact O-N 2.85Å; A47-A50 WeakPolarHBondContact O-CB 3.34Å; A47-A50 PolarHBondContact O-N 3.36Å; A47-A50 VanDerWaalsContact O-N 3.08Å; A50-M53 PolarHBondContact O-N 2.99Å; A50-H54 PolarHBondContact O-N 3.39Å; A50-L93 HydrophobicContact CB-CD1 3.43Å; A50-L93 VanDerWaalsContact CB-CD1 3.43Å
51	K	85.1	Confident	85.7	Confident	86 Å²	86	59.5 Å²	59.5	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-49.1	173.7	-166.3	-175.8	177	-65.7	0	112	A47 D48 F49 M53 H54 D55 L93	A47-K51 PolarHBondContact O-N 3.48Å; D48-K51 PolarHBondContact O-N 3.32Å; F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 3.35Å; K51-M53 VanDerWaalsContact C-N 3.25Å; K51-M53 PolarHBondContact O-N 3.24Å; K51-H54 WeakPolarHBondContact O-CB 3.27Å; K51-H54 PolarHBondContact O-N 2.64Å; K51-H54 VanDerWaalsContact O-N 3.13Å; K51-D55 IonicContact NZ-OD1 3.97Å; K51-D55 IonicContact NZ-OD2 2.64Å; K51-D55 PolarHBondContact NZ-OD2 3.08Å; K51-D55 PolarHBondContact O-N 2.88Å; K51-L93 HydrophobicContact CB-CD1 4.27Å; K51-L93 HydrophobicContact CB-CD2 3.7Å; K51-L93 HydrophobicContact CD-CD2 4.28Å; K51-L93 HydrophobicContact CG-CD2 3.88Å
52	A	87.2	Confident	85.6	Confident	40 Å²	40	58.3 Å²	58.3	33%	0.331	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-33.8	179.1	0	0	0	0	0	112.4	D48 F49 R56	D48-A52 WeakPolarHBondContact O-CB 3.47Å; D48-A52 PolarHBondContact O-N 2.81Å; F49-A52 PolarHBondContact O-N 2.93Å; A52-R56 WeakPolarHBondContact O-CB 2.89Å; A52-R56 VanDerWaalsContact O-CG 3.26Å; A52-R56 WeakPolarHBondContact O-CG 3.47Å; A52-R56 PolarHBondContact O-N 3.17Å
53	M	85.2	Confident	85.5	Confident	22 Å²	22	57.2 Å²	57.2	11%	0.108	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-39.6	174.6	-171.4	-167.3	-53.3	0	0	111.8	I39 T43 F49 A50 K51 R56 G57 G58 I59 L62	I39-M53 HydrophobicContact CG2-CE 3.3Å; I39-M53 HydrophobicContact CG2-SD 4.29Å; T43-M53 WeakPolarHBondContact OG1-CE 3.24Å; F49-M53 HydrophobicContact CD1-CE 3.94Å; F49-M53 HydrophobicContact CE1-CE 3.38Å; F49-M53 HydrophobicContact CZ-CE 4.29Å; F49-M53 WeakPolarHBondContact O-CB 3.49Å; F49-M53 PolarHBondContact O-N 3.14Å; A50-M53 PolarHBondContact O-N 2.99Å; K51-M53 VanDerWaalsContact C-N 3.25Å; K51-M53 PolarHBondContact O-N 3.24Å; M53-R56 PolarHBondContact O-N 3.14Å; M53-G57 PolarHBondContact O-N 2.77Å; M53-G58 WeakPolarHBondContact O-CA 3.43Å; M53-G58 PolarHBondContact O-N 2.7Å; M53-I59 HydrophobicContact CG-CD1 4.33Å; M53-I59 HydrophobicContact SD-CD1 3.73Å; M53-L62 HydrophobicContact SD-CD1 3.66Å
54	H	83.7	Confident	85.5	Confident	25 Å²	25	64.7 Å²	64.7	12%	0.116	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-48.7	174.2	177.4	-104	0	0	0	112.4	A50 K51 R56 G57 I59 F97 S100 F102	A50-H54 PolarHBondContact O-N 3.39Å; K51-H54 WeakPolarHBondContact O-CB 3.27Å; K51-H54 PolarHBondContact O-N 2.64Å; K51-H54 VanDerWaalsContact O-N 3.13Å; H54-R56 PolarHBondContact O-N 3.38Å; H54-R56 VanDerWaalsContact O-N 3.14Å; H54-G57 PolarHBondContact O-N 2.86Å; H54-I59 HydrophobicContact CB-CG1 4.25Å; H54-F97 HydrophobicContact CB-CE1 3.66Å; H54-F97 HydrophobicContact CB-CZ 4.4Å; H54-F97 AromaticContact CD2-CD1 3.38Å; H54-F97 WeakPolarHBondContact CD2-CD1 3.48Å; H54-F97 AromaticContact CD2-CE1 3.35Å; H54-F97 WeakPolarHBondContact CD2-CE1 3.32Å; H54-F97 AromaticContact CG-CD1 3.92Å; H54-F97 AromaticContact CG-CE1 3.54Å; H54-F97 AromaticContact NE2-CD1 3.74Å; H54-S100 PolarHBondContact CE1-OG 3.08Å; H54-S100 PolarHBondContact NE2-OG 2.85Å; H54-F102 AromaticContact CD2-CE2 3.72Å; H54-F102 AromaticContact NE2-CD2 3.64Å; H54-F102 AromaticContact NE2-CE2 3.41Å; H54-F102 WeakPolarHBondContact NE2-CE2 3.48Å
55	D	87.3	Confident	85.4	Confident	100 Å²	100	63 Å²	63	54%	0.535	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-29.6	179	-70.2	-26.5	0	0	0	111.5	K51	K51-D55 IonicContact NZ-OD1 3.97Å; K51-D55 IonicContact NZ-OD2 2.64Å; K51-D55 PolarHBondContact NZ-OD2 3.08Å; K51-D55 PolarHBondContact O-N 2.88Å
56	R	88.6	Confident	85.2	Confident	220 Å²	220	59.5 Å²	59.5	83%	0.83	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.4	175.8	-68.1	175	-175.3	-102	1.6	114.4	A52 M53 H54 G58	A52-R56 WeakPolarHBondContact O-CB 2.89Å; A52-R56 VanDerWaalsContact O-CG 3.26Å; A52-R56 WeakPolarHBondContact O-CG 3.47Å; A52-R56 PolarHBondContact O-N 3.17Å; M53-R56 PolarHBondContact O-N 3.14Å; H54-R56 PolarHBondContact O-N 3.38Å; H54-R56 VanDerWaalsContact O-N 3.14Å; R56-G58 VanDerWaalsContact C-N 3.34Å; R56-G58 PolarHBondContact O-N 3.11Å
57	G	83.4	Confident	85	Confident	28 Å²	28	65.3 Å²	65.3	29%	0.289	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	28.4	-176.9	0	0	0	0	0	114	M53 H54 P60	M53-G57 PolarHBondContact O-N 2.77Å; H54-G57 PolarHBondContact O-N 2.86Å; G57-P60 WeakPolarHBondContact O-CD 3.16Å
58	G	85.2	Confident	84.5	Confident	17 Å²	17	64.7 Å²	64.7	18%	0.175	31%	0.313	C	S	.	.	H	α-helix	trans	-71.3	-32	176.5	0	0	0	0	0	113.4	M53 R56 R61 L62	M53-G58 WeakPolarHBondContact O-CA 3.43Å; M53-G58 PolarHBondContact O-N 2.7Å; R56-G58 VanDerWaalsContact C-N 3.34Å; R56-G58 PolarHBondContact O-N 3.11Å; G58-R61 WeakPolarHBondContact O-CB 3.23Å; G58-R61 PolarHBondContact O-N 3.42Å; G58-R61 VanDerWaalsContact O-N 3.15Å; G58-L62 PolarHBondContact O-N 3.35Å
59	I	86.1	Confident	83.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-50.2	-179.3	-56.1	-57.3	0	0	0	112.5	M53 H54 R61 L62 I63 L84 V87 F97 F107	M53-I59 HydrophobicContact CG-CD1 4.33Å; M53-I59 HydrophobicContact SD-CD1 3.73Å; H54-I59 HydrophobicContact CB-CG1 4.25Å; I59-R61 PolarHBondContact O-N 3.5Å; I59-L62 HydrophobicContact CD1-CD1 4.48Å; I59-L62 WeakPolarHBondContact O-CB 3.4Å; I59-L62 PolarHBondContact O-N 3.31Å; I59-L62 VanDerWaalsContact O-N 3.09Å; I59-I63 HydrophobicContact CG2-CD1 3.92Å; I59-I63 WeakPolarHBondContact O-CG1 3.43Å; I59-I63 PolarHBondContact O-N 3.45Å; I59-L84 HydrophobicContact CG2-CD2 4.15Å; I59-V87 HydrophobicContact CD1-CB 4.4Å; I59-V87 HydrophobicContact CD1-CG1 3.83Å; I59-V87 HydrophobicContact CD1-CG2 3.87Å; I59-F97 HydrophobicContact CG1-CE1 4.24Å; I59-F107 HydrophobicContact CG2-CD1 4.42Å; I59-F107 HydrophobicContact CG2-CE1 3.47Å; I59-F107 VanDerWaalsContact CG2-CE1 3.47Å; I59-F107 HydrophobicContact CG2-CZ 3.88Å
60	P	84.9	Confident	83.3	Confident	55 Å²	55	68.2 Å²	68.2	36%	0.357	33%	0.333	S	S	.	.	H	α-helix	trans	-53.6	-37.3	172.4	-28.5	33	0	0	0	114.1	G57 I63 F64 F102	G57-P60 WeakPolarHBondContact O-CD 3.16Å; P60-I63 PolarHBondContact O-N 3.03Å; P60-F64 WeakPolarHBondContact O-CB 3.32Å; P60-F64 PolarHBondContact O-N 3.14Å; P60-F102 HydrophobicContact CG-CE1 3.96Å; P60-F102 HydrophobicContact CG-CZ 3.67Å
61	R	87	Confident	82.8	Confident	194 Å²	194	72.5 Å²	72.5	73%	0.732	36%	0.363	S	S	*	.	H	α-helix	trans	-68.9	-38.6	179.4	-65.1	178.1	176.6	-97.1	0.6	111.4	G58 I59 F64 L65	G58-R61 WeakPolarHBondContact O-CB 3.23Å; G58-R61 PolarHBondContact O-N 3.42Å; G58-R61 VanDerWaalsContact O-N 3.15Å; I59-R61 PolarHBondContact O-N 3.5Å; R61-F64 PolarHBondContact O-N 3.35Å; R61-L65 WeakPolarHBondContact O-CB 2.86Å; R61-L65 PolarHBondContact O-N 3.44Å
62	L	86.6	Confident	82.4	Confident	13 Å²	13	72.3 Å²	72.3	7%	0.068	36%	0.36	C	S	.	.	H	α-helix	trans	-66.2	-39.4	173.7	-71.8	173.9	0	0	0	112.2	L36 M53 G58 I59 L65 S66 V83 L84	L36-L62 HydrophobicContact CD2-CD2 3.47Å; L36-L62 VanDerWaalsContact CD2-CD2 3.47Å; M53-L62 HydrophobicContact SD-CD1 3.66Å; G58-L62 PolarHBondContact O-N 3.35Å; I59-L62 HydrophobicContact CD1-CD1 4.48Å; I59-L62 WeakPolarHBondContact O-CB 3.4Å; I59-L62 PolarHBondContact O-N 3.31Å; I59-L62 VanDerWaalsContact O-N 3.09Å; L62-L65 PolarHBondContact O-N 3.09Å; L62-S66 WeakPolarHBondContact O-CB 3.47Å; L62-S66 PolarHBondContact O-N 3.2Å; L62-V83 HydrophobicContact CD1-CG1 3.73Å; L62-L84 HydrophobicContact CB-CD2 3.97Å; L62-L84 HydrophobicContact CB-CG 4.36Å
63	I	85.6	Confident	82.2	Confident	16 Å²	16	72.1 Å²	72.1	8%	0.082	36%	0.357	C	S	.	.	H	α-helix	trans	-66.2	-43.4	175	-64.6	161.3	0	0	0	110.6	I59 P60 L65 S66 K67 L84 E106	I59-I63 HydrophobicContact CG2-CD1 3.92Å; I59-I63 WeakPolarHBondContact O-CG1 3.43Å; I59-I63 PolarHBondContact O-N 3.45Å; P60-I63 PolarHBondContact O-N 3.03Å; I63-L65 VanDerWaalsContact C-N 3.29Å; I63-L65 PolarHBondContact O-N 3.02Å; I63-S66 PolarHBondContact O-N 2.76Å; I63-S66 PolarHBondContact O-OG 2.92Å; I63-K67 HydrophobicContact CG2-CD 3.92Å; I63-K67 WeakPolarHBondContact O-CB 3.35Å; I63-K67 WeakPolarHBondContact O-CG 3Å; I63-K67 PolarHBondContact O-N 3.42Å; I63-L84 HydrophobicContact CG1-CD1 3.86Å; I63-L84 HydrophobicContact CG1-CD2 3.87Å; I63-E106 HydrophobicContact CD1-CB 3.94Å
