A0A087YL78_POEFO Loading...

Cyclin dependent kinase 2 interacting protein

AlphaFold DB , UniProt , Accession A0A087YL78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	33.8	Very low	39.2	Very low	182 Å²	182	134.5 Å²	134.5	100%	1.182	79%	0.794	S	S	*	*				0	92	0	23.9	-0.7	0	0	0	110.4
2	M	34.2	Very low	40	Very low	196 Å²	196	126.8 Å²	126.8	97%	0.966	75%	0.746	S	S	*	*			trans	-117.2	106.4	170.4	-76.4	-164.1	150.2	0	0	107.2	S4	M2-S4 PolarHBondContact O-N 3.22Å
3	S	36.5	Very low	41.9	Very low	117 Å²	117	126.2 Å²	126.2	82%	0.818	75%	0.745	S	S	*	*			trans	-73.7	106.9	176.3	177.9	0	0	0	0	108	S5	S3-S5 PolarHBondContact O-N 3.13Å; S3-S5 VanDerWaalsContact O-N 3.13Å
4	S	37	Very low	44.6	Very low	101 Å²	101	121.3 Å²	121.3	71%	0.706	73%	0.734	S	S	*	*			trans	-61.8	102.6	159.4	175.3	0	0	0	0	107.4	M2 N6	M2-S4 PolarHBondContact O-N 3.22Å; S4-N6 PolarHBondContact O-N 2.89Å
5	S	40.1	Very low	47.3	Very low	104 Å²	104	114.1 Å²	114.1	73%	0.727	69%	0.691	S	S	*	*			trans	-74.7	73.3	167.8	55	0	0	0	0	108.4	S3 T7	S3-S5 PolarHBondContact O-N 3.13Å; S3-S5 VanDerWaalsContact O-N 3.13Å; S5-T7 VanDerWaalsContact C-N 3.29Å; S5-T7 PolarHBondContact O-N 3.04Å
6	N	36.1	Very low	49.7	Very low	124 Å²	124	107.8 Å²	107.8	66%	0.663	66%	0.655	S	S	*	*			trans	-73	92	166.2	-154	-2.8	0	0	0	106	S4 K8	S4-N6 PolarHBondContact O-N 2.89Å; N6-K8 PolarHBondContact O-N 2.77Å
7	T	43.4	Very low	52	Low	122 Å²	122	110.4 Å²	110.4	75%	0.748	65%	0.65	S	S	*	*			trans	-62.3	86.5	172.3	-1.6	0	0	0	0	107.2	S5 F9	S5-T7 VanDerWaalsContact C-N 3.29Å; S5-T7 PolarHBondContact O-N 3.04Å; T7-F9 PolarHBondContact O-N 2.82Å
8	K	42.1	Very low	54.2	Low	184 Å²	184	109.2 Å²	109.2	80%	0.8	64%	0.636	S	S	*	*			trans	-59.5	107.8	174.1	-71.7	178.2	179.2	178	0	106.8	N6 S10	N6-K8 PolarHBondContact O-N 2.77Å; K8-S10 VanDerWaalsContact C-N 3.32Å; K8-S10 PolarHBondContact O-N 2.96Å
9	F	44.4	Very low	56.2	Low	163 Å²	163	103.6 Å²	103.6	72%	0.715	60%	0.603	S	S	*	*			trans	-51.5	97.3	167.4	-82.6	-88.1	0	0	0	108.6	T7 A11 I12	T7-F9 PolarHBondContact O-N 2.82Å; F9-A11 PolarHBondContact O-N 2.63Å; F9-I12 HydrophobicContact CD1-CD1 4.13Å
10	S	44.1	Very low	58	Low	100 Å²	100	100.5 Å²	100.5	70%	0.699	58%	0.582	S	S	*	*			trans	-57.3	130.1	165.6	58.3	0	0	0	0	106.9	K8 I12	K8-S10 VanDerWaalsContact C-N 3.32Å; K8-S10 PolarHBondContact O-N 2.96Å; S10-I12 PolarHBondContact O-N 3.17Å
11	A	39.5	Very low	59.7	Low	86 Å²	86	99.5 Å²	99.5	71%	0.711	57%	0.574	S	S	*	*			trans	-38.1	107.4	-179.2	0	0	0	0	0	111.4	F9 T13	F9-A11 PolarHBondContact O-N 2.63Å; A11-T13 PolarHBondContact O-N 3.3Å
12	I	49.4	Very low	62.6	Low	43 Å²	43	91 Å²	91	22%	0.221	52%	0.519	C	S	.	.			trans	-68.8	100.1	-178.6	-54.2	177.7	0	0	0	106.8	F9 S10 A16 R17 K20	F9-I12 HydrophobicContact CD1-CD1 4.13Å; S10-I12 PolarHBondContact O-N 3.17Å; I12-A16 VanDerWaalsContact CG2-C 3.49Å; I12-A16 HydrophobicContact CG2-CB 3.47Å; I12-A16 VanDerWaalsContact CG2-CB 3.47Å; I12-R17 HydrophobicContact CB-CB 4.47Å; I12-R17 HydrophobicContact CG2-CB 3.79Å; I12-K20 HydrophobicContact CD1-CD 4.03Å
13	T	64.7	Low	65.5	Low	119 Å²	119	81.8 Å²	81.8	73%	0.73	47%	0.474	S	S	*	.			trans	-109.5	140.8	176.2	57.8	0	0	0	0	111.2	A11	A11-T13 PolarHBondContact O-N 3.3Å
14	G	79.7	Confident	68.4	Low	57 Å²	57	77.5 Å²	77.5	59%	0.588	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-122	176.7	0	0	0	0	0	114.6	R17 K18	G14-R17 PolarHBondContact O-N 3.3Å; G14-K18 PolarHBondContact O-N 3.17Å
15	S	84.5	Confident	71.2	Confident	14 Å²	14	76.1 Å²	76.1	10%	0.098	43%	0.43	C	S	.	.	H	α-helix	trans	-61.9	-44.4	-168.7	-53.3	0	0	0	0	114.4	R17 K18 I19	S15-R17 VanDerWaalsContact C-N 3.32Å; S15-R17 PolarHBondContact O-N 3.01Å; S15-K18 PolarHBondContact O-N 3.48Å; S15-K18 VanDerWaalsContact O-N 3.13Å; S15-I19 WeakPolarHBondContact O-CG1 3.28Å; S15-I19 PolarHBondContact O-N 3.45Å
16	A	86	Confident	74	Confident	13 Å²	13	71.4 Å²	71.4	11%	0.107	40%	0.396	C	S	.	.	H	α-helix	trans	-65.7	-32.9	-176.1	0	0	0	0	0	112.9	I12 K20 L134	I12-A16 VanDerWaalsContact CG2-C 3.49Å; I12-A16 HydrophobicContact CG2-CB 3.47Å; I12-A16 VanDerWaalsContact CG2-CB 3.47Å; A16-K20 WeakPolarHBondContact O-CG 3.39Å; A16-K20 PolarHBondContact O-N 2.79Å; A16-L134 HydrophobicContact CB-CD2 4.13Å
17	R	88.9	Confident	76.9	Confident	151 Å²	151	67.3 Å²	67.3	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-68.9	-44.9	174	174.8	178.3	-78.3	171.7	-5.3	109.4	I12 G14 S15 I19 K20 D21	I12-R17 HydrophobicContact CB-CB 4.47Å; I12-R17 HydrophobicContact CG2-CB 3.79Å; G14-R17 PolarHBondContact O-N 3.3Å; S15-R17 VanDerWaalsContact C-N 3.32Å; S15-R17 PolarHBondContact O-N 3.01Å; R17-I19 VanDerWaalsContact C-N 3.32Å; R17-I19 PolarHBondContact O-N 3.23Å; R17-K20 WeakPolarHBondContact O-CB 3.36Å; R17-K20 PolarHBondContact O-N 2.88Å; R17-K20 VanDerWaalsContact O-N 3.11Å; R17-D21 PolarHBondContact O-N 3.49Å
18	K	91.7	Very high	79.5	Confident	90 Å²	90	64.9 Å²	64.9	39%	0.391	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-37.8	-179.1	-165	68.5	-175.1	173.6	0	112.5	G14 S15 K20 D21 N22 V113 I117	G14-K18 PolarHBondContact O-N 3.17Å; S15-K18 PolarHBondContact O-N 3.48Å; S15-K18 VanDerWaalsContact O-N 3.13Å; K18-K20 VanDerWaalsContact C-N 3.35Å; K18-D21 PolarHBondContact O-N 2.88Å; K18-N22 WeakPolarHBondContact O-CB 3.48Å; K18-N22 PolarHBondContact O-N 3.27Å; K18-V113 HydrophobicContact CD-CG1 4.22Å; K18-V113 HydrophobicContact CG-CG1 3.79Å; K18-I117 HydrophobicContact CB-CD1 3.87Å; K18-I117 HydrophobicContact CG-CD1 3.76Å; K18-I117 HydrophobicContact CG-CG1 4.48Å
19	I	91.6	Very high	82.2	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-43.2	172.9	-72.2	173.5	0	0	0	111.2	S15 R17 N22 A23 I117 L134 F143 T205	S15-I19 WeakPolarHBondContact O-CG1 3.28Å; S15-I19 PolarHBondContact O-N 3.45Å; R17-I19 VanDerWaalsContact C-N 3.32Å; R17-I19 PolarHBondContact O-N 3.23Å; I19-N22 PolarHBondContact O-N 2.9Å; I19-A23 PolarHBondContact O-N 3.34Å; I19-I117 HydrophobicContact CD1-CG2 4.34Å; I19-I117 HydrophobicContact CG1-CD1 3.93Å; I19-L134 HydrophobicContact CD1-CB 4.23Å; I19-L134 HydrophobicContact CD1-CD1 3.5Å; I19-L134 VanDerWaalsContact CD1-CD1 3.5Å; I19-L134 HydrophobicContact CD1-CG 4.33Å; I19-F143 HydrophobicContact CD1-CD2 3.91Å; I19-F143 HydrophobicContact CD1-CE2 4.31Å; I19-F143 HydrophobicContact CD1-CG 4.41Å; I19-F143 HydrophobicContact CG2-CD1 3.6Å; I19-F143 HydrophobicContact CG2-CD2 3.96Å; I19-F143 HydrophobicContact CG2-CE1 3.62Å; I19-F143 HydrophobicContact CG2-CE2 3.95Å; I19-F143 HydrophobicContact CG2-CG 3.82Å; I19-F143 HydrophobicContact CG2-CZ 3.8Å; I19-T205 HydrophobicContact CG2-CG2 3.9Å