64	F	85	Confident	82.1	Confident	157 Å²	157	74.3 Å²	74.3	69%	0.689	37%	0.374	S	S	*	.	H	α-helix	trans	-59.4	-43.4	174.3	-179.3	-97.7	0	0	0	111.2	P60 R61 K67 A68	P60-F64 WeakPolarHBondContact O-CB 3.32Å; P60-F64 PolarHBondContact O-N 3.14Å; R61-F64 PolarHBondContact O-N 3.35Å; F64-K67 PolarHBondContact O-N 3.45Å; F64-A68 WeakPolarHBondContact O-CB 3.3Å; F64-A68 PolarHBondContact O-N 3.31Å
65	L	82.8	Confident	82.1	Confident	24 Å²	24	81 Å²	81	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-63.6	-40.6	176.7	-176.5	63.9	0	0	0	112.5	V32 L36 R61 L62 I63 K67 A68 Y72 V76	V32-L65 HydrophobicContact CG1-CD2 4.25Å; L36-L65 HydrophobicContact CD1-CD2 4.13Å; L36-L65 HydrophobicContact CD2-CD2 4.08Å; L36-L65 HydrophobicContact CG-CD2 4.5Å; R61-L65 WeakPolarHBondContact O-CB 2.86Å; R61-L65 PolarHBondContact O-N 3.44Å; L62-L65 PolarHBondContact O-N 3.09Å; I63-L65 VanDerWaalsContact C-N 3.29Å; I63-L65 PolarHBondContact O-N 3.02Å; L65-K67 VanDerWaalsContact C-N 3.28Å; L65-K67 PolarHBondContact O-N 3.01Å; L65-A68 WeakPolarHBondContact O-CB 3.38Å; L65-A68 PolarHBondContact O-N 3.38Å; L65-Y72 HydrophobicContact CD1-CD1 4Å; L65-Y72 HydrophobicContact CD1-CD2 3.37Å; L65-Y72 HydrophobicContact CD1-CE1 3.85Å; L65-Y72 HydrophobicContact CD1-CE2 3.2Å; L65-Y72 HydrophobicContact CD1-CG 3.77Å; L65-Y72 VanDerWaalsContact CD1-CZ 3.45Å; L65-V76 HydrophobicContact CD1-CG1 4.32Å; L65-V76 HydrophobicContact CD2-CG1 4.31Å; L65-V76 HydrophobicContact CG-CG1 4.29Å
66	S	81.8	Confident	82.1	Confident	13 Å²	13	76.3 Å²	76.3	9%	0.091	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-27.6	178.8	76.6	0	0	0	0	112.7	L62 I63 R77	L62-S66 WeakPolarHBondContact O-CB 3.47Å; L62-S66 PolarHBondContact O-N 3.2Å; I63-S66 PolarHBondContact O-N 2.76Å; I63-S66 PolarHBondContact O-OG 2.92Å; S66-R77 WeakPolarHBondContact O-CD 3.44Å; S66-R77 WeakPolarHBondContact O-CG 3.12Å
67	K	79	Confident	81.9	Confident	145 Å²	145	69 Å²	69	63%	0.63	35%	0.35	S	S	*	.	H	α-helix	trans	-89.6	-12.6	176.4	-65.7	178	71.1	172.6	0	113.6	I63 F64 L65 T69	I63-K67 HydrophobicContact CG2-CD 3.92Å; I63-K67 WeakPolarHBondContact O-CB 3.35Å; I63-K67 WeakPolarHBondContact O-CG 3Å; I63-K67 PolarHBondContact O-N 3.42Å; F64-K67 PolarHBondContact O-N 3.45Å; L65-K67 VanDerWaalsContact C-N 3.28Å; L65-K67 PolarHBondContact O-N 3.01Å; K67-T69 WeakPolarHBondContact O-CG2 3.28Å; K67-T69 PolarHBondContact O-N 3.43Å
68	A	75.5	Confident	82	Confident	13 Å²	13	70.2 Å²	70.2	11%	0.107	35%	0.352	C	S	.	.			trans	-66.9	96	-179.3	0	0	0	0	0	110.9	F64 L65 Y72 R77	F64-A68 WeakPolarHBondContact O-CB 3.3Å; F64-A68 PolarHBondContact O-N 3.31Å; L65-A68 WeakPolarHBondContact O-CB 3.38Å; L65-A68 PolarHBondContact O-N 3.38Å; A68-Y72 HydrophobicContact CB-CD2 3.77Å; A68-Y72 HydrophobicContact CB-CE2 4.27Å; A68-R77 WeakPolarHBondContact O-CD 3.26Å
69	T	70.9	Confident	82.1	Confident	81 Å²	81	72.6 Å²	72.6	50%	0.497	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-30.9	-175.3	49.9	0	0	0	0	113.9	K67	K67-T69 WeakPolarHBondContact O-CG2 3.28Å; K67-T69 PolarHBondContact O-N 3.43Å
70	H	72.8	Confident	82.2	Confident	183 Å²	183	72.6 Å²	72.6	85%	0.847	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-15	-171.4	-60.6	-67.1	0	0	0	114.3
71	S	75.7	Confident	82.3	Confident	90 Å²	90	71.3 Å²	71.3	63%	0.629	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-20.7	-172.5	-54.2	0	0	0	0	113.9
72	Y	76.7	Confident	82.4	Confident	82 Å²	82	65.1 Å²	65.1	32%	0.322	33%	0.325	S	S	.	.	S	Bend	trans	-138.5	144.6	-172	-61.5	-82.4	0	0	0	112.6	V32 L65 A68 V76	V32-Y72 HydrophobicContact CG1-CE1 4.46Å; V32-Y72 HydrophobicContact CG2-CE1 4.08Å; L65-Y72 HydrophobicContact CD1-CD1 4Å; L65-Y72 HydrophobicContact CD1-CD2 3.37Å; L65-Y72 HydrophobicContact CD1-CE1 3.85Å; L65-Y72 HydrophobicContact CD1-CE2 3.2Å; L65-Y72 HydrophobicContact CD1-CG 3.77Å; L65-Y72 VanDerWaalsContact CD1-CZ 3.45Å; A68-Y72 HydrophobicContact CB-CD2 3.77Å; A68-Y72 HydrophobicContact CB-CE2 4.27Å; Y72-V76 HydrophobicContact CD1-CG1 4.17Å; Y72-V76 HydrophobicContact CG-CG1 4.3Å
73	S	83.4	Confident	82.5	Confident	37 Å²	37	64.5 Å²	64.5	26%	0.259	32%	0.321	S	S	.	.			trans	-56.2	150.2	172	177.8	0	0	0	0	112.5	E29 K75 V76 R77	E29-S73 WeakPolarHBondContact OE1-CB 3.48Å; E29-S73 WeakPolarHBondContact OE2-CB 3.49Å; S73-K75 PolarHBondContact O-N 3.43Å; S73-K75 VanDerWaalsContact O-N 3.11Å; S73-K75 PolarHBondContact OG-N 3.24Å; S73-V76 PolarHBondContact O-N 3.39Å; S73-V76 VanDerWaalsContact O-N 3.07Å; S73-R77 PolarHBondContact O-N 3.04Å
74	S	82.4	Confident	82.6	Confident	68 Å²	68	63.8 Å²	63.8	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-55.6	-28	175	-59.5	0	0	0	0	112.7	R77 V78	S74-R77 PolarHBondContact O-N 2.95Å; S74-R77 PolarHBondContact OG-NH2 2.83Å; S74-V78 WeakPolarHBondContact O-CG2 3.48Å; S74-V78 PolarHBondContact O-N 2.98Å
75	K	84.2	Confident	82.6	Confident	166 Å²	166	58.1 Å²	58.1	72%	0.722	29%	0.293	S	S	*	.	H	α-helix	trans	-60.3	-49.6	174.7	-68.9	-177.3	-180	176.1	0	111.7	S73 R77 V78 Y79	S73-K75 PolarHBondContact O-N 3.43Å; S73-K75 VanDerWaalsContact O-N 3.11Å; S73-K75 PolarHBondContact OG-N 3.24Å; K75-R77 VanDerWaalsContact C-N 3.29Å; K75-R77 PolarHBondContact O-N 3.27Å; K75-V78 PolarHBondContact O-N 2.8Å; K75-Y79 WeakPolarHBondContact O-CB 3.33Å; K75-Y79 PolarHBondContact O-N 3.48Å
76	V	86.1	Confident	82.8	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-41.7	178.2	176.9	0	0	0	0	110.4	V32 V33 L36 L65 Y72 S73 Y79 A80	V32-V76 HydrophobicContact CG1-CG1 3.58Å; V32-V76 HydrophobicContact CG1-CG2 4.42Å; V33-V76 HydrophobicContact CG2-CG2 3.94Å; L36-V76 HydrophobicContact CD1-CG1 3.93Å; L65-V76 HydrophobicContact CD1-CG1 4.32Å; L65-V76 HydrophobicContact CD2-CG1 4.31Å; L65-V76 HydrophobicContact CG-CG1 4.29Å; Y72-V76 HydrophobicContact CD1-CG1 4.17Å; Y72-V76 HydrophobicContact CG-CG1 4.3Å; S73-V76 PolarHBondContact O-N 3.39Å; S73-V76 VanDerWaalsContact O-N 3.07Å; V76-Y79 PolarHBondContact O-N 2.91Å; V76-A80 WeakPolarHBondContact O-CB 3.41Å; V76-A80 PolarHBondContact O-N 3.3Å
77	R	84.9	Confident	82.9	Confident	65 Å²	65	56.8 Å²	56.8	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-47.8	178.3	-70	-170.8	-75	158.3	-0.4	112.8	S66 A68 S73 S74 K75 Y79 A80 Q81	S66-R77 WeakPolarHBondContact O-CD 3.44Å; S66-R77 WeakPolarHBondContact O-CG 3.12Å; A68-R77 WeakPolarHBondContact O-CD 3.26Å; S73-R77 PolarHBondContact O-N 3.04Å; S74-R77 PolarHBondContact O-N 2.95Å; S74-R77 PolarHBondContact OG-NH2 2.83Å; K75-R77 VanDerWaalsContact C-N 3.29Å; K75-R77 PolarHBondContact O-N 3.27Å; R77-Y79 VanDerWaalsContact C-N 3.27Å; R77-Y79 PolarHBondContact O-N 2.89Å; R77-A80 PolarHBondContact O-N 2.97Å; R77-Q81 WeakPolarHBondContact O-CG 3.5Å; R77-Q81 PolarHBondContact O-N 3.2Å
78	V	85.1	Confident	83.1	Confident	55 Å²	55	51.2 Å²	51.2	33%	0.333	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-39.1	176	172	0	0	0	0	110.8	S74 K75 Q81 Q82 S114	S74-V78 WeakPolarHBondContact O-CG2 3.48Å; S74-V78 PolarHBondContact O-N 2.98Å; K75-V78 PolarHBondContact O-N 2.8Å; V78-Q81 WeakPolarHBondContact O-CB 3.45Å; V78-Q81 PolarHBondContact O-N 3.07Å; V78-Q82 PolarHBondContact O-N 3.02Å; V78-S114 WeakPolarHBondContact CG1-OG 3.35Å
79	Y	88	Confident	83.5	Confident	67 Å²	67	57.3 Å²	57.3	26%	0.263	29%	0.288	S	S	.	.	H	α-helix	trans	-69.8	-41	179.3	-151.3	-87.5	0	0	0	112.3	L36 S37 K75 V76 R77 Q81 Q82 V83	L36-Y79 HydrophobicContact CB-CD1 3.51Å; L36-Y79 HydrophobicContact CB-CE1 3.84Å; L36-Y79 HydrophobicContact CD1-CD1 4.24Å; S37-Y79 WeakPolarHBondContact CA-OH 3.35Å; S37-Y79 VanDerWaalsContact CB-OH 3.3Å; S37-Y79 WeakPolarHBondContact CB-OH 3.32Å; S37-Y79 PolarHBondContact OG-OH 3.33Å; K75-Y79 WeakPolarHBondContact O-CB 3.33Å; K75-Y79 PolarHBondContact O-N 3.48Å; V76-Y79 PolarHBondContact O-N 2.91Å; R77-Y79 VanDerWaalsContact C-N 3.27Å; R77-Y79 PolarHBondContact O-N 2.89Å; Y79-Q81 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 3.36Å; Y79-Q82 WeakPolarHBondContact O-CA 3.43Å; Y79-Q82 VanDerWaalsContact O-CB 3.3Å; Y79-Q82 WeakPolarHBondContact O-CB 3.45Å; Y79-Q82 PolarHBondContact O-N 2.92Å; Y79-V83 PolarHBondContact O-N 3.47Å
80	A	87.6	Confident	84	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-38.4	172.6	0	0	0	0	0	111.8	L36 V76 R77 Q82 V83 L84	L36-A80 HydrophobicContact CD1-CB 4.27Å; V76-A80 WeakPolarHBondContact O-CB 3.41Å; V76-A80 PolarHBondContact O-N 3.3Å; R77-A80 PolarHBondContact O-N 2.97Å; A80-Q82 VanDerWaalsContact C-N 3.31Å; A80-Q82 PolarHBondContact O-N 2.98Å; A80-V83 PolarHBondContact O-N 2.77Å; A80-L84 WeakPolarHBondContact O-CG 3.07Å; A80-L84 PolarHBondContact O-N 3.08Å
81	Q	87.5	Confident	84.2	Confident	28 Å²	28	53.5 Å²	53.5	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-37.1	172.6	-66.9	161.9	0.8	0	0	111.9	R77 V78 Y79 V83 L84 K85 G110	R77-Q81 WeakPolarHBondContact O-CG 3.5Å; R77-Q81 PolarHBondContact O-N 3.2Å; V78-Q81 WeakPolarHBondContact O-CB 3.45Å; V78-Q81 PolarHBondContact O-N 3.07Å; Y79-Q81 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 3.36Å; Q81-V83 VanDerWaalsContact C-N 3.35Å; Q81-L84 PolarHBondContact O-N 3.03Å; Q81-K85 WeakPolarHBondContact O-CG 3.48Å; Q81-K85 PolarHBondContact O-N 2.97Å; Q81-G110 PolarHBondContact OE1-O 3.26Å
82	Q	89.2	Confident	84.4	Confident	63 Å²	63	55.6 Å²	55.6	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-39.1	174.9	-173.7	63.2	16.7	0	0	112	Y40 V78 Y79 A80 K85 A86	Y40-Q82 HydrophobicContact CD2-CG 4.19Å; Y40-Q82 HydrophobicContact CE2-CG 3.83Å; V78-Q82 PolarHBondContact O-N 3.02Å; Y79-Q82 WeakPolarHBondContact O-CA 3.43Å; Y79-Q82 VanDerWaalsContact O-CB 3.3Å; Y79-Q82 WeakPolarHBondContact O-CB 3.45Å; Y79-Q82 PolarHBondContact O-N 2.92Å; A80-Q82 VanDerWaalsContact C-N 3.31Å; A80-Q82 PolarHBondContact O-N 2.98Å; Q82-K85 PolarHBondContact O-N 2.96Å; Q82-A86 PolarHBondContact O-N 3.15Å
83	V	88.1	Confident	84.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-47.3	172.5	178.1	0	0	0	0	110.9	L36 I39 L62 Y79 A80 Q81 K85 A86 V87	L36-V83 HydrophobicContact CB-CG2 4.33Å; L36-V83 HydrophobicContact CD2-CG2 4.4Å; I39-V83 HydrophobicContact CG2-CG1 3.63Å; L62-V83 HydrophobicContact CD1-CG1 3.73Å; Y79-V83 PolarHBondContact O-N 3.47Å; A80-V83 PolarHBondContact O-N 2.77Å; Q81-V83 VanDerWaalsContact C-N 3.35Å; V83-K85 VanDerWaalsContact C-N 3.29Å; V83-K85 PolarHBondContact O-N 3.21Å; V83-A86 WeakPolarHBondContact O-CB 2.91Å; V83-A86 PolarHBondContact O-N 3.16Å; V83-A86 VanDerWaalsContact O-N 3.07Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.32Å
84	L	87.1	Confident	84.1	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-40.1	177.4	-71	169.7	0	0	0	111.9	I59 L62 I63 A80 Q81 V87 W88 F107	I59-L84 HydrophobicContact CG2-CD2 4.15Å; L62-L84 HydrophobicContact CB-CD2 3.97Å; L62-L84 HydrophobicContact CB-CG 4.36Å; I63-L84 HydrophobicContact CG1-CD1 3.86Å; I63-L84 HydrophobicContact CG1-CD2 3.87Å; A80-L84 WeakPolarHBondContact O-CG 3.07Å; A80-L84 PolarHBondContact O-N 3.08Å; Q81-L84 PolarHBondContact O-N 3.03Å; L84-V87 PolarHBondContact O-N 3.48Å; L84-W88 PolarHBondContact O-N 3.32Å; L84-F107 HydrophobicContact CB-CB 4.49Å; L84-F107 HydrophobicContact CB-CD1 4.28Å; L84-F107 HydrophobicContact CD2-CD1 3.94Å; L84-F107 HydrophobicContact CD2-CE1 4.35Å
85	K	85.8	Confident	84	Confident	38 Å²	38	54 Å²	54	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-43.8	173	-74.2	175.5	-177.9	-176.3	0	112	Q81 Q82 V83 V87 W88 Q89 T111	Q81-K85 WeakPolarHBondContact O-CG 3.48Å; Q81-K85 PolarHBondContact O-N 2.97Å; Q82-K85 PolarHBondContact O-N 2.96Å; V83-K85 VanDerWaalsContact C-N 3.29Å; V83-K85 PolarHBondContact O-N 3.21Å; K85-V87 VanDerWaalsContact C-N 3.35Å; K85-W88 WeakPolarHBondContact O-CB 3.49Å; K85-W88 PolarHBondContact O-N 2.9Å; K85-W88 VanDerWaalsContact O-N 3.14Å; K85-Q89 WeakPolarHBondContact O-CG 3.37Å; K85-Q89 PolarHBondContact O-N 3.42Å; K85-T111 WeakPolarHBondContact CE-OG1 3.47Å; K85-T111 PolarHBondContact NZ-OG1 2.93Å
86	A	86.3	Confident	83.9	Confident	9 Å²	9	48.5 Å²	48.5	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-39.3	177.8	0	0	0	0	0	112.4	Y40 Q82 V83 W88 Q89 H90	Y40-A86 HydrophobicContact CD2-CB 3.81Å; Y40-A86 HydrophobicContact CE2-CB 3.64Å; Q82-A86 PolarHBondContact O-N 3.15Å; V83-A86 WeakPolarHBondContact O-CB 2.91Å; V83-A86 PolarHBondContact O-N 3.16Å; V83-A86 VanDerWaalsContact O-N 3.07Å; A86-W88 VanDerWaalsContact C-N 3.28Å; A86-W88 PolarHBondContact O-N 3.3Å; A86-Q89 PolarHBondContact O-N 3.07Å; A86-H90 PolarHBondContact O-CD2 3.5Å; A86-H90 VanDerWaalsContact O-CD2 3.31Å
87	V	85	Confident	83.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-43	171.9	175.7	0	0	0	0	110.4	T43 I59 V83 L84 K85 Q89 H90 F97 F107	T43-V87 HydrophobicContact CG2-CB 4.31Å; T43-V87 HydrophobicContact CG2-CG2 3.52Å; I59-V87 HydrophobicContact CD1-CB 4.4Å; I59-V87 HydrophobicContact CD1-CG1 3.83Å; I59-V87 HydrophobicContact CD1-CG2 3.87Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.32Å; L84-V87 PolarHBondContact O-N 3.48Å; K85-V87 VanDerWaalsContact C-N 3.35Å; V87-Q89 PolarHBondContact O-N 3.22Å; V87-H90 PolarHBondContact O-N 3.09Å; V87-F97 HydrophobicContact CG1-CE1 4.15Å; V87-F97 HydrophobicContact CG1-CE2 3.56Å; V87-F97 HydrophobicContact CG1-CZ 3.27Å; V87-F107 HydrophobicContact CG1-CE1 4.23Å
88	W	83.1	Confident	83.3	Confident	28 Å²	28	51.8 Å²	51.8	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-27.5	-179.9	-165.1	-100.6	0	0	0	114	L84 K85 A86 H90 Q94 F97 D104 F107	L84-W88 PolarHBondContact O-N 3.32Å; K85-W88 WeakPolarHBondContact O-CB 3.49Å; K85-W88 PolarHBondContact O-N 2.9Å; K85-W88 VanDerWaalsContact O-N 3.14Å; A86-W88 VanDerWaalsContact C-N 3.28Å; A86-W88 PolarHBondContact O-N 3.3Å; W88-H90 PolarHBondContact O-N 3.47Å; W88-Q94 HydrophobicContact CD2-CG 4.3Å; W88-Q94 HydrophobicContact CE3-CG 4.46Å; W88-Q94 HydrophobicContact CH2-CB 4.47Å; W88-Q94 HydrophobicContact CH2-CG 4.31Å; W88-Q94 HydrophobicContact CZ2-CG 4.16Å; W88-Q94 HydrophobicContact CZ3-CG 4.47Å; W88-Q94 PolarHBondContact O-NE2 3.37Å; W88-F97 HydrophobicContact CE3-CD2 4.46Å; W88-F97 HydrophobicContact CZ3-CB 4.2Å; W88-F97 HydrophobicContact CZ3-CD2 4.37Å; W88-D104 HydrophobicContact CH2-CB 4.14Å; W88-D104 WeakPolarHBondContact CH2-OD1 3.43Å; W88-D104 HydrophobicContact CZ2-CB 3.84Å; W88-D104 VanDerWaalsContact CZ2-CG 3.41Å; W88-D104 WeakPolarHBondContact CZ2-OD1 3.35Å; W88-F107 HydrophobicContact CB-CB 4.39Å; W88-F107 HydrophobicContact CD2-CB 4.47Å; W88-F107 HydrophobicContact CD2-CD2 4.24Å; W88-F107 HydrophobicContact CD2-CG 4.37Å; W88-F107 HydrophobicContact CE3-CB 4.23Å; W88-F107 HydrophobicContact CE3-CD1 4.24Å; W88-F107 AromaticContact CE3-CD2 3.29Å; W88-F107 HydrophobicContact CE3-CD2 3.29Å; W88-F107 HydrophobicContact CE3-CE1 4.46Å; W88-F107 AromaticContact CE3-CE2 3.57Å; W88-F107 HydrophobicContact CE3-CE2 3.57Å; W88-F107 AromaticContact CE3-CG 3.67Å; W88-F107 HydrophobicContact CE3-CG 3.67Å; W88-F107 HydrophobicContact CE3-CZ 4.15Å; W88-F107 AromaticContact CZ3-CD2 3.46Å; W88-F107 HydrophobicContact CZ3-CD2 3.46Å; W88-F107 VanDerWaalsContact CZ3-CD2 3.46Å; W88-F107 AromaticContact CZ3-CE2 3.42Å; W88-F107 HydrophobicContact CZ3-CE2 3.42Å; W88-F107 VanDerWaalsContact CZ3-CE2 3.42Å; W88-F107 HydrophobicContact CZ3-CG 4.31Å; W88-F107 HydrophobicContact CZ3-CZ 4.24Å
89	Q	84.2	Confident	83	Confident	141 Å²	141	58.4 Å²	58.4	66%	0.659	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-21.8	177.6	-68.6	-51.8	-58.8	0	0	112.8	K85 A86 V87 Q91	K85-Q89 WeakPolarHBondContact O-CG 3.37Å; K85-Q89 PolarHBondContact O-N 3.42Å; A86-Q89 PolarHBondContact O-N 3.07Å; V87-Q89 PolarHBondContact O-N 3.22Å; Q89-Q91 PolarHBondContact O-N 3.34Å; Q89-Q91 VanDerWaalsContact O-N 3.08Å
90	H	81.7	Confident	82.5	Confident	36 Å²	36	58 Å²	58	17%	0.167	28%	0.28	C	S	.	.			trans	-76.2	94.3	175.9	-66	-63.7	0	0	0	111.1	T43 A47 A86 V87 W88 D92 L93 Q94	T43-H90 PolarHBondContact O-CE1 2.84Å; T43-H90 PolarHBondContact O-NE2 3.32Å; A47-H90 HydrophobicContact CB-CB 4.45Å; A86-H90 PolarHBondContact O-CD2 3.5Å; A86-H90 VanDerWaalsContact O-CD2 3.31Å; V87-H90 PolarHBondContact O-N 3.09Å; W88-H90 PolarHBondContact O-N 3.47Å; H90-D92 VanDerWaalsContact C-N 3.27Å; H90-D92 PolarHBondContact O-N 2.94Å; H90-L93 HydrophobicContact CB-CD1 4.25Å; H90-L93 PolarHBondContact O-N 3.43Å; H90-L93 VanDerWaalsContact O-N 3.13Å; H90-Q94 PolarHBondContact O-N 2.91Å