20	K	92.6	Very high	84.7	Confident	41 Å²	41	50 Å²	50	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-46.6	176.9	-69.4	-174.5	177.9	-149.6	0	111.9	I12 A16 R17 K18 N22 A23 A24 T205 H207	I12-K20 HydrophobicContact CD1-CD 4.03Å; A16-K20 WeakPolarHBondContact O-CG 3.39Å; A16-K20 PolarHBondContact O-N 2.79Å; R17-K20 WeakPolarHBondContact O-CB 3.36Å; R17-K20 PolarHBondContact O-N 2.88Å; R17-K20 VanDerWaalsContact O-N 3.11Å; K18-K20 VanDerWaalsContact C-N 3.35Å; K20-N22 VanDerWaalsContact C-N 3.32Å; K20-N22 PolarHBondContact O-N 3.27Å; K20-A23 PolarHBondContact O-N 2.98Å; K20-A24 PolarHBondContact O-N 3.19Å; K20-A24 VanDerWaalsContact O-N 3.08Å; K20-T205 VanDerWaalsContact CE-O 3.23Å; K20-T205 WeakPolarHBondContact CE-O 3.42Å; K20-T205 HydrophobicContact CG-CG2 4.26Å; K20-T205 PolarHBondContact NZ-O 2.97Å; K20-H207 PolarHBondContact O-CE1 2.92Å
21	D	93.9	Very high	87.2	Confident	79 Å²	79	49.6 Å²	49.6	42%	0.422	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-45	177	-62.3	-20.6	0	0	0	110.7	R17 K18 A23 A24 D25	R17-D21 PolarHBondContact O-N 3.49Å; K18-D21 PolarHBondContact O-N 2.88Å; D21-A23 VanDerWaalsContact C-N 3.34Å; D21-A23 PolarHBondContact O-N 3.33Å; D21-A24 PolarHBondContact O-N 2.95Å; D21-D25 PolarHBondContact O-N 3.44Å
22	N	94.7	Very high	90	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-42.3	175.2	-87.4	2.9	0	0	0	112.5	K18 I19 K20 D25 W26 V113	K18-N22 WeakPolarHBondContact O-CB 3.48Å; K18-N22 PolarHBondContact O-N 3.27Å; I19-N22 PolarHBondContact O-N 2.9Å; K20-N22 VanDerWaalsContact C-N 3.32Å; K20-N22 PolarHBondContact O-N 3.27Å; N22-D25 PolarHBondContact O-N 3.49Å; N22-W26 PolarHBondContact O-N 3.03Å; N22-V113 WeakPolarHBondContact ND2-CG1 3.42Å
23	A	95	Very high	92.3	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-40	178.6	0	0	0	0	0	112.3	I19 K20 D21 D25 W26 H27 L201 L202 T205	I19-A23 PolarHBondContact O-N 3.34Å; K20-A23 PolarHBondContact O-N 2.98Å; D21-A23 VanDerWaalsContact C-N 3.34Å; D21-A23 PolarHBondContact O-N 3.33Å; A23-D25 VanDerWaalsContact C-N 3.34Å; A23-W26 PolarHBondContact O-N 3.45Å; A23-H27 PolarHBondContact O-N 3.1Å; A23-L201 HydrophobicContact CB-CD2 3.95Å; A23-L201 HydrophobicContact CB-CG 3.9Å; A23-L202 HydrophobicContact CB-CD2 4.43Å; A23-T205 HydrophobicContact CB-CG2 3.66Å
24	A	96.3	Very high	93.9	Very high	27 Å²	27	44.8 Å²	44.8	22%	0.223	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-41.5	173.2	0	0	0	0	0	111.4	K20 D21 H27 N28	K20-A24 PolarHBondContact O-N 3.19Å; K20-A24 VanDerWaalsContact O-N 3.08Å; D21-A24 PolarHBondContact O-N 2.95Å; A24-H27 PolarHBondContact O-N 2.89Å; A24-N28 VanDerWaalsContact O-CG 3.24Å; A24-N28 PolarHBondContact O-N 3.31Å; A24-N28 PolarHBondContact O-ND2 3.36Å
25	D	97.6	Very high	94.8	Very high	73 Å²	73	48.7 Å²	48.7	39%	0.39	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-40.6	177.4	-76.1	-26.2	0	0	0	112.4	D21 N22 A23 H27 N28 L29 L110	D21-D25 PolarHBondContact O-N 3.44Å; N22-D25 PolarHBondContact O-N 3.49Å; A23-D25 VanDerWaalsContact C-N 3.34Å; D25-H27 VanDerWaalsContact C-N 3.32Å; D25-H27 PolarHBondContact O-N 3.3Å; D25-N28 PolarHBondContact O-N 3.28Å; D25-L29 WeakPolarHBondContact O-CB 3.25Å; D25-L29 VanDerWaalsContact O-CG 3.25Å; D25-L29 WeakPolarHBondContact O-CG 3.42Å; D25-L29 PolarHBondContact O-N 2.73Å; D25-L110 HydrophobicContact CB-CD1 3.89Å; D25-L110 HydrophobicContact CB-CD2 3.82Å; D25-L110 HydrophobicContact CB-CG 4.5Å
26	W	97.4	Very high	95.4	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-54.6	-47.9	171.5	-88.5	114.9	0	0	0	112	N22 A23 L29 M30 M107 L110 M111 S147 L150 L151 L198 L201	N22-W26 PolarHBondContact O-N 3.03Å; A23-W26 PolarHBondContact O-N 3.45Å; W26-L29 PolarHBondContact O-N 2.86Å; W26-M30 PolarHBondContact O-N 3.14Å; W26-M107 HydrophobicContact CE3-CE 4.22Å; W26-M107 HydrophobicContact CE3-CG 4.05Å; W26-M107 HydrophobicContact CE3-SD 4.41Å; W26-M107 HydrophobicContact CH2-CB 3.62Å; W26-M107 HydrophobicContact CH2-CG 3.9Å; W26-M107 HydrophobicContact CH2-SD 4.32Å; W26-M107 HydrophobicContact CZ2-CB 4.43Å; W26-M107 HydrophobicContact CZ3-CB 3.73Å; W26-M107 HydrophobicContact CZ3-CE 3.95Å; W26-M107 HydrophobicContact CZ3-CG 3.44Å; W26-M107 VanDerWaalsContact CZ3-CG 3.44Å; W26-M107 HydrophobicContact CZ3-SD 3.6Å; W26-L110 HydrophobicContact CB-CD1 4.48Å; W26-L110 HydrophobicContact CD2-CD1 3.89Å; W26-L110 HydrophobicContact CG-CD1 3.82Å; W26-L110 HydrophobicContact CZ2-CB 4.39Å; W26-M111 HydrophobicContact CZ2-CG 4.3Å; W26-M111 HydrophobicContact CZ2-SD 4.27Å; W26-S147 PolarHBondContact NE1-OG 3.28Å; W26-L150 HydrophobicContact CD2-CD1 3.89Å; W26-L150 HydrophobicContact CE3-CB 4.07Å; W26-L150 HydrophobicContact CE3-CD1 3.85Å; W26-L150 HydrophobicContact CG-CD1 4.26Å; W26-L150 HydrophobicContact CH2-CB 3.8Å; W26-L150 HydrophobicContact CZ2-CB 4.4Å; W26-L150 HydrophobicContact CZ3-CB 3.6Å; W26-L150 HydrophobicContact CZ3-CD1 4.26Å; W26-L151 HydrophobicContact CH2-CB 3.99Å; W26-L198 HydrophobicContact CB-CD1 3.87Å; W26-L201 HydrophobicContact CB-CD2 4.18Å; W26-L201 HydrophobicContact CG-CD2 4.18Å
27	H	97.3	Very high	96	Very high	39 Å²	39	48.3 Å²	48.3	18%	0.181	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-45.7	177.8	-178.2	63.4	0	0	0	112.1	A23 A24 D25 L29 M30 L31 L202	A23-H27 PolarHBondContact O-N 3.1Å; A24-H27 PolarHBondContact O-N 2.89Å; D25-H27 VanDerWaalsContact C-N 3.32Å; D25-H27 PolarHBondContact O-N 3.3Å; H27-L29 VanDerWaalsContact C-N 3.31Å; H27-L29 PolarHBondContact O-N 2.91Å; H27-M30 PolarHBondContact O-N 2.82Å; H27-L31 WeakPolarHBondContact O-CG 3.45Å; H27-L31 PolarHBondContact O-N 3.17Å; H27-L202 HydrophobicContact CB-CD1 4.15Å; H27-L202 HydrophobicContact CB-CD2 4.08Å
28	N	98.1	Very high	96.5	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-62.4	-38.3	178.4	-71.4	-32.1	0	0	0	112.5	A24 D25 K32	A24-N28 VanDerWaalsContact O-CG 3.24Å; A24-N28 PolarHBondContact O-N 3.31Å; A24-N28 PolarHBondContact O-ND2 3.36Å; D25-N28 PolarHBondContact O-N 3.28Å; N28-K32 VanDerWaalsContact O-CG 3.28Å; N28-K32 WeakPolarHBondContact O-CG 3.04Å; N28-K32 PolarHBondContact O-N 3.27Å
29	L	98.3	Very high	96.8	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-40.8	176.2	-70.5	174.4	0	0	0	111.3	D25 W26 H27 K32 W33 I103 K106 M107 L110	D25-L29 WeakPolarHBondContact O-CB 3.25Å; D25-L29 VanDerWaalsContact O-CG 3.25Å; D25-L29 WeakPolarHBondContact O-CG 3.42Å; D25-L29 PolarHBondContact O-N 2.73Å; W26-L29 PolarHBondContact O-N 2.86Å; H27-L29 VanDerWaalsContact C-N 3.31Å; H27-L29 PolarHBondContact O-N 2.91Å; L29-K32 PolarHBondContact O-N 2.99Å; L29-W33 WeakPolarHBondContact O-CB 3.1Å; L29-W33 PolarHBondContact O-N 2.81Å; L29-I103 HydrophobicContact CB-CG2 4.22Å; L29-I103 HydrophobicContact CD2-CG2 4.3Å; L29-K106 HydrophobicContact CD1-CB 3.83Å; L29-K106 HydrophobicContact CD2-CB 3.85Å; L29-K106 HydrophobicContact CD2-CD 3.83Å; L29-M107 HydrophobicContact CB-CE 3.92Å; L29-M107 HydrophobicContact CB-CG 4.46Å; L29-M107 HydrophobicContact CD1-CG 3.77Å; L29-L110 HydrophobicContact CD1-CD1 3.66Å; L29-L110 HydrophobicContact CD1-CG 4.39Å