91	Q	76.9	Confident	81.8	Confident	148 Å²	148	60.8 Å²	60.8	69%	0.692	31%	0.308	S	S	*	.	H	α-helix	trans	-56.7	-39.4	-176.9	-64.7	-174.5	2.7	0	0	112.7	Q89 L93 Q94	Q89-Q91 PolarHBondContact O-N 3.34Å; Q89-Q91 VanDerWaalsContact O-N 3.08Å; Q91-L93 PolarHBondContact O-N 3.3Å; Q91-L93 VanDerWaalsContact O-N 3.09Å; Q91-Q94 WeakPolarHBondContact O-CB 3.22Å; Q91-Q94 PolarHBondContact O-N 3.02Å; Q91-Q94 VanDerWaalsContact O-N 3.07Å
92	D	79.4	Confident	81.2	Confident	134 Å²	134	61.4 Å²	61.4	72%	0.717	31%	0.31	S	S	*	.	H	α-helix	trans	-59.2	-25.8	-179.2	-56.2	-28.9	0	0	0	113.4	H90	H90-D92 VanDerWaalsContact C-N 3.27Å; H90-D92 PolarHBondContact O-N 2.94Å
93	L	78	Confident	80	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-97.3	-13.5	-179.4	-65.9	174	0	0	0	113.7	A47 A50 K51 H90 Q91 D95 V96 F97	A47-L93 HydrophobicContact CB-CD1 4.3Å; A47-L93 VanDerWaalsContact O-CD1 3.31Å; A47-L93 WeakPolarHBondContact O-CD1 3.39Å; A50-L93 HydrophobicContact CB-CD1 3.43Å; A50-L93 VanDerWaalsContact CB-CD1 3.43Å; K51-L93 HydrophobicContact CB-CD1 4.27Å; K51-L93 HydrophobicContact CB-CD2 3.7Å; K51-L93 HydrophobicContact CD-CD2 4.28Å; K51-L93 HydrophobicContact CG-CD2 3.88Å; H90-L93 HydrophobicContact CB-CD1 4.25Å; H90-L93 PolarHBondContact O-N 3.43Å; H90-L93 VanDerWaalsContact O-N 3.13Å; Q91-L93 PolarHBondContact O-N 3.3Å; Q91-L93 VanDerWaalsContact O-N 3.09Å; L93-D95 PolarHBondContact O-N 3.42Å; L93-V96 HydrophobicContact CD2-CG2 4.27Å; L93-V96 WeakPolarHBondContact O-CA 3.49Å; L93-V96 WeakPolarHBondContact O-CB 3.45Å; L93-V96 PolarHBondContact O-N 3.3Å; L93-F97 HydrophobicContact CB-CD2 4.07Å; L93-F97 HydrophobicContact CB-CE2 3.5Å; L93-F97 VanDerWaalsContact CB-CE2 3.5Å; L93-F97 HydrophobicContact CB-CZ 4.07Å; L93-F97 HydrophobicContact CD1-CE2 4.49Å; L93-F97 HydrophobicContact CD1-CZ 4.45Å; L93-F97 WeakPolarHBondContact O-CD2 3.4Å; L93-F97 WeakPolarHBondContact O-CG 3.49Å; L93-F97 PolarHBondContact O-N 3.4Å
94	Q	75.4	Confident	79.1	Confident	42 Å²	42	68.3 Å²	68.3	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-36	179.1	-69	-178.8	6.3	0	0	111.9	W88 H90 Q91 V96 F97 R98	W88-Q94 HydrophobicContact CD2-CG 4.3Å; W88-Q94 HydrophobicContact CE3-CG 4.46Å; W88-Q94 HydrophobicContact CH2-CB 4.47Å; W88-Q94 HydrophobicContact CH2-CG 4.31Å; W88-Q94 HydrophobicContact CZ2-CG 4.16Å; W88-Q94 HydrophobicContact CZ3-CG 4.47Å; W88-Q94 PolarHBondContact O-NE2 3.37Å; H90-Q94 PolarHBondContact O-N 2.91Å; Q91-Q94 WeakPolarHBondContact O-CB 3.22Å; Q91-Q94 PolarHBondContact O-N 3.02Å; Q91-Q94 VanDerWaalsContact O-N 3.07Å; Q94-V96 VanDerWaalsContact C-N 3.32Å; Q94-F97 PolarHBondContact O-N 3.35Å; Q94-R98 WeakPolarHBondContact O-CB 3.4Å; Q94-R98 WeakPolarHBondContact O-CG 3.2Å; Q94-R98 PolarHBondContact O-N 2.82Å
95	D	79.9	Confident	77.9	Confident	99 Å²	99	74.1 Å²	74.1	53%	0.529	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-38.5	174.2	-69.4	-39.2	0	0	0	111.8	L93 R98 K99	L93-D95 PolarHBondContact O-N 3.42Å; D95-R98 IonicContact OD1-CZ 3.64Å; D95-R98 IonicContact OD1-NH1 2.77Å; D95-R98 IonicContact OD1-NH2 2.93Å; D95-R98 PolarHBondContact OD1-NH2 2.82Å; D95-K99 VanDerWaalsContact O-CB 3.26Å; D95-K99 WeakPolarHBondContact O-CB 3.19Å; D95-K99 PolarHBondContact O-N 3.01Å
96	V	82.3	Confident	77	Confident	51 Å²	51	76 Å²	76	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-66.4	-44.3	176.5	-175.5	0	0	0	0	110.5	L93 Q94 K99 S100	L93-V96 HydrophobicContact CD2-CG2 4.27Å; L93-V96 WeakPolarHBondContact O-CA 3.49Å; L93-V96 WeakPolarHBondContact O-CB 3.45Å; L93-V96 PolarHBondContact O-N 3.3Å; Q94-V96 VanDerWaalsContact C-N 3.32Å; V96-K99 PolarHBondContact O-N 3.28Å; V96-S100 PolarHBondContact O-N 3.06Å; V96-S100 PolarHBondContact O-OG 3Å
97	F	79.4	Confident	76.1	Confident	1 Å²	1	75.7 Å²	75.7	0%	0.004	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-48.4	177.3	-65.3	-52.2	0	0	0	112	H54 I59 V87 W88 L93 Q94 K99 S100 G101 F102 F107	H54-F97 HydrophobicContact CB-CE1 3.66Å; H54-F97 HydrophobicContact CB-CZ 4.4Å; H54-F97 AromaticContact CD2-CD1 3.38Å; H54-F97 WeakPolarHBondContact CD2-CD1 3.48Å; H54-F97 AromaticContact CD2-CE1 3.35Å; H54-F97 WeakPolarHBondContact CD2-CE1 3.32Å; H54-F97 AromaticContact CG-CD1 3.92Å; H54-F97 AromaticContact CG-CE1 3.54Å; H54-F97 AromaticContact NE2-CD1 3.74Å; I59-F97 HydrophobicContact CG1-CE1 4.24Å; V87-F97 HydrophobicContact CG1-CE1 4.15Å; V87-F97 HydrophobicContact CG1-CE2 3.56Å; V87-F97 HydrophobicContact CG1-CZ 3.27Å; W88-F97 HydrophobicContact CE3-CD2 4.46Å; W88-F97 HydrophobicContact CZ3-CB 4.2Å; W88-F97 HydrophobicContact CZ3-CD2 4.37Å; L93-F97 HydrophobicContact CB-CD2 4.07Å; L93-F97 HydrophobicContact CB-CE2 3.5Å; L93-F97 VanDerWaalsContact CB-CE2 3.5Å; L93-F97 HydrophobicContact CB-CZ 4.07Å; L93-F97 HydrophobicContact CD1-CE2 4.49Å; L93-F97 HydrophobicContact CD1-CZ 4.45Å; L93-F97 WeakPolarHBondContact O-CD2 3.4Å; L93-F97 WeakPolarHBondContact O-CG 3.49Å; L93-F97 PolarHBondContact O-N 3.4Å; Q94-F97 PolarHBondContact O-N 3.35Å; F97-K99 VanDerWaalsContact C-N 3.33Å; F97-K99 PolarHBondContact O-N 3.27Å; F97-S100 WeakPolarHBondContact CA-OG 3.32Å; F97-S100 PolarHBondContact O-N 3.18Å; F97-S100 VanDerWaalsContact O-N 3.15Å; F97-S100 PolarHBondContact O-OG 3.32Å; F97-G101 PolarHBondContact O-N 2.79Å; F97-F102 HydrophobicContact CB-CB 4.47Å; F97-F102 PolarHBondContact O-N 2.77Å; F97-F102 VanDerWaalsContact O-N 3.08Å; F97-F107 HydrophobicContact CB-CE2 4.42Å; F97-F107 HydrophobicContact CB-CZ 4.31Å; F97-F107 HydrophobicContact CD1-CZ 4.02Å; F97-F107 HydrophobicContact CD2-CZ 4.38Å; F97-F107 HydrophobicContact CE1-CZ 4.47Å; F97-F107 AromaticContact CG-CZ 4Å; F97-F107 HydrophobicContact CG-CZ 4Å
98	R	79.8	Confident	75.1	Confident	133 Å²	133	79.3 Å²	79.3	50%	0.502	40%	0.396	S	S	.	.	H	α-helix	trans	-60.5	-41.5	176.1	-79.8	-175.3	-78.8	144.5	-3.9	111.8	Q94 D95 S100 G101	Q94-R98 WeakPolarHBondContact O-CB 3.4Å; Q94-R98 WeakPolarHBondContact O-CG 3.2Å; Q94-R98 PolarHBondContact O-N 2.82Å; D95-R98 IonicContact OD1-CZ 3.64Å; D95-R98 IonicContact OD1-NH1 2.77Å; D95-R98 IonicContact OD1-NH2 2.93Å; D95-R98 PolarHBondContact OD1-NH2 2.82Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 3.1Å; R98-G101 PolarHBondContact O-N 3.42Å
99	K	78.5	Confident	73.9	Confident	195 Å²	195	82.9 Å²	82.9	85%	0.848	42%	0.42	S	S	*	.	H	α-helix	trans	-65.4	-32.9	176.7	-169	-178.4	176.6	-163	0	112.8	D95 V96 F97 G101	D95-K99 VanDerWaalsContact O-CB 3.26Å; D95-K99 WeakPolarHBondContact O-CB 3.19Å; D95-K99 PolarHBondContact O-N 3.01Å; V96-K99 PolarHBondContact O-N 3.28Å; F97-K99 VanDerWaalsContact C-N 3.33Å; F97-K99 PolarHBondContact O-N 3.27Å; K99-G101 PolarHBondContact O-N 2.96Å
100	S	77.8	Confident	72.5	Confident	58 Å²	58	77.1 Å²	77.1	41%	0.406	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.3	173.3	61.8	0	0	0	0	114.2	H54 V96 F97 R98 F102	H54-S100 PolarHBondContact CE1-OG 3.08Å; H54-S100 PolarHBondContact NE2-OG 2.85Å; V96-S100 PolarHBondContact O-N 3.06Å; V96-S100 PolarHBondContact O-OG 3Å; F97-S100 WeakPolarHBondContact CA-OG 3.32Å; F97-S100 PolarHBondContact O-N 3.18Å; F97-S100 VanDerWaalsContact O-N 3.15Å; F97-S100 PolarHBondContact O-OG 3.32Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 3.1Å; S100-F102 WeakPolarHBondContact OG-CD2 3.3Å
101	G	73.5	Confident	70.9	Confident	58 Å²	58	78.1 Å²	78.1	60%	0.598	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	6.7	177.3	0	0	0	0	0	115.1	F97 R98 K99	F97-G101 PolarHBondContact O-N 2.79Å; R98-G101 PolarHBondContact O-N 3.42Å; K99-G101 PolarHBondContact O-N 2.96Å