30	M	96.5	Very high	97.1	Very high	25 Å²	25	44.1 Å²	44.1	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-45.3	175.5	-173	179.1	79.3	0	0	111.8	W26 H27 K32 W33 E34 F154 L198	W26-M30 PolarHBondContact O-N 3.14Å; H27-M30 PolarHBondContact O-N 2.82Å; M30-K32 VanDerWaalsContact C-N 3.29Å; M30-K32 PolarHBondContact O-N 3.18Å; M30-W33 WeakPolarHBondContact O-CB 3.29Å; M30-W33 PolarHBondContact O-N 3.21Å; M30-W33 VanDerWaalsContact O-N 3.13Å; M30-E34 WeakPolarHBondContact O-CG 3.16Å; M30-E34 PolarHBondContact O-N 2.89Å; M30-F154 HydrophobicContact CB-CZ 4.46Å; M30-F154 HydrophobicContact CG-CZ 3.97Å; M30-L198 HydrophobicContact CB-CD2 4.16Å; M30-L198 HydrophobicContact CE-CD2 3.29Å; M30-L198 HydrophobicContact CG-CD2 4.39Å; M30-L198 HydrophobicContact SD-CD2 3.33Å; M30-L198 WeakPolarHBondContact SD-CD2 3.29Å
31	L	96.9	Very high	97.4	Very high	91 Å²	91	44.5 Å²	44.5	48%	0.476	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-39.8	176.7	-70.9	179.2	0	0	0	112.4	H27 W33 K35	H27-L31 WeakPolarHBondContact O-CG 3.45Å; H27-L31 PolarHBondContact O-N 3.17Å; L31-W33 VanDerWaalsContact C-N 3.35Å; L31-K35 PolarHBondContact O-N 3.04Å
32	K	98.4	Very high	97.6	Very high	114 Å²	114	46.5 Å²	46.5	50%	0.496	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-38.6	175.6	-72	169	-173	170.6	0	111.7	N28 L29 M30 L36 I103	N28-K32 VanDerWaalsContact O-CG 3.28Å; N28-K32 WeakPolarHBondContact O-CG 3.04Å; N28-K32 PolarHBondContact O-N 3.27Å; L29-K32 PolarHBondContact O-N 2.99Å; M30-K32 VanDerWaalsContact C-N 3.29Å; M30-K32 PolarHBondContact O-N 3.18Å; K32-L36 WeakPolarHBondContact O-CG 3.07Å; K32-L36 PolarHBondContact O-N 3.12Å; K32-L36 VanDerWaalsContact O-N 3.09Å; K32-I103 HydrophobicContact CB-CD1 3.74Å
33	W	98.6	Very high	97.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-49.6	176.4	176.8	-81	0	0	0	111.4	L29 M30 L31 K35 L36 N37 M100 I103 V104 F154 E157 L158 K161 I190	L29-W33 WeakPolarHBondContact O-CB 3.1Å; L29-W33 PolarHBondContact O-N 2.81Å; M30-W33 WeakPolarHBondContact O-CB 3.29Å; M30-W33 PolarHBondContact O-N 3.21Å; M30-W33 VanDerWaalsContact O-N 3.13Å; L31-W33 VanDerWaalsContact C-N 3.35Å; W33-K35 VanDerWaalsContact C-N 3.3Å; W33-K35 PolarHBondContact O-N 3.33Å; W33-L36 CarbonylContact O-C 3.47Å; W33-L36 PolarHBondContact O-N 3.33Å; W33-L36 VanDerWaalsContact O-N 3.11Å; W33-N37 WeakPolarHBondContact O-CB 3.43Å; W33-N37 PolarHBondContact O-N 3.44Å; W33-M100 HydrophobicContact CE3-CB 4.14Å; W33-M100 HydrophobicContact CE3-CG 4.14Å; W33-M100 HydrophobicContact CH2-CB 4.18Å; W33-M100 HydrophobicContact CH2-CG 4.38Å; W33-M100 HydrophobicContact CH2-SD 4.15Å; W33-M100 HydrophobicContact CZ2-SD 4.34Å; W33-M100 HydrophobicContact CZ3-CB 3.64Å; W33-M100 HydrophobicContact CZ3-CG 3.99Å; W33-M100 HydrophobicContact CZ3-SD 4.36Å; W33-I103 HydrophobicContact CB-CD1 4.17Å; W33-I103 HydrophobicContact CB-CG2 4.46Å; W33-I103 HydrophobicContact CE3-CB 4.38Å; W33-I103 HydrophobicContact CE3-CG2 4.07Å; W33-V104 HydrophobicContact CZ3-CG2 3.8Å; W33-F154 HydrophobicContact CB-CE1 4.1Å; W33-F154 AromaticContact CD1-CE1 3.59Å; W33-F154 AromaticContact CD2-CD1 3.61Å; W33-F154 HydrophobicContact CD2-CD1 3.61Å; W33-F154 AromaticContact CD2-CE1 3.82Å; W33-F154 HydrophobicContact CD2-CE1 3.82Å; W33-F154 AromaticContact CE2-CD1 3.76Å; W33-F154 AromaticContact CE3-CD1 3.96Å; W33-F154 HydrophobicContact CE3-CD1 3.96Å; W33-F154 AromaticContact CG-CD1 3.89Å; W33-F154 HydrophobicContact CG-CD1 3.89Å; W33-F154 AromaticContact CG-CE1 3.56Å; W33-F154 HydrophobicContact CG-CE1 3.56Å; W33-F154 HydrophobicContact CZ2-CD1 4.24Å; W33-F154 HydrophobicContact CZ3-CD1 4.41Å; W33-F154 AromaticContact NE1-CE1 3.84Å; W33-E157 HydrophobicContact CZ2-CB 4.16Å; W33-E157 HydrophobicContact CZ2-CG 3.72Å; W33-L158 HydrophobicContact CH2-CB 3.96Å; W33-L158 HydrophobicContact CH2-CD1 4.4Å; W33-L158 HydrophobicContact CZ3-CB 4.44Å; W33-K161 HydrophobicContact CZ2-CD 4.11Å; W33-I190 HydrophobicContact CZ2-CD1 4.26Å
34	E	97.5	Very high	97.9	Very high	33 Å²	33	47.8 Å²	47.8	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-41.8	-179.7	-65.2	-70.3	-172.9	0	0	111.3	M30 L36 N37 D38 Q187 R195	M30-E34 WeakPolarHBondContact O-CG 3.16Å; M30-E34 PolarHBondContact O-N 2.89Å; E34-L36 PolarHBondContact O-N 3.28Å; E34-N37 WeakPolarHBondContact O-CB 3.44Å; E34-N37 PolarHBondContact O-N 2.9Å; E34-N37 VanDerWaalsContact O-N 3.13Å; E34-D38 PolarHBondContact O-N 3.36Å; E34-Q187 PolarHBondContact OE2-NE2 3.37Å; E34-R195 IonicContact OE1-CZ 3.74Å; E34-R195 IonicContact OE1-NE 3.83Å; E34-R195 IonicContact OE1-NH2 2.86Å; E34-R195 PolarHBondContact OE1-NH2 3.24Å; E34-R195 IonicContact OE2-NH2 3.76Å
35	K	98.4	Very high	98	Very high	139 Å²	139	48.2 Å²	48.2	60%	0.604	24%	0.236	S	C	*	.	H	α-helix	trans	-60.1	-46.2	174.2	-176.3	178.9	178.3	179.1	0	112.4	L31 W33 N37 D38 D39	L31-K35 PolarHBondContact O-N 3.04Å; W33-K35 VanDerWaalsContact C-N 3.3Å; W33-K35 PolarHBondContact O-N 3.33Å; K35-N37 VanDerWaalsContact C-N 3.26Å; K35-N37 PolarHBondContact O-N 2.88Å; K35-D38 PolarHBondContact O-N 3.17Å; K35-D39 PolarHBondContact O-N 3.27Å
36	L	98.6	Very high	97.9	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-34.5	176.4	-72.5	176.7	0	0	0	111.6	K32 W33 E34 G40 V96 R99 M100 I103	K32-L36 WeakPolarHBondContact O-CG 3.07Å; K32-L36 PolarHBondContact O-N 3.12Å; K32-L36 VanDerWaalsContact O-N 3.09Å; W33-L36 CarbonylContact O-C 3.47Å; W33-L36 PolarHBondContact O-N 3.33Å; W33-L36 VanDerWaalsContact O-N 3.11Å; E34-L36 PolarHBondContact O-N 3.28Å; L36-G40 PolarHBondContact O-N 3.05Å; L36-V96 HydrophobicContact CB-CG1 4.16Å; L36-V96 HydrophobicContact CD2-CG1 4.44Å; L36-V96 WeakPolarHBondContact O-CG1 3.43Å; L36-R99 HydrophobicContact CD1-CB 3.63Å; L36-R99 HydrophobicContact CD2-CB 4.04Å; L36-M100 VanDerWaalsContact C-CE 3.45Å; L36-M100 HydrophobicContact CB-CE 3.76Å; L36-M100 HydrophobicContact CB-CG 4.06Å; L36-M100 HydrophobicContact CD1-CG 3.93Å; L36-I103 HydrophobicContact CD1-CD1 3.51Å; L36-I103 HydrophobicContact CD1-CG1 4.39Å
37	N	98.4	Very high	97.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.011	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-47.2	176.5	-177.5	70.8	0	0	0	111.2	W33 E34 K35 G40 F41 M100 K161 W184 Q187	W33-N37 WeakPolarHBondContact O-CB 3.43Å; W33-N37 PolarHBondContact O-N 3.44Å; E34-N37 WeakPolarHBondContact O-CB 3.44Å; E34-N37 PolarHBondContact O-N 2.9Å; E34-N37 VanDerWaalsContact O-N 3.13Å; K35-N37 VanDerWaalsContact C-N 3.26Å; K35-N37 PolarHBondContact O-N 2.88Å; N37-G40 PolarHBondContact O-N 3.46Å; N37-F41 WeakPolarHBondContact O-CB 3.33Å; N37-F41 PolarHBondContact O-N 3.05Å; N37-M100 VanDerWaalsContact CA-CE 3.49Å; N37-M100 HydrophobicContact CB-CE 4.11Å; N37-K161 VanDerWaalsContact OD1-CE 3.28Å; N37-K161 WeakPolarHBondContact OD1-CE 3.1Å; N37-K161 PolarHBondContact OD1-NZ 3.08Å; N37-W184 PolarHBondContact O-NE1 2.86Å; N37-W184 PolarHBondContact OD1-O 3.24Å; N37-W184 VanDerWaalsContact OD1-O 3.12Å; N37-Q187 PolarHBondContact ND2-NE2 3.34Å
38	D	98.4	Very high	97.8	Very high	95 Å²	95	45.5 Å²	45.5	51%	0.508	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-47	177.4	-65.7	-21.5	0	0	0	111.6	E34 K35 G40 F41 Q42	E34-D38 PolarHBondContact O-N 3.36Å; K35-D38 PolarHBondContact O-N 3.17Å; D38-G40 VanDerWaalsContact C-N 3.34Å; D38-G40 PolarHBondContact O-N 3.42Å; D38-F41 PolarHBondContact O-N 3.43Å; D38-Q42 WeakPolarHBondContact O-CG 3.49Å; D38-Q42 PolarHBondContact O-N 3.17Å
39	D	98.2	Very high	97.6	Very high	61 Å²	61	46.6 Å²	46.6	33%	0.326	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-45.9	176.4	-71.8	-18.6	0	0	0	110.8	K35 F41 Q42 F43 V96	K35-D39 PolarHBondContact O-N 3.27Å; D39-F41 VanDerWaalsContact C-N 3.34Å; D39-F41 PolarHBondContact O-N 2.84Å; D39-Q42 WeakPolarHBondContact O-CB 3.43Å; D39-Q42 PolarHBondContact O-N 2.85Å; D39-F43 HydrophobicContact CB-CE2 4.4Å; D39-F43 VanDerWaalsContact O-CD2 3.23Å; D39-F43 WeakPolarHBondContact O-CD2 3.3Å; D39-F43 PolarHBondContact O-N 3.03Å; D39-V96 HydrophobicContact CB-CG2 4.37Å
40	G	98.4	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-34.4	178.4	0	0	0	0	0	113.3	L36 N37 D38 Q42 F43 A44 L93	L36-G40 PolarHBondContact O-N 3.05Å; N37-G40 PolarHBondContact O-N 3.46Å; D38-G40 VanDerWaalsContact C-N 3.34Å; D38-G40 PolarHBondContact O-N 3.42Å; G40-Q42 VanDerWaalsContact C-N 3.31Å; G40-Q42 PolarHBondContact O-N 2.76Å; G40-F43 PolarHBondContact O-N 2.75Å; G40-A44 VanDerWaalsContact O-CB 3.3Å; G40-A44 WeakPolarHBondContact O-CB 3.23Å; G40-A44 PolarHBondContact O-N 3.34Å; G40-L93 WeakPolarHBondContact O-CD1 3.47Å
41	F	98.5	Very high	96.9	Very high	49 Å²	49	50.3 Å²	50.3	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-38.3	177.6	-176.3	-111.7	0	0	0	111.5	N37 D38 D39 T45 L181 W184 L185	N37-F41 WeakPolarHBondContact O-CB 3.33Å; N37-F41 PolarHBondContact O-N 3.05Å; D38-F41 PolarHBondContact O-N 3.43Å; D39-F41 VanDerWaalsContact C-N 3.34Å; D39-F41 PolarHBondContact O-N 2.84Å; F41-T45 WeakPolarHBondContact O-CB 3.38Å; F41-T45 PolarHBondContact O-N 3.4Å; F41-T45 PolarHBondContact O-OG1 2.84Å; F41-L181 HydrophobicContact CE2-CB 4.14Å; F41-L181 HydrophobicContact CE2-CD2 4.25Å; F41-L181 WeakPolarHBondContact CE2-O 3.31Å; F41-W184 HydrophobicContact CD2-CB 4.26Å; F41-W184 AromaticContact CD2-CD1 3.88Å; F41-W184 HydrophobicContact CD2-CG 4.31Å; F41-W184 VanDerWaalsContact N-NE1 3.15Å; F41-L185 HydrophobicContact CD1-CD1 4.18Å; F41-L185 HydrophobicContact CD2-CB 4.02Å; F41-L185 HydrophobicContact CD2-CD1 4.47Å; F41-L185 HydrophobicContact CE1-CD1 4.05Å; F41-L185 HydrophobicContact CE2-CB 3.69Å; F41-L185 HydrophobicContact CE2-CD1 4.37Å; F41-L185 HydrophobicContact CE2-CG 4.41Å; F41-L185 HydrophobicContact CG-CD1 4.38Å; F41-L185 HydrophobicContact CZ-CB 4.12Å; F41-L185 HydrophobicContact CZ-CD1 4.15Å; F41-L185 HydrophobicContact CZ-CD2 4.13Å; F41-L185 HydrophobicContact CZ-CG 4.37Å
42	Q	98.3	Very high	96.5	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.561	24%	0.236	S	C	*	.	H	α-helix	trans	-60.5	-50.9	174.2	-68.2	-80.2	-18.8	0	0	111.1	D38 D39 G40 A44 T45 N46	D38-Q42 WeakPolarHBondContact O-CG 3.49Å; D38-Q42 PolarHBondContact O-N 3.17Å; D39-Q42 WeakPolarHBondContact O-CB 3.43Å; D39-Q42 PolarHBondContact O-N 2.85Å; G40-Q42 VanDerWaalsContact C-N 3.31Å; G40-Q42 PolarHBondContact O-N 2.76Å; Q42-A44 PolarHBondContact O-N 3.17Å; Q42-T45 PolarHBondContact O-N 2.54Å; Q42-N46 VanDerWaalsContact O-CG 3.29Å; Q42-N46 PolarHBondContact O-N 3.26Å; Q42-N46 PolarHBondContact O-ND2 3.02Å
43	F	98.2	Very high	95.9	Very high	32 Å²	32	49.4 Å²	49.4	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-42.1	178.8	-55.8	-38.4	0	0	0	112.2	D39 G40 T45 N46 I47 E89 R92 L93 V96	D39-F43 HydrophobicContact CB-CE2 4.4Å; D39-F43 VanDerWaalsContact O-CD2 3.23Å; D39-F43 WeakPolarHBondContact O-CD2 3.3Å; D39-F43 PolarHBondContact O-N 3.03Å; G40-F43 PolarHBondContact O-N 2.75Å; F43-T45 VanDerWaalsContact C-N 3.3Å; F43-T45 PolarHBondContact O-N 3.22Å; F43-N46 PolarHBondContact O-N 3.49Å; F43-I47 VanDerWaalsContact O-CG1 3.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.2Å; F43-I47 PolarHBondContact O-N 3.47Å; F43-E89 WeakPolarHBondContact CD1-OE2 3.44Å; F43-R92 HydrophobicContact CD1-CB 4.25Å; F43-R92 HydrophobicContact CD2-CB 3.94Å; F43-R92 HydrophobicContact CE1-CB 4.42Å; F43-R92 VanDerWaalsContact CE1-NE 3.26Å; F43-R92 HydrophobicContact CE2-CB 4.06Å; F43-R92 HydrophobicContact CG-CB 4.06Å; F43-R92 HydrophobicContact CZ-CB 4.32Å; F43-L93 HydrophobicContact CB-CB 4.15Å; F43-L93 HydrophobicContact CB-CD1 4.3Å; F43-V96 HydrophobicContact CD2-CG2 3.87Å; F43-V96 HydrophobicContact CE2-CG2 3.74Å
44	A	97.9	Very high	95.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-42.2	175.6	0	0	0	0	0	111.9	G40 Q42 I47 V48 L93 L168 L181	G40-A44 VanDerWaalsContact O-CB 3.3Å; G40-A44 WeakPolarHBondContact O-CB 3.23Å; G40-A44 PolarHBondContact O-N 3.34Å; Q42-A44 PolarHBondContact O-N 3.17Å; A44-I47 PolarHBondContact O-N 3.41Å; A44-V48 WeakPolarHBondContact O-CG2 3.03Å; A44-V48 PolarHBondContact O-N 2.97Å; A44-V48 VanDerWaalsContact O-N 3.08Å; A44-L93 HydrophobicContact CB-CD1 4.45Å; A44-L93 HydrophobicContact CB-CD2 4.36Å; A44-L168 HydrophobicContact CB-CD2 3.58Å; A44-L181 HydrophobicContact CB-CD2 3.84Å
45	T	97.6	Very high	94.5	Very high	36 Å²	36	55.2 Å²	55.2	22%	0.221	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-43.1	176.9	-59.7	0	0	0	0	111.5	F41 Q42 F43 V48 N49	F41-T45 WeakPolarHBondContact O-CB 3.38Å; F41-T45 PolarHBondContact O-N 3.4Å; F41-T45 PolarHBondContact O-OG1 2.84Å; Q42-T45 PolarHBondContact O-N 2.54Å; F43-T45 VanDerWaalsContact C-N 3.3Å; F43-T45 PolarHBondContact O-N 3.22Å; T45-V48 PolarHBondContact O-N 3.28Å; T45-N49 WeakPolarHBondContact O-CB 3.46Å; T45-N49 VanDerWaalsContact O-CG 3.24Å; T45-N49 PolarHBondContact O-N 2.95Å; T45-N49 PolarHBondContact O-ND2 3.08Å