102	F	73.2	Confident	69.4	Low	41 Å²	41	75.5 Å²	75.5	18%	0.18	41%	0.411	C	S	.	.			trans	-74.3	134.2	172.2	-68.6	-71.7	0	0	0	110.2	H54 P60 F97 S100 E106 F107	H54-F102 AromaticContact CD2-CE2 3.72Å; H54-F102 AromaticContact NE2-CD2 3.64Å; H54-F102 AromaticContact NE2-CE2 3.41Å; H54-F102 WeakPolarHBondContact NE2-CE2 3.48Å; P60-F102 HydrophobicContact CG-CE1 3.96Å; P60-F102 HydrophobicContact CG-CZ 3.67Å; F97-F102 HydrophobicContact CB-CB 4.47Å; F97-F102 PolarHBondContact O-N 2.77Å; F97-F102 VanDerWaalsContact O-N 3.08Å; S100-F102 WeakPolarHBondContact OG-CD2 3.3Å; F102-E106 WeakPolarHBondContact CA-OE2 3.3Å; F102-F107 HydrophobicContact CB-CE2 3.74Å; F102-F107 HydrophobicContact CB-CZ 4.05Å; F102-F107 HydrophobicContact CG-CZ 4.4Å
103	K	65.1	Low	67.8	Low	134 Å²	134	80.3 Å²	80.3	58%	0.583	42%	0.419	S	S	*	.			trans	-92.5	147.7	176.1	-72.6	178.6	157.3	-172.7	0	111.1	E105 E106 F107	K103-E105 PolarHBondContact O-N 2.82Å; K103-E105 VanDerWaalsContact O-N 3.08Å; K103-E106 HydrophobicContact CB-CG 4.44Å; K103-E106 PolarHBondContact N-OE2 3.35Å; K103-E106 VanDerWaalsContact N-OE2 3.08Å; K103-E106 WeakPolarHBondContact O-CB 3.36Å; K103-E106 PolarHBondContact O-N 2.9Å; K103-F107 WeakPolarHBondContact O-CD2 3.37Å
104	D	67.8	Low	66	Low	75 Å²	75	81.5 Å²	81.5	40%	0.401	43%	0.428	S	S	.	.	H	α-helix	trans	-49.6	-37.9	173.7	-46.8	-12	0	0	0	111.3	W88 E106 F107 L108	W88-D104 HydrophobicContact CH2-CB 4.14Å; W88-D104 WeakPolarHBondContact CH2-OD1 3.43Å; W88-D104 HydrophobicContact CZ2-CB 3.84Å; W88-D104 VanDerWaalsContact CZ2-CG 3.41Å; W88-D104 WeakPolarHBondContact CZ2-OD1 3.35Å; D104-E106 VanDerWaalsContact C-N 3.29Å; D104-E106 PolarHBondContact O-N 3.39Å; D104-F107 PolarHBondContact O-N 3.3Å; D104-F107 VanDerWaalsContact O-N 3.16Å; D104-L108 HydrophobicContact CB-CD1 4.27Å; D104-L108 WeakPolarHBondContact O-CB 3.43Å; D104-L108 WeakPolarHBondContact O-CD1 3.17Å; D104-L108 PolarHBondContact O-N 3.34Å; D104-L108 VanDerWaalsContact O-N 3.15Å
105	E	61.9	Low	64.6	Low	123 Å²	123	84.7 Å²	84.7	58%	0.575	45%	0.451	S	S	*	.	H	α-helix	trans	-58.6	-37.7	177.8	-59.6	-165.3	99.2	0	0	112.3	K103 F107 L108 V109	K103-E105 PolarHBondContact O-N 2.82Å; K103-E105 VanDerWaalsContact O-N 3.08Å; E105-F107 PolarHBondContact O-N 3.07Å; E105-L108 PolarHBondContact O-N 2.93Å; E105-L108 VanDerWaalsContact O-N 3.08Å; E105-V109 HydrophobicContact CB-CG2 3.86Å; E105-V109 WeakPolarHBondContact O-CA 3.12Å; E105-V109 WeakPolarHBondContact O-CB 3.38Å; E105-V109 WeakPolarHBondContact O-CG2 3.5Å; E105-V109 PolarHBondContact O-N 2.95Å
106	E	68.5	Low	63	Low	78 Å²	78	87.1 Å²	87.1	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-28.1	-178.9	-64.4	-176.2	94.5	0	0	112.7	I63 F102 K103 D104	I63-E106 HydrophobicContact CD1-CB 3.94Å; F102-E106 WeakPolarHBondContact CA-OE2 3.3Å; K103-E106 HydrophobicContact CB-CG 4.44Å; K103-E106 PolarHBondContact N-OE2 3.35Å; K103-E106 VanDerWaalsContact N-OE2 3.08Å; K103-E106 WeakPolarHBondContact O-CB 3.36Å; K103-E106 PolarHBondContact O-N 2.9Å; D104-E106 VanDerWaalsContact C-N 3.29Å; D104-E106 PolarHBondContact O-N 3.39Å
107	F	66	Low	61.2	Low	2 Å²	2	90.1 Å²	90.1	1%	0.009	47%	0.473	C	S	.	.	H	α-helix	trans	-83.1	-27.9	174.9	-59.8	-86.4	0	0	0	112.6	I59 L84 V87 W88 F97 F102 K103 D104 E105	I59-F107 HydrophobicContact CG2-CD1 4.42Å; I59-F107 HydrophobicContact CG2-CE1 3.47Å; I59-F107 VanDerWaalsContact CG2-CE1 3.47Å; I59-F107 HydrophobicContact CG2-CZ 3.88Å; L84-F107 HydrophobicContact CB-CB 4.49Å; L84-F107 HydrophobicContact CB-CD1 4.28Å; L84-F107 HydrophobicContact CD2-CD1 3.94Å; L84-F107 HydrophobicContact CD2-CE1 4.35Å; V87-F107 HydrophobicContact CG1-CE1 4.23Å; W88-F107 HydrophobicContact CB-CB 4.39Å; W88-F107 HydrophobicContact CD2-CB 4.47Å; W88-F107 HydrophobicContact CD2-CD2 4.24Å; W88-F107 HydrophobicContact CD2-CG 4.37Å; W88-F107 HydrophobicContact CE3-CB 4.23Å; W88-F107 HydrophobicContact CE3-CD1 4.24Å; W88-F107 AromaticContact CE3-CD2 3.29Å; W88-F107 HydrophobicContact CE3-CD2 3.29Å; W88-F107 HydrophobicContact CE3-CE1 4.46Å; W88-F107 AromaticContact CE3-CE2 3.57Å; W88-F107 HydrophobicContact CE3-CE2 3.57Å; W88-F107 AromaticContact CE3-CG 3.67Å; W88-F107 HydrophobicContact CE3-CG 3.67Å; W88-F107 HydrophobicContact CE3-CZ 4.15Å; W88-F107 AromaticContact CZ3-CD2 3.46Å; W88-F107 HydrophobicContact CZ3-CD2 3.46Å; W88-F107 VanDerWaalsContact CZ3-CD2 3.46Å; W88-F107 AromaticContact CZ3-CE2 3.42Å; W88-F107 HydrophobicContact CZ3-CE2 3.42Å; W88-F107 VanDerWaalsContact CZ3-CE2 3.42Å; W88-F107 HydrophobicContact CZ3-CG 4.31Å; W88-F107 HydrophobicContact CZ3-CZ 4.24Å; F97-F107 HydrophobicContact CB-CE2 4.42Å; F97-F107 HydrophobicContact CB-CZ 4.31Å; F97-F107 HydrophobicContact CD1-CZ 4.02Å; F97-F107 HydrophobicContact CD2-CZ 4.38Å; F97-F107 HydrophobicContact CE1-CZ 4.47Å; F97-F107 AromaticContact CG-CZ 4Å; F97-F107 HydrophobicContact CG-CZ 4Å; F102-F107 HydrophobicContact CB-CE2 3.74Å; F102-F107 HydrophobicContact CB-CZ 4.05Å; F102-F107 HydrophobicContact CG-CZ 4.4Å; K103-F107 WeakPolarHBondContact O-CD2 3.37Å; D104-F107 PolarHBondContact O-N 3.3Å; D104-F107 VanDerWaalsContact O-N 3.16Å; E105-F107 PolarHBondContact O-N 3.07Å
108	L	64.1	Low	59.6	Low	77 Å²	77	97.2 Å²	97.2	40%	0.403	52%	0.516	S	S	.	.	H	α-helix	trans	-105.9	-18	-169.5	-73.1	154.8	0	0	0	115	D104 E105 G110 T111	D104-L108 HydrophobicContact CB-CD1 4.27Å; D104-L108 WeakPolarHBondContact O-CB 3.43Å; D104-L108 WeakPolarHBondContact O-CD1 3.17Å; D104-L108 PolarHBondContact O-N 3.34Å; D104-L108 VanDerWaalsContact O-N 3.15Å; E105-L108 PolarHBondContact O-N 2.93Å; E105-L108 VanDerWaalsContact O-N 3.08Å; L108-G110 PolarHBondContact O-N 3.11Å; L108-T111 PolarHBondContact O-N 3Å; L108-T111 VanDerWaalsContact O-N 3.1Å; L108-T111 PolarHBondContact O-OG1 3.1Å
109	V	59	Low	57.8	Low	102 Å²	102	95.8 Å²	95.8	62%	0.618	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-1.6	-172.6	156.6	0	0	0	0	114.5	E105	E105-V109 HydrophobicContact CB-CG2 3.86Å; E105-V109 WeakPolarHBondContact O-CA 3.12Å; E105-V109 WeakPolarHBondContact O-CB 3.38Å; E105-V109 WeakPolarHBondContact O-CG2 3.5Å; E105-V109 PolarHBondContact O-N 2.95Å
110	G	54.2	Low	56	Low	20 Å²	20	92.7 Å²	92.7	21%	0.206	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.9	170.6	0	0	0	0	0	117.3	Q81 L108 A112	Q81-G110 PolarHBondContact OE1-O 3.26Å; L108-G110 PolarHBondContact O-N 3.11Å; G110-A112 VanDerWaalsContact C-N 3.28Å; G110-A112 PolarHBondContact O-N 3.48Å; G110-A112 VanDerWaalsContact O-N 3.1Å
111	T	49.2	Very low	54.4	Low	57 Å²	57	96.3 Å²	96.3	35%	0.35	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	47.2	-167.8	-30.3	0	0	0	0	112.8	K85 L108 R113	K85-T111 WeakPolarHBondContact CE-OG1 3.47Å; K85-T111 PolarHBondContact NZ-OG1 2.93Å; L108-T111 PolarHBondContact O-N 3Å; L108-T111 VanDerWaalsContact O-N 3.1Å; L108-T111 PolarHBondContact O-OG1 3.1Å; T111-R113 VanDerWaalsContact C-N 3.32Å
112	A	45.2	Very low	53.1	Low	94 Å²	94	101 Å²	101	78%	0.777	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-38.6	161.3	0	0	0	0	0	110.4	G110	G110-A112 VanDerWaalsContact C-N 3.28Å; G110-A112 PolarHBondContact O-N 3.48Å; G110-A112 VanDerWaalsContact O-N 3.1Å
113	R	44.4	Very low	51.6	Low	235 Å²	235	109.2 Å²	109.2	89%	0.887	57%	0.57	S	S	*	*	S	Bend	trans	-153.1	7.6	-172.1	-72	-172	60.1	-171.4	-4.1	119.8	T111	T111-R113 VanDerWaalsContact C-N 3.32Å
114	S	41.8	Very low	50.8	Low	36 Å²	36	108.3 Å²	108.3	25%	0.252	58%	0.578	S	S	.	*			trans	-107.4	69	177.2	-157.4	0	0	0	0	112.3	V78 I116	V78-S114 WeakPolarHBondContact CG1-OG 3.35Å; S114-I116 PolarHBondContact O-N 3.27Å
115	T	44.8	Very low	49.7	Very low	110 Å²	110	112.7 Å²	112.7	68%	0.675	60%	0.6	S	S	*	*			trans	-84.3	67.8	160	-37.8	0	0	0	0	107.8	Q117	T115-Q117 HydrophobicContact CG2-CB 4.1Å; T115-Q117 HydrophobicContact CG2-CG 4.47Å; T115-Q117 PolarHBondContact O-N 2.77Å
116	I	46.1	Very low	48.7	Very low	149 Å²	149	112.5 Å²	112.5	76%	0.764	61%	0.613	S	S	*	*			trans	-85	65.1	150	-52.7	178.2	0	0	0	105.2	S114	S114-I116 PolarHBondContact O-N 3.27Å
117	Q	45.6	Very low	47.6	Very low	115 Å²	115	115.4 Å²	115.4	54%	0.537	64%	0.636	S	S	.	*			trans	-99.8	113	156.7	-72.1	-130.5	-18.6	0	0	105.1	T115 N119	T115-Q117 HydrophobicContact CG2-CB 4.1Å; T115-Q117 HydrophobicContact CG2-CG 4.47Å; T115-Q117 PolarHBondContact O-N 2.77Å; Q117-N119 PolarHBondContact O-N 3.22Å
118	V	44.4	Very low	46.5	Very low	149 Å²	149	120.8 Å²	120.8	90%	0.903	67%	0.673	S	S	*	*			trans	-60.6	76.7	156.8	-177.6	0	0	0	0	106.1