46	N	96.7	Very high	93.7	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-45.8	176.6	-66.9	-19.3	0	0	0	111.8	Q42 F43 V48 N49 M50 E89	Q42-N46 VanDerWaalsContact O-CG 3.29Å; Q42-N46 PolarHBondContact O-N 3.26Å; Q42-N46 PolarHBondContact O-ND2 3.02Å; F43-N46 PolarHBondContact O-N 3.49Å; N46-V48 PolarHBondContact O-N 3.41Å; N46-N49 PolarHBondContact O-N 3.19Å; N46-M50 WeakPolarHBondContact O-CB 3.48Å; N46-M50 VanDerWaalsContact O-CG 3.31Å; N46-M50 WeakPolarHBondContact O-CG 3.5Å; N46-M50 PolarHBondContact O-N 3.44Å; N46-E89 HydrophobicContact CB-CG 4.19Å; N46-E89 WeakPolarHBondContact CB-OE2 3.3Å; N46-E89 PolarHBondContact ND2-OE2 3.02Å
47	I	96.1	Very high	92.8	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-55.6	-50.4	176.7	-70.7	164.8	0	0	0	110.4	F43 A44 N49 M50 R51 L86 E89 L93 L168 A169	F43-I47 VanDerWaalsContact O-CG1 3.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.2Å; F43-I47 PolarHBondContact O-N 3.47Å; A44-I47 PolarHBondContact O-N 3.41Å; I47-N49 PolarHBondContact O-N 3.23Å; I47-M50 PolarHBondContact O-N 3.38Å; I47-R51 VanDerWaalsContact O-CB 3.3Å; I47-R51 WeakPolarHBondContact O-CB 3.31Å; I47-R51 PolarHBondContact O-N 3.19Å; I47-L86 HydrophobicContact CB-CD1 4.34Å; I47-L86 HydrophobicContact CG1-CD1 4.37Å; I47-L86 HydrophobicContact CG2-CD1 3.99Å; I47-E89 HydrophobicContact CD1-CB 4.35Å; I47-E89 HydrophobicContact CG1-CB 3.7Å; I47-L93 HydrophobicContact CD1-CB 4.06Å; I47-L93 HydrophobicContact CD1-CD2 3.69Å; I47-L168 HydrophobicContact CB-CD2 4.15Å; I47-L168 HydrophobicContact CD1-CD2 4.24Å; I47-L168 HydrophobicContact CG2-CD2 3.99Å; I47-L168 HydrophobicContact CG2-CG 3.97Å; I47-A169 HydrophobicContact CG2-CB 4.15Å
48	V	95.1	Very high	91.8	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-44.7	179.2	168.2	0	0	0	0	111.4	A44 T45 N46 R51 N52 L168 H177 L181	A44-V48 WeakPolarHBondContact O-CG2 3.03Å; A44-V48 PolarHBondContact O-N 2.97Å; A44-V48 VanDerWaalsContact O-N 3.08Å; T45-V48 PolarHBondContact O-N 3.28Å; N46-V48 PolarHBondContact O-N 3.41Å; V48-R51 PolarHBondContact O-N 3.18Å; V48-N52 WeakPolarHBondContact O-CB 3.41Å; V48-N52 VanDerWaalsContact O-CG 3.24Å; V48-N52 PolarHBondContact O-N 3.44Å; V48-N52 PolarHBondContact O-ND2 2.96Å; V48-L168 HydrophobicContact CG2-CD1 3.57Å; V48-L168 HydrophobicContact CG2-CD2 4.48Å; V48-L168 HydrophobicContact CG2-CG 4.06Å; V48-H177 HydrophobicContact CB-CB 4.49Å; V48-H177 HydrophobicContact CG1-CB 3.69Å; V48-H177 HydrophobicContact CG2-CB 3.94Å; V48-L181 HydrophobicContact CB-CD1 4.17Å; V48-L181 HydrophobicContact CG1-CD1 4.11Å; V48-L181 HydrophobicContact CG2-CD1 4.08Å; V48-L181 HydrophobicContact CG2-CD2 4.16Å; V48-L181 HydrophobicContact CG2-CG 4.1Å
49	N	93.6	Very high	90.9	Very high	92 Å²	92	56.1 Å²	56.1	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-45.9	179.1	-72.6	-25.2	0	0	0	111.8	T45 N46 I47 R51 N52 F53	T45-N49 WeakPolarHBondContact O-CB 3.46Å; T45-N49 VanDerWaalsContact O-CG 3.24Å; T45-N49 PolarHBondContact O-N 2.95Å; T45-N49 PolarHBondContact O-ND2 3.08Å; N46-N49 PolarHBondContact O-N 3.19Å; I47-N49 PolarHBondContact O-N 3.23Å; N49-R51 VanDerWaalsContact C-N 3.33Å; N49-R51 PolarHBondContact O-N 2.95Å; N49-N52 PolarHBondContact O-N 2.91Å; N49-F53 WeakPolarHBondContact O-CB 3.4Å; N49-F53 PolarHBondContact O-N 3.4Å
50	M	92.1	Very high	89.5	Confident	49 Å²	49	57.7 Å²	57.7	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-42.4	175.4	-71.4	178	178.8	0	0	111.1	N46 I47 F53 I54 E85 L86 E89	N46-M50 WeakPolarHBondContact O-CB 3.48Å; N46-M50 VanDerWaalsContact O-CG 3.31Å; N46-M50 WeakPolarHBondContact O-CG 3.5Å; N46-M50 PolarHBondContact O-N 3.44Å; I47-M50 PolarHBondContact O-N 3.38Å; M50-F53 PolarHBondContact O-N 2.89Å; M50-I54 VanDerWaalsContact O-CG1 3.29Å; M50-I54 WeakPolarHBondContact O-CG1 3.13Å; M50-I54 PolarHBondContact O-N 3.34Å; M50-E85 HydrophobicContact CE-CB 4.16Å; M50-E85 HydrophobicContact SD-CB 4.43Å; M50-L86 HydrophobicContact CB-CD1 4.14Å; M50-L86 HydrophobicContact SD-CB 4.39Å; M50-L86 HydrophobicContact SD-CD1 4.44Å; M50-E89 HydrophobicContact CE-CG 3.92Å; M50-E89 HydrophobicContact SD-CG 4.14Å
51	R	89.9	Confident	87.9	Confident	65 Å²	65	63.2 Å²	63.2	25%	0.245	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-46.6	-179.8	-169.7	62.1	175.8	155.7	-3.1	112.1	I47 V48 N49 F53 I54 F55 A169 T171	I47-R51 VanDerWaalsContact O-CB 3.3Å; I47-R51 WeakPolarHBondContact O-CB 3.31Å; I47-R51 PolarHBondContact O-N 3.19Å; V48-R51 PolarHBondContact O-N 3.18Å; N49-R51 VanDerWaalsContact C-N 3.33Å; N49-R51 PolarHBondContact O-N 2.95Å; R51-F53 VanDerWaalsContact C-N 3.29Å; R51-F53 PolarHBondContact O-N 3.13Å; R51-I54 PolarHBondContact O-N 3.47Å; R51-F55 WeakPolarHBondContact O-CB 3.19Å; R51-F55 PolarHBondContact O-N 3.26Å; R51-A169 PolarHBondContact NE-O 3.26Å; R51-T171 PolarHBondContact NE-O 2.71Å
52	N	87.4	Confident	86.1	Confident	61 Å²	61	67.8 Å²	67.8	33%	0.326	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-39.8	176	-70.4	-19.3	0	0	0	111.4	V48 N49 F55 F56 H177	V48-N52 WeakPolarHBondContact O-CB 3.41Å; V48-N52 VanDerWaalsContact O-CG 3.24Å; V48-N52 PolarHBondContact O-N 3.44Å; V48-N52 PolarHBondContact O-ND2 2.96Å; N49-N52 PolarHBondContact O-N 2.91Å; N52-F55 PolarHBondContact O-N 3.41Å; N52-F56 WeakPolarHBondContact O-CB 3.29Å; N52-F56 PolarHBondContact O-N 3.2Å; N52-H177 PolarHBondContact OD1-ND1 3.11Å
53	F	86.3	Confident	84.3	Confident	125 Å²	125	69.8 Å²	69.8	55%	0.548	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-46.1	175.7	-178.7	-105.4	0	0	0	112.4	N49 M50 R51 F55 F56 L57	N49-F53 WeakPolarHBondContact O-CB 3.4Å; N49-F53 PolarHBondContact O-N 3.4Å; M50-F53 PolarHBondContact O-N 2.89Å; R51-F53 VanDerWaalsContact C-N 3.29Å; R51-F53 PolarHBondContact O-N 3.13Å; F53-F55 VanDerWaalsContact C-N 3.32Å; F53-F55 PolarHBondContact O-N 3.36Å; F53-F56 PolarHBondContact O-N 3.1Å; F53-L57 HydrophobicContact CD1-CD1 3.88Å; F53-L57 HydrophobicContact CD1-CG 4.45Å; F53-L57 HydrophobicContact CE1-CD1 3.32Å; F53-L57 HydrophobicContact CE1-CG 4.1Å; F53-L57 HydrophobicContact CE2-CD1 4.41Å; F53-L57 HydrophobicContact CE2-CG 4.38Å; F53-L57 HydrophobicContact CZ-CD1 3.63Å; F53-L57 HydrophobicContact CZ-CD2 4.25Å; F53-L57 HydrophobicContact CZ-CG 4.06Å; F53-L57 WeakPolarHBondContact O-CG 3.43Å; F53-L57 PolarHBondContact O-N 3.29Å
54	I	83.9	Confident	82.2	Confident	43 Å²	43	75.3 Å²	75.3	22%	0.221	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-43.3	176.2	-70.1	164.8	0	0	0	110.8	M50 R51 L57 S58 L86	M50-I54 VanDerWaalsContact O-CG1 3.29Å; M50-I54 WeakPolarHBondContact O-CG1 3.13Å; M50-I54 PolarHBondContact O-N 3.34Å; R51-I54 PolarHBondContact O-N 3.47Å; I54-L57 PolarHBondContact O-N 2.96Å; I54-S58 WeakPolarHBondContact O-CB 2.87Å; I54-S58 PolarHBondContact O-N 3.38Å; I54-S58 PolarHBondContact O-OG 2.88Å; I54-L86 HydrophobicContact CD1-CD2 4.17Å
55	F	83	Confident	80.1	Confident	111 Å²	111	79.5 Å²	79.5	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-48.8	176.8	-177.5	-98.9	0	0	0	111.3	R51 N52 F53 L57 S58 S59	R51-F55 WeakPolarHBondContact O-CB 3.19Å; R51-F55 PolarHBondContact O-N 3.26Å; N52-F55 PolarHBondContact O-N 3.41Å; F53-F55 VanDerWaalsContact C-N 3.32Å; F53-F55 PolarHBondContact O-N 3.36Å; F55-L57 VanDerWaalsContact C-N 3.35Å; F55-L57 PolarHBondContact O-N 2.86Å; F55-S58 WeakPolarHBondContact O-CB 3.46Å; F55-S58 PolarHBondContact O-N 2.98Å; F55-S59 PolarHBondContact O-N 3.31Å; F55-S59 PolarHBondContact O-OG 3.17Å
56	F	81.9	Confident	77.8	Confident	118 Å²	118	84.2 Å²	84.2	52%	0.518	42%	0.424	S	S	.	.	H	α-helix	trans	-58	-42.4	177.5	177.1	-108.7	0	0	0	113.4	N52 F53 S58 Q60	N52-F56 WeakPolarHBondContact O-CB 3.29Å; N52-F56 PolarHBondContact O-N 3.2Å; F53-F56 PolarHBondContact O-N 3.1Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-Q60 PolarHBondContact O-N 2.65Å
57	L	79.7	Confident	75.5	Confident	72 Å²	72	88.2 Å²	88.2	38%	0.377	45%	0.446	S	S	.	.	H	α-helix	trans	-65.4	-36.6	175.1	-71.6	179.9	0	0	0	112.5	F53 I54 F55 R61	F53-L57 HydrophobicContact CD1-CD1 3.88Å; F53-L57 HydrophobicContact CD1-CG 4.45Å; F53-L57 HydrophobicContact CE1-CD1 3.32Å; F53-L57 HydrophobicContact CE1-CG 4.1Å; F53-L57 HydrophobicContact CE2-CD1 4.41Å; F53-L57 HydrophobicContact CE2-CG 4.38Å; F53-L57 HydrophobicContact CZ-CD1 3.63Å; F53-L57 HydrophobicContact CZ-CD2 4.25Å; F53-L57 HydrophobicContact CZ-CG 4.06Å; F53-L57 WeakPolarHBondContact O-CG 3.43Å; F53-L57 PolarHBondContact O-N 3.29Å; I54-L57 PolarHBondContact O-N 2.96Å; F55-L57 VanDerWaalsContact C-N 3.35Å; F55-L57 PolarHBondContact O-N 2.86Å; L57-R61 PolarHBondContact O-N 3.35Å
58	S	77.4	Confident	73.3	Confident	43 Å²	43	95.2 Å²	95.2	30%	0.301	48%	0.483	S	S	.	.	H	α-helix	trans	-68.9	-45.1	179.4	-52.9	0	0	0	0	110.9	I54 F55 F56 Q60 R61 D62	I54-S58 WeakPolarHBondContact O-CB 2.87Å; I54-S58 PolarHBondContact O-N 3.38Å; I54-S58 PolarHBondContact O-OG 2.88Å; F55-S58 WeakPolarHBondContact O-CB 3.46Å; F55-S58 PolarHBondContact O-N 2.98Å; F56-S58 VanDerWaalsContact C-N 3.33Å; S58-Q60 VanDerWaalsContact C-N 3.32Å; S58-Q60 PolarHBondContact O-N 3.01Å; S58-R61 PolarHBondContact O-N 3.31Å; S58-R61 VanDerWaalsContact O-N 3.17Å; S58-D62 PolarHBondContact O-N 3.44Å
59	S	78.3	Confident	71.2	Confident	41 Å²	41	104.3 Å²	104.3	29%	0.287	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-30.9	177.9	-58.9	0	0	0	0	113.9	F55	F55-S59 PolarHBondContact O-N 3.31Å; F55-S59 PolarHBondContact O-OG 3.17Å
60	Q	70	Confident	69.5	Low	94 Å²	94	105 Å²	105	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-70.9	-33.8	174.1	-82.1	-175.3	85.4	0	0	112.8	F56 S58 D62 Q63	F56-Q60 PolarHBondContact O-N 2.65Å; S58-Q60 VanDerWaalsContact C-N 3.32Å; S58-Q60 PolarHBondContact O-N 3.01Å; Q60-D62 VanDerWaalsContact C-N 3.34Å; Q60-Q63 PolarHBondContact O-N 2.6Å
61	R	63.8	Low	67.5	Low	116 Å²	116	106.9 Å²	106.9	44%	0.438	55%	0.551	S	S	.	*	H	α-helix	trans	-67.6	-35.9	-179.9	-166.1	-176.8	-72.1	170	-4.3	111.9	L57 S58 Q63 Q64 Q79	L57-R61 PolarHBondContact O-N 3.35Å; S58-R61 PolarHBondContact O-N 3.31Å; S58-R61 VanDerWaalsContact O-N 3.17Å; R61-Q63 PolarHBondContact O-N 3.03Å; R61-Q64 PolarHBondContact O-N 3.48Å; R61-Q79 VanDerWaalsContact NH2-NE2 3.14Å
62	D	61.3	Low	65.9	Low	144 Å²	144	107 Å²	107	77%	0.77	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-11.5	177.1	-70.3	-23	0	0	0	113.5	S58 Q60	S58-D62 PolarHBondContact O-N 3.44Å; Q60-D62 VanDerWaalsContact C-N 3.34Å
63	Q	60.9	Low	64.5	Low	162 Å²	162	107.9 Å²	107.9	76%	0.757	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-7.3	179.5	-65.3	177.8	15.4	0	0	113.8	Q60 R61	Q60-Q63 PolarHBondContact O-N 2.6Å; R61-Q63 PolarHBondContact O-N 3.03Å
64	Q	53.1	Low	63.3	Low	149 Å²	149	104.3 Å²	104.3	70%	0.696	57%	0.57	S	S	*	*	S	Bend	trans	-86	132.5	176.7	-92	-177	-86	0	0	111.6	R61	R61-Q64 PolarHBondContact O-N 3.48Å
65	P	53.2	Low	62.2	Low	89 Å²	89	104.4 Å²	104.4	58%	0.578	58%	0.575	S	S	*	*			trans	-62.9	151.7	169.4	26.6	-31.7	0	0	0	110.5	D67	P65-D67 VanDerWaalsContact C-N 3.28Å; P65-D67 PolarHBondContact O-N 2.94Å
66	P	50.5	Low	61.3	Low	134 Å²	134	103.3 Å²	103.3	87%	0.87	58%	0.577	S	S	*	*			trans	-72.9	82.2	-179.6	30.5	-33.1	0	0	0	110
67	D	48.3	Very low	60.4	Low	140 Å²	140	104.5 Å²	104.5	75%	0.749	58%	0.584	S	S	*	*			trans	-90.4	127.7	170.3	-87.8	-22	0	0	0	110.8	P65 F69	P65-D67 VanDerWaalsContact C-N 3.28Å; P65-D67 PolarHBondContact O-N 2.94Å; D67-F69 VanDerWaalsContact C-N 3.28Å; D67-F69 PolarHBondContact O-N 3.16Å
68	D	49.1	Very low	59.8	Low	148 Å²	148	108.3 Å²	108.3	79%	0.791	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	26.1	-156.5	-148.7	12.2	0	0	0	115.9
69	F	51.9	Low	59.4	Low	195 Å²	195	109.7 Å²	109.7	86%	0.855	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	17.5	-167.5	-74.5	-78.5	0	0	0	118.3	D67	D67-F69 VanDerWaalsContact C-N 3.28Å; D67-F69 PolarHBondContact O-N 3.16Å
70	S	56.5	Low	59.1	Low	105 Å²	105	110.8 Å²	110.8	73%	0.734	61%	0.613	S	S	*	*	S	Bend	trans	-96.5	136.1	170.7	-76	0	0	0	0	112.7	A72	S70-A72 PolarHBondContact O-N 3.47Å
71	P	51	Low	59.4	Low	89 Å²	89	108.6 Å²	108.6	58%	0.578	61%	0.611	S	S	*	*			trans	-70.8	96.6	178.4	28.4	-31.1	0	0	0	109.5	S73 A74	P71-S73 PolarHBondContact O-N 3Å; P71-A74 PolarHBondContact O-N 3.02Å; P71-A74 VanDerWaalsContact O-N 3.09Å
72	A	56.8	Low	60.1	Low	68 Å²	68	104.1 Å²	104.1	56%	0.562	60%	0.601	S	S	*	*	H	α-helix	trans	-51.4	-21.5	179.2	0	0	0	0	0	114	S70 S75 V76	S70-A72 PolarHBondContact O-N 3.47Å; A72-S75 PolarHBondContact O-OG 3.49Å; A72-V76 WeakPolarHBondContact O-CG2 3.38Å; A72-V76 PolarHBondContact O-N 2.88Å
73	S	58	Low	61.2	Low	80 Å²	80	100 Å²	100	56%	0.559	59%	0.587	S	S	*	*	H	α-helix	trans	-65	-38.2	177.1	45.1	0	0	0	0	114.1	P71 Q77	P71-S73 PolarHBondContact O-N 3Å; S73-Q77 WeakPolarHBondContact O-CG 3.42Å; S73-Q77 PolarHBondContact O-N 2.88Å
74	A	59.5	Low	62.5	Low	49 Å²	49	95.1 Å²	95.1	41%	0.405	57%	0.574	S	S	.	*	H	α-helix	trans	-72.4	-41.1	-177.7	0	0	0	0	0	112	P71 V76 Q77 Q78	P71-A74 PolarHBondContact O-N 3.02Å; P71-A74 VanDerWaalsContact O-N 3.09Å; A74-V76 PolarHBondContact O-N 3.23Å; A74-Q77 PolarHBondContact O-N 2.88Å; A74-Q78 PolarHBondContact O-N 3.47Å; A74-Q78 VanDerWaalsContact O-N 3.11Å
75	S	61.7	Low	64.3	Low	45 Å²	45	93.5 Å²	93.5	32%	0.315	57%	0.567	S	S	.	*	H	α-helix	trans	-67.7	-32.8	177.8	49.4	0	0	0	0	113.5	A72 Q79	A72-S75 PolarHBondContact O-OG 3.49Å; S75-Q79 PolarHBondContact O-N 2.95Å