119	N	43.2	Very low	45.4	Very low	103 Å²	103	119.9 Å²	119.9	55%	0.551	68%	0.683	S	S	*	*			trans	-153.7	112.8	168.3	-160.4	26.7	0	0	0	107.2	Q117 L121	Q117-N119 PolarHBondContact O-N 3.22Å; N119-L121 PolarHBondContact O-N 2.81Å
120	T	41	Very low	44.5	Very low	131 Å²	131	121.1 Å²	121.1	80%	0.804	69%	0.69	S	S	*	*			trans	-69.9	33.6	-162.7	43.5	0	0	0	0	115.4	I122	T120-I122 VanDerWaalsContact C-N 3.35Å; T120-I122 PolarHBondContact O-N 2.94Å; T120-I122 VanDerWaalsContact O-N 3.15Å
121	L	44.5	Very low	43.6	Very low	134 Å²	134	126.7 Å²	126.7	70%	0.702	72%	0.715	S	S	*	*			trans	-93.9	76.2	178.5	-69.5	164.1	0	0	0	110.1	N119 R123	N119-L121 PolarHBondContact O-N 2.81Å; L121-R123 VanDerWaalsContact C-N 3.32Å; L121-R123 PolarHBondContact O-N 3.18Å
122	I	45.3	Very low	43.1	Very low	156 Å²	156	133 Å²	133	80%	0.8	74%	0.741	S	S	*	*			trans	-51.4	97	155.1	-55.9	-75.3	0	0	0	107.3	T120	T120-I122 VanDerWaalsContact C-N 3.35Å; T120-I122 PolarHBondContact O-N 2.94Å; T120-I122 VanDerWaalsContact O-N 3.15Å
123	R	42.6	Very low	42.3	Very low	214 Å²	214	139.2 Å²	139.2	81%	0.808	75%	0.746	S	S	*	*			trans	-117.7	111.1	153.3	-77.6	-174.2	167.6	165.5	-3	106.2	L121 L125	L121-R123 VanDerWaalsContact C-N 3.32Å; L121-R123 PolarHBondContact O-N 3.18Å; R123-L125 PolarHBondContact O-N 2.9Å
124	P	48.1	Very low	42.1	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	74%	0.739	S	S	*	*			trans	-58.1	123.7	-179.3	23.5	-31.5	0	0	0	108.2	S126	P124-S126 PolarHBondContact O-N 3.07Å
125	L	44.6	Very low	41.8	Very low	166 Å²	166	137 Å²	137	87%	0.869	76%	0.763	S	S	*	*			trans	-61.9	115.1	170.7	-82.6	92.5	0	0	0	107.3	R123 T127	R123-L125 PolarHBondContact O-N 2.9Å; L125-T127 PolarHBondContact O-N 2.98Å
126	S	39.3	Very low	41.6	Very low	120 Å²	120	137.1 Å²	137.1	84%	0.839	77%	0.768	S	S	*	*			trans	-56.6	101.6	166.5	-59	0	0	0	0	108.5	P124 S128	P124-S126 PolarHBondContact O-N 3.07Å; S126-S128 VanDerWaalsContact C-N 3.35Å; S126-S128 PolarHBondContact O-N 3.15Å
127	T	45.8	Very low	41	Very low	139 Å²	139	135 Å²	135	85%	0.853	77%	0.774	S	S	*	*			trans	-66.4	91.1	172	155.2	0	0	0	0	108.5	L125	L125-T127 PolarHBondContact O-N 2.98Å
128	S	44.1	Very low	40.5	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	78%	0.781	S	S	*	*			trans	-86.4	128.7	164.7	178.6	0	0	0	0	109.2	S126	S126-S128 VanDerWaalsContact C-N 3.35Å; S126-S128 PolarHBondContact O-N 3.15Å
129	G	40.4	Very low	40	Very low	58 Å²	58	133 Å²	133	60%	0.598	78%	0.779	S	S	*	*			trans	70.3	96	153.5	0	0	0	0	0	116.1
130	V	40.1	Very low	39.5	Very low	129 Å²	129	138.4 Å²	138.4	78%	0.782	79%	0.792	S	S	*	*				63.8	100.3	84.3	-176.2	0	0	0	0	112.2
131	D	35	Very low	39.5	Very low	136 Å²	136	138.7 Å²	138.7	73%	0.727	79%	0.793	S	S	*	*			trans	51.2	115.4	144.5	-55.4	-50.9	0	0	0	120.6
132	H	37.9	Very low	39	Very low	191 Å²	191	138.1 Å²	138.1	88%	0.884	80%	0.799	S	S	*	*				-158.6	103.9	129.1	-103.8	29.5	0	0	0	110.3
133	Y	29.7	Very low	39.1	Very low	224 Å²	224	133.7 Å²	133.7	88%	0.878	79%	0.791	S	S	*	*			trans	-80.7	131.6	163	-112	-95.8	0	0	0	108.9
134	P	40.8	Very low	39.1	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	79%	0.79	S	S	*	*			trans	-125.9	116.3	136.1	29.6	-17.1	0	0	0	109.6	S136	P134-S136 PolarHBondContact O-N 3.16Å
135	S	35.1	Very low	39	Very low	109 Å²	109	128.5 Å²	128.5	76%	0.762	77%	0.773	S	S	*	*			trans	-67.8	118.5	166.5	-161.2	0	0	0	0	108.2
136	S	40.4	Very low	39.2	Very low	111 Å²	111	123.9 Å²	123.9	78%	0.776	76%	0.755	S	S	*	*			trans	-137.7	113.6	164.6	-77.5	0	0	0	0	108	P134 S138	P134-S136 PolarHBondContact O-N 3.16Å; S136-S138 PolarHBondContact O-N 3.34Å
137	A	33.1	Very low	39.8	Very low	106 Å²	106	123.3 Å²	123.3	88%	0.876	75%	0.746	S	S	*	*			trans	-50.1	124	-179.5	0	0	0	0	0	111.7
138	S	35.2	Very low	40	Very low	100 Å²	100	121.5 Å²	121.5	70%	0.699	73%	0.731	S	S	*	*			trans	-133.8	88.5	151.6	-153.4	0	0	0	0	108	S136 R140	S136-S138 PolarHBondContact O-N 3.34Å; S138-R140 PolarHBondContact O-N 3.41Å; S138-R140 VanDerWaalsContact O-N 3.16Å
139	S	33.2	Very low	40.3	Very low	122 Å²	122	124.5 Å²	124.5	85%	0.853	73%	0.725	S	S	*	*			trans	-48.5	110.9	167.4	176.1	0	0	0	0	110.1
140	R	34.1	Very low	40.9	Very low	216 Å²	216	125.5 Å²	125.5	82%	0.815	72%	0.723	S	S	*	*			trans	-147.1	125.9	158.9	-68.5	-165.1	-161.6	-138.7	1.3	109.9	S138	S138-R140 PolarHBondContact O-N 3.41Å; S138-R140 VanDerWaalsContact O-N 3.16Å
141	V	41.1	Very low	41	Very low	136 Å²	136	125 Å²	125	82%	0.824	71%	0.712	S	S	*	*			trans	77.5	99.7	160	-168.9	0	0	0	0	115.8	G143	V141-G143 PolarHBondContact O-N 2.77Å
142	C	34.1	Very low	42	Very low	123 Å²	123	124.5 Å²	124.5	83%	0.831	71%	0.708	S	S	*	*			trans	-44.2	109.9	156.6	179.5	0	0	0	0	110.7
143	G	45.9	Very low	42.6	Very low	62 Å²	62	119.8 Å²	119.8	64%	0.639	69%	0.69	S	S	*	*			trans	-133.7	120.4	159.7	0	0	0	0	0	106	V141 D145	V141-G143 PolarHBondContact O-N 2.77Å; G143-D145 PolarHBondContact O-N 2.82Å
144	D	42.9	Very low	43.5	Very low	147 Å²	147	120.2 Å²	120.2	79%	0.786	69%	0.69	S	S	*	*			trans	-60.2	77.8	178.9	-83.8	-59.2	0	0	0	111.6	S146	D144-S146 PolarHBondContact O-N 3.5Å
145	D	46.1	Very low	43.8	Very low	73 Å²	73	120.8 Å²	120.8	39%	0.39	68%	0.684	S	S	.	*			trans	-92.3	32.8	170.9	-158.3	-94.2	0	0	0	110.6	G143 T147 L148 R149	G143-D145 PolarHBondContact O-N 2.82Å; D145-T147 VanDerWaalsContact C-N 3.27Å; D145-L148 WeakPolarHBondContact OD1-CB 3.05Å; D145-L148 WeakPolarHBondContact OD2-CD1 3.49Å; D145-R149 WeakPolarHBondContact O-CB 3.22Å; D145-R149 PolarHBondContact O-N 3.16Å; D145-R149 PolarHBondContact OD1-N 2.79Å
146	S	49.5	Very low	44.2	Very low	70 Å²	70	124 Å²	124	49%	0.49	68%	0.68	S	S	.	*	H	α-helix	trans	-70.3	-29.2	175.6	55.7	0	0	0	0	110.9	D144 S150	D144-S146 PolarHBondContact O-N 3.5Å; S146-S150 VanDerWaalsContact O-CB 3.25Å; S146-S150 WeakPolarHBondContact O-CB 3.47Å; S146-S150 PolarHBondContact O-N 2.77Å; S146-S150 PolarHBondContact O-OG 2.97Å
147	T	51.7	Low	44.7	Very low	107 Å²	107	126 Å²	126	66%	0.656	68%	0.681	S	S	*	*	H	α-helix	trans	-74.9	-45.2	179.6	-41.9	0	0	0	0	112.7	D145 Q151	D145-T147 VanDerWaalsContact C-N 3.27Å; T147-Q151 VanDerWaalsContact O-CB 3.3Å; T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 PolarHBondContact O-N 3.47Å
148	L	49.3	Very low	45.2	Very low	102 Å²	102	128.1 Å²	128.1	53%	0.534	68%	0.677	S	S	.	*	H	α-helix	trans	-74.8	-40.6	-176.9	-65.2	-178.9	0	0	0	112.1	D145 Q151 L152	D145-L148 WeakPolarHBondContact OD1-CB 3.05Å; D145-L148 WeakPolarHBondContact OD2-CD1 3.49Å; L148-Q151 PolarHBondContact O-N 3.4Å; L148-L152 PolarHBondContact O-N 3.22Å
149	R	51.5	Low	45.6	Very low	176 Å²	176	133.2 Å²	133.2	66%	0.664	69%	0.687	S	S	*	*	H	α-helix	trans	-63	-42.8	173	-83.1	170.7	63.9	-130.5	0.6	112.9	D145 Q151 L152 D153	D145-R149 WeakPolarHBondContact O-CB 3.22Å; D145-R149 PolarHBondContact O-N 3.16Å; D145-R149 PolarHBondContact OD1-N 2.79Å; R149-Q151 VanDerWaalsContact C-N 3.28Å; R149-Q151 PolarHBondContact O-N 3.41Å; R149-L152 PolarHBondContact O-N 2.7Å; R149-D153 PolarHBondContact O-N 2.75Å
150	S	52.5	Low	45.8	Very low	80 Å²	80	136.8 Å²	136.8	56%	0.559	68%	0.682	S	S	*	*	H	α-helix	trans	-67.7	-29.2	175.4	-73	0	0	0	0	112.8	S146 R154	S146-S150 VanDerWaalsContact O-CB 3.25Å; S146-S150 WeakPolarHBondContact O-CB 3.47Å; S146-S150 PolarHBondContact O-N 2.77Å; S146-S150 PolarHBondContact O-OG 2.97Å; S150-R154 PolarHBondContact O-N 3.43Å; S150-R154 VanDerWaalsContact O-N 3.13Å
151	Q	43.2	Very low	46	Very low	118 Å²	118	129.2 Å²	129.2	55%	0.551	67%	0.671	S	S	*	*	H	α-helix	trans	-69.6	-36.1	174.4	-162.2	179.9	27.3	0	0	112	T147 L148 R149	T147-Q151 VanDerWaalsContact O-CB 3.3Å; T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 PolarHBondContact O-N 3.47Å; L148-Q151 PolarHBondContact O-N 3.4Å; R149-Q151 VanDerWaalsContact C-N 3.28Å; R149-Q151 PolarHBondContact O-N 3.41Å
152	L	54.7	Low	45.7	Very low	125 Å²	125	131 Å²	131	65%	0.654	67%	0.668	S	S	*	*	H	α-helix	trans	-77.5	-35.3	178	-145.8	154.1	0	0	0	112	L148 R149 M155 R156	L148-L152 PolarHBondContact O-N 3.22Å; R149-L152 PolarHBondContact O-N 2.7Å; L152-M155 CarbonylContact O-C 3.49Å; L152-M155 PolarHBondContact O-N 3.16Å; L152-M155 VanDerWaalsContact O-N 3.11Å; L152-R156 PolarHBondContact O-N 2.72Å