76	V	63.2	Low	66.2	Low	88 Å²	88	90.3 Å²	90.3	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-73.1	-39.7	177.1	171	0	0	0	0	110.8	A72 A74 Q79 A80	A72-V76 WeakPolarHBondContact O-CG2 3.38Å; A72-V76 PolarHBondContact O-N 2.88Å; A74-V76 PolarHBondContact O-N 3.23Å; V76-Q79 PolarHBondContact O-N 3.4Å; V76-A80 WeakPolarHBondContact O-CB 3.15Å; V76-A80 PolarHBondContact O-N 3.16Å
77	Q	64.8	Low	68.2	Low	144 Å²	144	89.7 Å²	89.7	67%	0.673	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-39.1	174.8	-77.4	175.1	-26.3	0	0	112.4	S73 A74 A80 A81	S73-Q77 WeakPolarHBondContact O-CG 3.42Å; S73-Q77 PolarHBondContact O-N 2.88Å; A74-Q77 PolarHBondContact O-N 2.88Å; Q77-A80 PolarHBondContact O-N 3.44Å; Q77-A81 WeakPolarHBondContact O-CB 3.17Å; Q77-A81 PolarHBondContact O-N 3.16Å
78	Q	67.4	Low	70.5	Confident	151 Å²	151	87.3 Å²	87.3	71%	0.706	52%	0.518	S	S	*	.	H	α-helix	trans	-67.5	-37.6	177.6	-126.7	169.4	-12.4	0	0	112.7	A74 G82	A74-Q78 PolarHBondContact O-N 3.47Å; A74-Q78 VanDerWaalsContact O-N 3.11Å; Q78-G82 PolarHBondContact O-N 3.14Å; Q78-G82 VanDerWaalsContact O-N 3.08Å
79	Q	68.1	Low	72.8	Confident	73 Å²	73	81 Å²	81	34%	0.341	48%	0.483	S	S	.	.	H	α-helix	trans	-69.4	-39.4	173.8	-79	-177	-41.7	0	0	112.7	R61 S75 V76 A81 G82 A83	R61-Q79 VanDerWaalsContact NH2-NE2 3.14Å; S75-Q79 PolarHBondContact O-N 2.95Å; V76-Q79 PolarHBondContact O-N 3.4Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; Q79-G82 PolarHBondContact O-N 2.96Å; Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 3.13Å
80	A	72.2	Confident	74.9	Confident	63 Å²	63	73 Å²	73	52%	0.521	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-39.2	175.6	0	0	0	0	0	111.8	V76 Q77 A84	V76-A80 WeakPolarHBondContact O-CB 3.15Å; V76-A80 PolarHBondContact O-N 3.16Å; Q77-A80 PolarHBondContact O-N 3.44Å; A80-A84 PolarHBondContact O-N 3.31Å; A80-A84 VanDerWaalsContact O-N 3.08Å
81	A	75.1	Confident	76.9	Confident	49 Å²	49	70.7 Å²	70.7	41%	0.405	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-48.1	174.6	0	0	0	0	0	112	Q77 Q79 A83 A84 E85	Q77-A81 WeakPolarHBondContact O-CB 3.17Å; Q77-A81 PolarHBondContact O-N 3.16Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; A81-A83 VanDerWaalsContact C-N 3.33Å; A81-A83 PolarHBondContact O-N 3.35Å; A81-A84 WeakPolarHBondContact O-CB 3.41Å; A81-A84 PolarHBondContact O-N 3.5Å; A81-A84 VanDerWaalsContact O-N 3.14Å; A81-E85 PolarHBondContact O-N 2.94Å
82	G	80.3	Confident	79.1	Confident	22 Å²	22	71.5 Å²	71.5	23%	0.227	43%	0.426	C	S	.	.	H	α-helix	trans	-64.1	-34.7	177.6	0	0	0	0	0	113.7	Q78 Q79 L86	Q78-G82 PolarHBondContact O-N 3.14Å; Q78-G82 VanDerWaalsContact O-N 3.08Å; Q79-G82 PolarHBondContact O-N 2.96Å; G82-L86 WeakPolarHBondContact O-CB 3.41Å; G82-L86 PolarHBondContact O-N 3.35Å
83	A	83.6	Confident	81.1	Confident	56 Å²	56	68.3 Å²	68.3	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-36	173.4	0	0	0	0	0	112.4	Q79 A81 Q87	Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 3.13Å; A81-A83 VanDerWaalsContact C-N 3.33Å; A81-A83 PolarHBondContact O-N 3.35Å; A83-Q87 WeakPolarHBondContact O-CB 3.44Å; A83-Q87 PolarHBondContact O-N 3.08Å
84	A	88.1	Confident	83	Confident	60 Å²	60	67.7 Å²	67.7	50%	0.496	39%	0.388	S	S	.	.	H	α-helix	trans	-68.8	-42.2	176	0	0	0	0	0	112.1	A80 A81 Q87 D88	A80-A84 PolarHBondContact O-N 3.31Å; A80-A84 VanDerWaalsContact O-N 3.08Å; A81-A84 WeakPolarHBondContact O-CB 3.41Å; A81-A84 PolarHBondContact O-N 3.5Å; A81-A84 VanDerWaalsContact O-N 3.14Å; A84-Q87 PolarHBondContact O-N 3.23Å; A84-D88 PolarHBondContact O-N 2.89Å
85	E	91.1	Very high	84.9	Confident	116 Å²	116	67.1 Å²	67.1	54%	0.542	38%	0.384	S	S	.	.	H	α-helix	trans	-62.9	-42.8	174.9	-70.7	175.8	-171.3	0	0	111.9	M50 A81 Q87 D88 E89	M50-E85 HydrophobicContact CE-CB 4.16Å; M50-E85 HydrophobicContact SD-CB 4.43Å; A81-E85 PolarHBondContact O-N 2.94Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 3.28Å; E85-D88 WeakPolarHBondContact O-CB 3.33Å; E85-D88 PolarHBondContact O-N 3.23Å; E85-E89 PolarHBondContact O-N 2.97Å
86	L	92.1	Very high	86.7	Confident	22 Å²	22	65.2 Å²	65.2	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-43.4	174.6	179.5	65.3	0	0	0	111.5	I47 M50 I54 G82 D88 E89 C90	I47-L86 HydrophobicContact CB-CD1 4.34Å; I47-L86 HydrophobicContact CG1-CD1 4.37Å; I47-L86 HydrophobicContact CG2-CD1 3.99Å; M50-L86 HydrophobicContact CB-CD1 4.14Å; M50-L86 HydrophobicContact SD-CB 4.39Å; M50-L86 HydrophobicContact SD-CD1 4.44Å; I54-L86 HydrophobicContact CD1-CD2 4.17Å; G82-L86 WeakPolarHBondContact O-CB 3.41Å; G82-L86 PolarHBondContact O-N 3.35Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 2.95Å; L86-E89 PolarHBondContact O-N 3.37Å; L86-C90 PolarHBondContact O-N 2.84Å; L86-C90 PolarHBondContact O-SG 3.38Å
87	Q	94	Very high	88.4	Confident	121 Å²	121	61.1 Å²	61.1	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-63.9	-35.9	177.9	-176.1	60.4	40.5	0	0	112.3	A83 A84 E85 S91	A83-Q87 WeakPolarHBondContact O-CB 3.44Å; A83-Q87 PolarHBondContact O-N 3.08Å; A84-Q87 PolarHBondContact O-N 3.23Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 3.28Å; Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.17Å; Q87-S91 PolarHBondContact O-OG 2.99Å
88	D	96	Very high	90	Very high	90 Å²	90	58 Å²	58	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-49	174.3	-172.9	66.9	0	0	0	111	A84 E85 L86 C90 S91 R92	A84-D88 PolarHBondContact O-N 2.89Å; E85-D88 WeakPolarHBondContact O-CB 3.33Å; E85-D88 PolarHBondContact O-N 3.23Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 2.95Å; D88-C90 VanDerWaalsContact C-N 3.33Å; D88-C90 PolarHBondContact O-N 2.71Å; D88-S91 WeakPolarHBondContact O-CA 3.38Å; D88-S91 WeakPolarHBondContact O-CB 3.4Å; D88-S91 PolarHBondContact O-N 3.4Å; D88-R92 WeakPolarHBondContact O-CG 3.14Å; D88-R92 PolarHBondContact O-N 2.85Å; D88-R92 WeakPolarHBondContact OD2-CD 3.33Å
89	E	96.7	Very high	91.5	Very high	14 Å²	14	58 Å²	58	7%	0.065	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-40.4	177.4	-69.3	-65.6	125.1	0	0	112.2	F43 N46 I47 M50 E85 L86 S91 R92 L93	F43-E89 WeakPolarHBondContact CD1-OE2 3.44Å; N46-E89 HydrophobicContact CB-CG 4.19Å; N46-E89 WeakPolarHBondContact CB-OE2 3.3Å; N46-E89 PolarHBondContact ND2-OE2 3.02Å; I47-E89 HydrophobicContact CD1-CB 4.35Å; I47-E89 HydrophobicContact CG1-CB 3.7Å; M50-E89 HydrophobicContact CE-CG 3.92Å; M50-E89 HydrophobicContact SD-CG 4.14Å; E85-E89 PolarHBondContact O-N 2.97Å; L86-E89 PolarHBondContact O-N 3.37Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.24Å; E89-R92 PolarHBondContact O-N 2.9Å; E89-R92 IonicContact OE1-CZ 3.67Å; E89-R92 IonicContact OE1-NE 4Å; E89-R92 IonicContact OE1-NH1 2.71Å; E89-R92 PolarHBondContact OE1-NH1 3.4Å; E89-L93 PolarHBondContact O-N 3.27Å