153	D	51.6	Low	46.2	Very low	93 Å²	93	131 Å²	131	50%	0.497	67%	0.665	S	S	.	*	H	α-helix	trans	-69.9	-29.9	174.1	-110.8	-52.8	0	0	0	112.9	R149 M155 R156	R149-D153 PolarHBondContact O-N 2.75Å; D153-M155 PolarHBondContact O-N 3.41Å; D153-R156 PolarHBondContact O-N 3.34Å; D153-R156 IonicContact OD1-CZ 3.68Å; D153-R156 IonicContact OD1-NH1 3.33Å; D153-R156 PolarHBondContact OD1-NH1 3.47Å; D153-R156 IonicContact OD2-NH1 3.74Å
154	R	48.6	Very low	46.4	Very low	232 Å²	232	134.1 Å²	134.1	88%	0.875	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-14.5	170.3	-76.9	-159.1	89.8	130.2	3.7	113.9	S150	S150-R154 PolarHBondContact O-N 3.43Å; S150-R154 VanDerWaalsContact O-N 3.13Å
155	M	46.8	Very low	46.3	Very low	128 Å²	128	132.6 Å²	132.6	63%	0.631	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	18	175.5	-71.4	-165.4	-63.8	0	0	113.2	L152 D153 L157	L152-M155 CarbonylContact O-C 3.49Å; L152-M155 PolarHBondContact O-N 3.16Å; L152-M155 VanDerWaalsContact O-N 3.11Å; D153-M155 PolarHBondContact O-N 3.41Å; M155-L157 PolarHBondContact O-N 3.39Å
156	R	42.4	Very low	46.3	Very low	178 Å²	178	137.8 Å²	137.8	67%	0.672	69%	0.691	S	S	*	*			trans	-67.4	69.3	155.3	-86.2	-168.2	161.2	110.4	-2.6	109.2	L152 D153 D158	L152-R156 PolarHBondContact O-N 2.72Å; D153-R156 PolarHBondContact O-N 3.34Å; D153-R156 IonicContact OD1-CZ 3.68Å; D153-R156 IonicContact OD1-NH1 3.33Å; D153-R156 PolarHBondContact OD1-NH1 3.47Å; D153-R156 IonicContact OD2-NH1 3.74Å; R156-D158 PolarHBondContact O-N 3.03Å; R156-D158 VanDerWaalsContact O-N 3.1Å
157	L	50.5	Low	45.8	Very low	153 Å²	153	140 Å²	140	80%	0.801	70%	0.697	S	S	*	*			trans	-52.8	112.9	149.4	-85.6	144.8	0	0	0	104.9	M155 F159	M155-L157 PolarHBondContact O-N 3.39Å; L157-F159 PolarHBondContact O-N 3.23Å
158	D	44.8	Very low	45.4	Very low	150 Å²	150	146 Å²	146	80%	0.802	71%	0.708	S	S	*	*			trans	-47.6	93.6	171.2	-65.4	-62.4	0	0	0	108.4	R156 R160	R156-D158 PolarHBondContact O-N 3.03Å; R156-D158 VanDerWaalsContact O-N 3.1Å; D158-R160 HydrophobicContact CB-CB 4.41Å; D158-R160 PolarHBondContact O-N 3.36Å
159	F	43.1	Very low	45.3	Very low	207 Å²	207	145.9 Å²	145.9	91%	0.908	71%	0.712	S	S	*	*			trans	-74.7	51.4	163.9	-147.5	-90.3	0	0	0	106.9	L157 G161	L157-F159 PolarHBondContact O-N 3.23Å; F159-G161 PolarHBondContact O-N 3.36Å
160	R	36.6	Very low	45.4	Very low	196 Å²	196	142.9 Å²	142.9	74%	0.74	72%	0.715	S	S	*	*			trans	-63.2	107.7	164.1	-171.8	179.8	-172.5	-157.5	1.2	103.3	D158 F162	D158-R160 HydrophobicContact CB-CB 4.41Å; D158-R160 PolarHBondContact O-N 3.36Å; R160-F162 VanDerWaalsContact C-N 3.32Å; R160-F162 PolarHBondContact O-N 2.81Å
161	G	38.7	Very low	45.5	Very low	57 Å²	57	144.4 Å²	144.4	59%	0.588	72%	0.723	S	S	*	*			trans	-47.9	99	177.7	0	0	0	0	0	109.7	F159 T163	F159-G161 PolarHBondContact O-N 3.36Å; G161-T163 PolarHBondContact O-N 3.2Å
162	F	35.6	Very low	45.7	Very low	174 Å²	174	144.8 Å²	144.8	76%	0.763	74%	0.736	S	S	*	*			trans	-76.1	88.2	159	-88.8	-84.9	0	0	0	104.7	R160 V164	R160-F162 VanDerWaalsContact C-N 3.32Å; R160-F162 PolarHBondContact O-N 2.81Å; F162-V164 PolarHBondContact O-N 3.24Å
163	T	44.4	Very low	45.1	Very low	123 Å²	123	149.9 Å²	149.9	76%	0.755	75%	0.748	S	S	*	*			trans	-63.4	93.7	161.4	59.2	0	0	0	0	105.9	G161 S165	G161-T163 PolarHBondContact O-N 3.2Å; T163-S165 PolarHBondContact O-N 3.22Å; T163-S165 VanDerWaalsContact O-N 3.08Å
164	V	49.6	Very low	44.7	Very low	127 Å²	127	148.6 Å²	148.6	77%	0.77	76%	0.756	S	S	*	*			trans	-72.8	101.1	167.6	-73.8	0	0	0	0	106.5	F162 F166	F162-V164 PolarHBondContact O-N 3.24Å; V164-F166 PolarHBondContact O-N 3Å
165	S	41.7	Very low	44.3	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	75%	0.752	S	S	*	*			trans	-61.3	103	164.8	-63.4	0	0	0	0	106.7	T163 D167	T163-S165 PolarHBondContact O-N 3.22Å; T163-S165 VanDerWaalsContact O-N 3.08Å; S165-D167 PolarHBondContact O-N 3.43Å; S165-D167 VanDerWaalsContact O-N 3.1Å
166	F	45	Very low	44	Very low	182 Å²	182	143.2 Å²	143.2	80%	0.798	76%	0.756	S	S	*	*			trans	-73	104.2	171.3	-163.5	-93.5	0	0	0	106.7	V164 R168	V164-F166 PolarHBondContact O-N 3Å; F166-R168 PolarHBondContact O-N 2.99Å
167	D	39.2	Very low	44.2	Very low	116 Å²	116	137.3 Å²	137.3	62%	0.62	75%	0.745	S	S	*	*			trans	-57.7	113.4	169.5	-166.2	-84.8	0	0	0	107.1	S165 T169	S165-D167 PolarHBondContact O-N 3.43Å; S165-D167 VanDerWaalsContact O-N 3.1Å; D167-T169 PolarHBondContact O-N 2.94Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.3Å; D167-T169 PolarHBondContact OD1-OG1 3.28Å
168	R	42.9	Very low	43.9	Very low	233 Å²	233	138.7 Å²	138.7	88%	0.879	75%	0.747	S	S	*	*			trans	-82	53.9	-171.2	-148.9	-178.1	-154.7	-136.7	6.7	108.7	F166 P170	F166-R168 PolarHBondContact O-N 2.99Å; R168-P170 WeakPolarHBondContact O-CD 3.18Å
169	T	48.2	Very low	44	Very low	101 Å²	101	140.9 Å²	140.9	62%	0.62	75%	0.746	S	S	*	*			trans	-92.1	101.6	169.9	28.6	0	0	0	0	107.7	D167 P171	D167-T169 PolarHBondContact O-N 2.94Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.3Å; D167-T169 PolarHBondContact OD1-OG1 3.28Å; T169-P171 WeakPolarHBondContact O-CD 3.25Å
170	P	53.1	Low	44.2	Very low	112 Å²	112	134.1 Å²	134.1	73%	0.727	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.3	125.4	178.3	24.1	-31.8	0	0	0	108.8	R168	R168-P170 WeakPolarHBondContact O-CD 3.18Å
171	P	55.3	Low	45	Very low	113 Å²	113	133.4 Å²	133.4	73%	0.734	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-61.8	145.2	176.3	22.6	-30.1	0	0	0	110.1	T169 Y173	T169-P171 WeakPolarHBondContact O-CD 3.25Å; P171-Y173 PolarHBondContact O-N 2.93Å
172	P	46.2	Very low	45.8	Very low	126 Å²	126	137.8 Å²	137.8	82%	0.818	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-58.1	133	-179	22.6	-31.3	0	0	0	110.2	G174	P172-G174 VanDerWaalsContact C-N 3.33Å; P172-G174 PolarHBondContact O-N 3.11Å
173	Y	43.8	Very low	46.7	Very low	232 Å²	232	134.7 Å²	134.7	91%	0.91	74%	0.736	S	S	*	*			trans	-58.5	85.3	-174.4	-139.6	-98.8	0	0	0	110.7	P171	P171-Y173 PolarHBondContact O-N 2.93Å
174	G	41.9	Very low	47.5	Very low	65 Å²	65	133 Å²	133	67%	0.67	73%	0.727	S	S	*	*			trans	-95	108.2	172.1	0	0	0	0	0	109.5	P172	P172-G174 VanDerWaalsContact C-N 3.33Å; P172-G174 PolarHBondContact O-N 3.11Å
175	D	41.6	Very low	47.8	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	73%	0.729	S	S	*	*			trans	27.8	93.3	161.6	-71.1	-67.5	0	0	0	118	A177	D175-A177 PolarHBondContact O-N 3.35Å
176	S	40.1	Very low	48.3	Very low	102 Å²	102	137.3 Å²	137.3	71%	0.713	72%	0.724	S	S	*	*				34.5	41.9	125.5	-52.7	0	0	0	0	118.7	Q178	S176-Q178 VanDerWaalsContact C-N 3.35Å; S176-Q178 PolarHBondContact O-N 3.3Å; S176-Q178 VanDerWaalsContact O-N 3.16Å
177	A	47.1	Very low	48.9	Very low	54 Å²	54	130.5 Å²	130.5	45%	0.446	70%	0.701	S	S	.	*			trans	-76.9	99	153.4	0	0	0	0	0	105.7	D175 Y179	D175-A177 PolarHBondContact O-N 3.35Å; A177-Y179 HydrophobicContact CB-CD2 4.05Å; A177-Y179 HydrophobicContact CB-CE1 4.4Å; A177-Y179 HydrophobicContact CB-CE2 3.42Å; A177-Y179 VanDerWaalsContact CB-CE2 3.42Å; A177-Y179 WeakPolarHBondContact O-CD2 3.32Å; A177-Y179 PolarHBondContact O-N 2.73Å
178	Q	43.9	Very low	49.8	Very low	181 Å²	181	130.7 Å²	130.7	85%	0.846	70%	0.699	S	S	*	*			trans	-56.2	77.3	168.8	-69.3	-87.8	-10.2	0	0	108.8	S176 A180	S176-Q178 VanDerWaalsContact C-N 3.35Å; S176-Q178 PolarHBondContact O-N 3.3Å; S176-Q178 VanDerWaalsContact O-N 3.16Å; Q178-A180 PolarHBondContact O-N 2.7Å
179	Y	46.4	Very low	50.6	Low	197 Å²	197	124.7 Å²	124.7	77%	0.773	68%	0.683	S	S	*	*			trans	-71	95.9	163.8	-60.3	-74.7	0	0	0	104.5	A177 M181	A177-Y179 HydrophobicContact CB-CD2 4.05Å; A177-Y179 HydrophobicContact CB-CE1 4.4Å; A177-Y179 HydrophobicContact CB-CE2 3.42Å; A177-Y179 VanDerWaalsContact CB-CE2 3.42Å; A177-Y179 WeakPolarHBondContact O-CD2 3.32Å; A177-Y179 PolarHBondContact O-N 2.73Å; Y179-M181 VanDerWaalsContact C-N 3.27Å; Y179-M181 PolarHBondContact O-N 2.78Å
180	A	47.1	Very low	51	Low	64 Å²	64	126.5 Å²	126.5	53%	0.529	68%	0.684	S	S	.	*			trans	-54.1	99.5	170.9	0	0	0	0	0	106.6	Q178 N182 D183	Q178-A180 PolarHBondContact O-N 2.7Å; A180-N182 PolarHBondContact O-N 3.06Å; A180-D183 PolarHBondContact O-N 2.74Å; A180-D183 VanDerWaalsContact O-N 3.16Å
181	M	54	Low	51	Low	182 Å²	182	130.3 Å²	130.3	90%	0.897	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	3.3	-170.1	-137.8	-148	-176.9	0	0	113.2	Y179	Y179-M181 VanDerWaalsContact C-N 3.27Å; Y179-M181 PolarHBondContact O-N 2.78Å
182	N	55	Low	50.9	Low	148 Å²	148	131.8 Å²	131.8	79%	0.791	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	4.4	-174.1	-61	-34.1	0	0	0	113.1	A180 P184	A180-N182 PolarHBondContact O-N 3.06Å; N182-P184 VanDerWaalsContact O-CD 3.22Å; N182-P184 WeakPolarHBondContact O-CD 3.46Å
183	D	54.6	Low	50.9	Low	109 Å²	109	128.7 Å²	128.7	58%	0.583	68%	0.68	S	S	*	*	S	Bend	trans	-75.2	115.4	171.9	-94.9	-21.2	0	0	0	109.3	A180 L185 A187	A180-D183 PolarHBondContact O-N 2.74Å; A180-D183 VanDerWaalsContact O-N 3.16Å; D183-L185 PolarHBondContact O-N 3.03Å; D183-A187 HydrophobicContact CB-CB 4.42Å
184	P	61.8	Low	50.6	Low	87 Å²	87	121.3 Å²	121.3	57%	0.565	67%	0.674	S	S	*	*			trans	-59.5	144	177.9	25	-32.5	0	0	0	109	N182 Y186 A187	N182-P184 VanDerWaalsContact O-CD 3.22Å; N182-P184 WeakPolarHBondContact O-CD 3.46Å; P184-Y186 PolarHBondContact O-N 2.92Å; P184-A187 PolarHBondContact O-N 3.08Å
185	L	55	Low	50.9	Low	153 Å²	153	124.7 Å²	124.7	80%	0.801	68%	0.682	S	S	*	*	H	α-helix	trans	-45.4	-26	-176.7	-149.6	84.2	0	0	0	114.3	D183	D183-L185 PolarHBondContact O-N 3.03Å
186	Y	53	Low	50.7	Low	181 Å²	181	125.7 Å²	125.7	71%	0.71	68%	0.682	S	S	*	*	H	α-helix	trans	-65.8	-33.9	177	-156.4	-97.8	0	0	0	114.1	P184 Q188	P184-Y186 PolarHBondContact O-N 2.92Å; Y186-Q188 VanDerWaalsContact C-N 3.35Å
187	A	57.9	Low	50.7	Low	38 Å²	38	126.8 Å²	126.8	31%	0.314	69%	0.687	S	S	.	*	H	α-helix	trans	-71.4	-29.9	-179.9	0	0	0	0	0	112.4	D183 P184 I189 Q190	D183-A187 HydrophobicContact CB-CB 4.42Å; P184-A187 PolarHBondContact O-N 3.08Å; A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.1Å; A187-Q190 PolarHBondContact O-N 2.76Å
188	Q	57.5	Low	50.4	Low	121 Å²	121	129.7 Å²	129.7	57%	0.565	70%	0.704	S	S	*	*	H	α-helix	trans	-65.5	-35.5	-178.8	-164.5	90.4	-2.8	0	0	112.3	Y186 Q190 K191	Y186-Q188 VanDerWaalsContact C-N 3.35Å; Q188-Q190 VanDerWaalsContact C-N 3.33Å; Q188-Q190 PolarHBondContact O-N 2.89Å; Q188-K191 PolarHBondContact O-N 2.98Å
189	I	58.4	Low	50.1	Low	106 Å²	106	125.8 Å²	125.8	54%	0.544	70%	0.696	S	S	.	*	H	α-helix	trans	-73.7	-26.6	-175.4	-74.2	148.6	0	0	0	112.1	A187 K191 M192	A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.1Å; I189-K191 VanDerWaalsContact C-N 3.27Å; I189-K191 PolarHBondContact O-N 3.39Å; I189-M192 HydrophobicContact CG1-CE 4.08Å
190	Q	57.6	Low	49.9	Very low	140 Å²	140	124.1 Å²	124.1	65%	0.654	70%	0.7	S	S	*	*	H	α-helix	trans	-74.1	-22	174.6	-63.6	-176.5	5.3	0	0	112.2	A187 Q188 M192	A187-Q190 PolarHBondContact O-N 2.76Å; Q188-Q190 VanDerWaalsContact C-N 3.33Å; Q188-Q190 PolarHBondContact O-N 2.89Å; Q190-M192 VanDerWaalsContact C-N 3.31Å; Q190-M192 PolarHBondContact O-N 3.21Å
191	K	52.2	Low	49.6	Very low	192 Å²	192	127.9 Å²	127.9	84%	0.835	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-11.4	-176	-162.5	162.8	-179.3	178.4	0	114.3	Q188 I189	Q188-K191 PolarHBondContact O-N 2.98Å; I189-K191 VanDerWaalsContact C-N 3.27Å; I189-K191 PolarHBondContact O-N 3.39Å
192	M	53.4	Low	49.1	Very low	143 Å²	143	123.8 Å²	123.8	70%	0.704	71%	0.706	S	S	*	*	S	Bend	trans	-120	1.3	-179.4	47.2	-175.7	178.9	0	0	114.4	I189 Q190	I189-M192 HydrophobicContact CG1-CE 4.08Å; Q190-M192 VanDerWaalsContact C-N 3.31Å; Q190-M192 PolarHBondContact O-N 3.21Å
193	G	46.5	Very low	48.5	Very low	62 Å²	62	119.6 Å²	119.6	64%	0.639	69%	0.688	S	S	*	*			trans	-98.9	21.4	-176.9	0	0	0	0	0	115.7	T195	G193-T195 PolarHBondContact O-N 3.46Å
194	G	38.3	Very low	47.8	Very low	77 Å²	77	123.1 Å²	123.1	79%	0.794	70%	0.695	S	S	*	*			trans	-93.1	62.3	-178.6	0	0	0	0	0	113.1
195	T	48.1	Very low	46.5	Very low	136 Å²	136	124.1 Å²	124.1	83%	0.834	71%	0.71	S	S	*	*			trans	-135.5	130.2	167.7	-16.8	0	0	0	0	110	G193	G193-T195 PolarHBondContact O-N 3.46Å
196	Q	37.7	Very low	46	Very low	166 Å²	166	121.6 Å²	121.6	78%	0.776	71%	0.706	S	S	*	*			trans	-49.3	152.8	-158	-82.7	-171	-12.2	0	0	118.2	S198	Q196-S198 PolarHBondContact O-N 3.2Å
197	P	39.5	Very low	45.7	Very low	126 Å²	126	118.1 Å²	118.1	82%	0.818	71%	0.708	S	S	*	*			trans	-73.5	101.1	164.5	31.9	-31.4	0	0	0	110.3	S199	P197-S199 PolarHBondContact O-N 3.2Å
198	S	40	Very low	44.8	Very low	115 Å²	115	123.7 Å²	123.7	80%	0.804	73%	0.731	S	S	*	*			trans	-75.8	118.6	167.3	-68.7	0	0	0	0	110	Q196	Q196-S198 PolarHBondContact O-N 3.2Å
199	S	39.1	Very low	44.2	Very low	98 Å²	98	125.9 Å²	125.9	69%	0.685	74%	0.741	S	S	*	*			trans	-52.8	140.7	179.9	50.2	0	0	0	0	115.8	P197	P197-S199 PolarHBondContact O-N 3.2Å
200	L	41.9	Very low	43.4	Very low	162 Å²	162	128.7 Å²	128.7	85%	0.848	75%	0.752	S	S	*	*			trans	49.6	104.2	134.8	-57.8	167.7	0	0	0	117.7
201	N	40.6	Very low	42.9	Very low	144 Å²	144	133 Å²	133	77%	0.77	76%	0.762	S	S	*	*			trans	-130.9	85.1	140.7	-162	4.8	0	0	0	109.8	S203	N201-S203 PolarHBondContact ND2-OG 3.29Å; N201-S203 PolarHBondContact O-N 3.13Å; N201-S203 VanDerWaalsContact O-N 3.08Å; N201-S203 PolarHBondContact OD1-OG 3.1Å
202	A	42.8	Very low	42.7	Very low	95 Å²	95	127.8 Å²	127.8	79%	0.785	76%	0.755	S	S	*	*			trans	-78	76.5	167.8	0	0	0	0	0	108.5	Y204	A202-Y204 PolarHBondContact O-N 3.11Å; A202-Y204 VanDerWaalsContact O-N 3.11Å
203	S	43.1	Very low	42.5	Very low	61 Å²	61	124.5 Å²	124.5	43%	0.427	76%	0.758	S	S	.	*			trans	-78.6	92.2	169.8	-63	0	0	0	0	109.2	N201	N201-S203 PolarHBondContact ND2-OG 3.29Å; N201-S203 PolarHBondContact O-N 3.13Å; N201-S203 VanDerWaalsContact O-N 3.08Å; N201-S203 PolarHBondContact OD1-OG 3.1Å
204	Y	38.6	Very low	42.5	Very low	183 Å²	183	127.7 Å²	127.7	72%	0.718	76%	0.76	S	S	*	*			trans	26.6	115.4	146.5	53.7	-87.5	0	0	0	118.2	A202 S206	A202-Y204 PolarHBondContact O-N 3.11Å; A202-Y204 VanDerWaalsContact O-N 3.11Å; Y204-S206 PolarHBondContact O-N 3.08Å; Y204-S206 VanDerWaalsContact O-N 3.16Å
205	A	36.2	Very low	43.2	Very low	108 Å²	108	129.1 Å²	129.1	89%	0.893	76%	0.758	S	S	*	*			trans	-53.1	110.7	154.1	0	0	0	0	0	111
206	S	43.6	Very low	43.1	Very low	100 Å²	100	133.7 Å²	133.7	70%	0.699	76%	0.76	S	S	*	*			trans	-148.3	89.2	166.1	-72.6	0	0	0	0	109.2	Y204	Y204-S206 PolarHBondContact O-N 3.08Å; Y204-S206 VanDerWaalsContact O-N 3.16Å
207	S	46.4	Very low	44.1	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	78%	0.783	S	S	*	*			trans	178.7	74.2	145.3	172.9	0	0	0	0	109	H209	S207-H209 PolarHBondContact O-N 3.1Å; S207-H209 VanDerWaalsContact O-N 3.1Å
208	L	39.6	Very low	44.3	Very low	155 Å²	155	136.1 Å²	136.1	81%	0.812	78%	0.781	S	S	*	*			trans	-63.7	97	157.3	-158.9	106.3	0	0	0	107
209	H	45.1	Very low	44.5	Very low	166 Å²	166	137.2 Å²	137.2	77%	0.769	78%	0.78	S	S	*	*			trans	-124	84.2	161.5	-128.7	70.4	0	0	0	109.3	S207	S207-H209 PolarHBondContact O-N 3.1Å; S207-H209 VanDerWaalsContact O-N 3.1Å
210	Q	41.1	Very low	44.8	Very low	166 Å²	166	139.3 Å²	139.3	78%	0.776	79%	0.785	S	S	*	*			trans	-83.2	115.5	168.8	-152	159	20.1	0	0	106.5
211	R	46.2	Very low	45	Very low	229 Å²	229	138 Å²	138	86%	0.864	78%	0.781	S	S	*	*			trans	-147.7	80.8	158.5	-157.5	156.6	179.8	143.5	-1.7	109.6	G213	R211-G213 PolarHBondContact O-N 3.16Å
212	A	48.9	Very low	45.3	Very low	84 Å²	84	137.6 Å²	137.6	69%	0.694	78%	0.782	S	S	*	*			trans	-63.3	107.8	163	0	0	0	0	0	107.8
213	G	49.2	Very low	45.5	Very low	73 Å²	73	140.5 Å²	140.5	75%	0.753	78%	0.782	S	S	*	*			trans	-95.7	66.3	168.9	0	0	0	0	0	109.4	R211 S215	R211-G213 PolarHBondContact O-N 3.16Å; G213-S215 VanDerWaalsContact C-N 3.34Å; G213-S215 PolarHBondContact O-N 3.04Å
214	D	46.8	Very low	45.6	Very low	130 Å²	130	146.1 Å²	146.1	70%	0.695	81%	0.807	S	S	*	*			trans	-78.5	89.4	163.1	-75.9	-70.7	0	0	0	107.7
215	S	52.6	Low	46.2	Very low	107 Å²	107	143.3 Å²	143.3	75%	0.748	81%	0.814	S	S	*	*			trans	-102.3	77.5	169.8	-172.3	0	0	0	0	108.5	G213 V217	G213-S215 VanDerWaalsContact C-N 3.34Å; G213-S215 PolarHBondContact O-N 3.04Å; S215-V217 PolarHBondContact O-N 3.48Å
216	W	46.9	Very low	47	Very low	232 Å²	232	146.3 Å²	146.3	88%	0.879	81%	0.807	S	S	*	*			trans	-89.1	87.2	162.7	-67.6	94.6	0	0	0	108.2
217	V	57.5	Low	47.3	Very low	205 Å²	205	150.5 Å²	150.5	100%	1.242	82%	0.817	S	S	*	*			trans	-142.1	0	155.4	-174.3	0	0	0	0	107.7	S215	S215-V217 PolarHBondContact O-N 3.48Å

Retrieved 217 of 217 residues in 150.2 ms (Link to these results)

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