90	C	97	Very high	92.9	Very high	27 Å²	27	54.5 Å²	54.5	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-41.7	172	-71.1	0	0	0	0	112.2	L86 D88 R92 L93 Q94 A169	L86-C90 PolarHBondContact O-N 2.84Å; L86-C90 PolarHBondContact O-SG 3.38Å; D88-C90 VanDerWaalsContact C-N 3.33Å; D88-C90 PolarHBondContact O-N 2.71Å; C90-R92 VanDerWaalsContact C-N 3.34Å; C90-L93 PolarHBondContact O-N 2.93Å; C90-Q94 WeakPolarHBondContact O-CB 3.39Å; C90-Q94 PolarHBondContact O-N 2.89Å; C90-A169 VanDerWaalsContact SG-CB 3.59Å
91	S	97.9	Very high	94.2	Very high	57 Å²	57	54.2 Å²	54.2	40%	0.399	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-36.8	178.3	-56.2	0	0	0	0	111.7	Q87 D88 E89 Q94 A95	Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.17Å; Q87-S91 PolarHBondContact O-OG 2.99Å; D88-S91 WeakPolarHBondContact O-CA 3.38Å; D88-S91 WeakPolarHBondContact O-CB 3.4Å; D88-S91 PolarHBondContact O-N 3.4Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.24Å; S91-Q94 PolarHBondContact O-N 3.26Å; S91-A95 PolarHBondContact O-N 2.94Å
92	R	98.3	Very high	95.3	Very high	106 Å²	106	55.6 Å²	55.6	40%	0.4	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-43.3	174.1	-66.4	171.7	73	176.2	12.8	111.5	F43 D88 E89 C90 A95 V96	F43-R92 HydrophobicContact CD1-CB 4.25Å; F43-R92 HydrophobicContact CD2-CB 3.94Å; F43-R92 HydrophobicContact CE1-CB 4.42Å; F43-R92 VanDerWaalsContact CE1-NE 3.26Å; F43-R92 HydrophobicContact CE2-CB 4.06Å; F43-R92 HydrophobicContact CG-CB 4.06Å; F43-R92 HydrophobicContact CZ-CB 4.32Å; D88-R92 WeakPolarHBondContact O-CG 3.14Å; D88-R92 PolarHBondContact O-N 2.85Å; D88-R92 WeakPolarHBondContact OD2-CD 3.33Å; E89-R92 PolarHBondContact O-N 2.9Å; E89-R92 IonicContact OE1-CZ 3.67Å; E89-R92 IonicContact OE1-NE 4Å; E89-R92 IonicContact OE1-NH1 2.71Å; E89-R92 PolarHBondContact OE1-NH1 3.4Å; C90-R92 VanDerWaalsContact C-N 3.34Å; R92-A95 PolarHBondContact O-N 3.47Å; R92-V96 PolarHBondContact O-N 3.49Å; R92-V96 VanDerWaalsContact O-N 3.11Å
93	L	98.4	Very high	96.2	Very high	2 Å²	2	55 Å²	55	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-42.9	175.3	-174	62.5	0	0	0	111.6	G40 F43 A44 I47 E89 C90 A95 V96 V97 L165 L168 W184	G40-L93 WeakPolarHBondContact O-CD1 3.47Å; F43-L93 HydrophobicContact CB-CB 4.15Å; F43-L93 HydrophobicContact CB-CD1 4.3Å; A44-L93 HydrophobicContact CB-CD1 4.45Å; A44-L93 HydrophobicContact CB-CD2 4.36Å; I47-L93 HydrophobicContact CD1-CB 4.06Å; I47-L93 HydrophobicContact CD1-CD2 3.69Å; E89-L93 PolarHBondContact O-N 3.27Å; C90-L93 PolarHBondContact O-N 2.93Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.24Å; L93-V96 WeakPolarHBondContact O-CB 3.47Å; L93-V96 PolarHBondContact O-N 2.92Å; L93-V96 VanDerWaalsContact O-N 3.13Å; L93-V97 PolarHBondContact O-N 3.12Å; L93-L165 HydrophobicContact CB-CD1 4.31Å; L93-L165 HydrophobicContact CD2-CD1 4.11Å; L93-L165 HydrophobicContact CG-CD1 3.98Å; L93-L168 HydrophobicContact CD2-CD2 3.93Å; L93-W184 HydrophobicContact CD1-CH2 3.49Å; L93-W184 VanDerWaalsContact CD1-CH2 3.49Å; L93-W184 HydrophobicContact CD1-CZ2 3.79Å; L93-W184 HydrophobicContact CD1-CZ3 4.08Å; L93-W184 HydrophobicContact CG-CH2 4.33Å
94	Q	98.6	Very high	96.9	Very high	67 Å²	67	52.6 Å²	52.6	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-56.2	-48.2	173.8	-179.3	67.6	67.6	0	0	111.1	C90 S91 V96 V97 D98 L165	C90-Q94 WeakPolarHBondContact O-CB 3.39Å; C90-Q94 PolarHBondContact O-N 2.89Å; S91-Q94 PolarHBondContact O-N 3.26Å; Q94-V96 PolarHBondContact O-N 3.1Å; Q94-V97 PolarHBondContact O-N 3.34Å; Q94-V97 VanDerWaalsContact O-N 3.09Å; Q94-D98 PolarHBondContact NE2-OD1 2.87Å; Q94-D98 VanDerWaalsContact O-CG 3.23Å; Q94-D98 PolarHBondContact O-N 3.06Å; Q94-L165 HydrophobicContact CB-CD1 4.16Å; Q94-L165 VanDerWaalsContact OE1-CD2 3.31Å
95	A	98.7	Very high	97.4	Very high	37 Å²	37	52 Å²	52	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-31.3	178.8	0	0	0	0	0	113	S91 R92 L93 R99	S91-A95 PolarHBondContact O-N 2.94Å; R92-A95 PolarHBondContact O-N 3.47Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.24Å; A95-R99 WeakPolarHBondContact O-CD 3.45Å; A95-R99 VanDerWaalsContact O-CG 3.24Å; A95-R99 WeakPolarHBondContact O-CG 3.28Å; A95-R99 PolarHBondContact O-N 3.42Å
96	V	98.7	Very high	97.8	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-49.7	171.9	169.1	0	0	0	0	110.6	L36 D39 F43 R92 L93 Q94 D98 R99 M100 W184	L36-V96 HydrophobicContact CB-CG1 4.16Å; L36-V96 HydrophobicContact CD2-CG1 4.44Å; L36-V96 WeakPolarHBondContact O-CG1 3.43Å; D39-V96 HydrophobicContact CB-CG2 4.37Å; F43-V96 HydrophobicContact CD2-CG2 3.87Å; F43-V96 HydrophobicContact CE2-CG2 3.74Å; R92-V96 PolarHBondContact O-N 3.49Å; R92-V96 VanDerWaalsContact O-N 3.11Å; L93-V96 WeakPolarHBondContact O-CB 3.47Å; L93-V96 PolarHBondContact O-N 2.92Å; L93-V96 VanDerWaalsContact O-N 3.13Å; Q94-V96 PolarHBondContact O-N 3.1Å; V96-D98 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.32Å; V96-R99 WeakPolarHBondContact O-CB 3.33Å; V96-R99 PolarHBondContact O-N 3.3Å; V96-R99 VanDerWaalsContact O-N 3.15Å; V96-M100 HydrophobicContact CG1-CE 3.98Å; V96-M100 HydrophobicContact CG1-SD 4.41Å; V96-M100 WeakPolarHBondContact O-CG 3.41Å; V96-M100 PolarHBondContact O-N 3.05Å; V96-W184 HydrophobicContact CG1-CZ2 4.49Å
97	V	98.7	Very high	98.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-40.4	179.6	176.6	0	0	0	0	111.2	L93 Q94 R99 M100 V101 L158 Q162 L165 W184	L93-V97 PolarHBondContact O-N 3.12Å; Q94-V97 PolarHBondContact O-N 3.34Å; Q94-V97 VanDerWaalsContact O-N 3.09Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.2Å; V97-M100 CarbonylContact O-C 3.57Å; V97-M100 WeakPolarHBondContact O-CA 3.38Å; V97-M100 WeakPolarHBondContact O-CB 3.47Å; V97-M100 PolarHBondContact O-N 3.12Å; V97-V101 WeakPolarHBondContact O-CG2 3.36Å; V97-V101 PolarHBondContact O-N 2.87Å; V97-L158 HydrophobicContact CG1-CD1 4.37Å; V97-Q162 HydrophobicContact CG1-CG 3.72Å; V97-L165 HydrophobicContact CB-CD2 3.83Å; V97-L165 HydrophobicContact CG1-CD2 3.91Å; V97-L165 HydrophobicContact CG2-CB 4.21Å; V97-L165 HydrophobicContact CG2-CD2 3.84Å; V97-L165 HydrophobicContact CG2-CG 4.49Å; V97-W184 HydrophobicContact CG2-CH2 3.71Å; V97-W184 HydrophobicContact CG2-CZ3 4.37Å
98	D	98.8	Very high	98.3	Very high	79 Å²	79	49.4 Å²	49.4	42%	0.422	26%	0.257	S	S	.	.	H	α-helix	trans	-60.5	-39.1	176.2	-65.9	-18	0	0	0	111.7	Q94 V96 M100 V101 V102	Q94-D98 PolarHBondContact NE2-OD1 2.87Å; Q94-D98 VanDerWaalsContact O-CG 3.23Å; Q94-D98 PolarHBondContact O-N 3.06Å; V96-D98 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.32Å; D98-M100 VanDerWaalsContact C-N 3.34Å; D98-V101 WeakPolarHBondContact O-CB 3.5Å; D98-V101 PolarHBondContact O-N 2.89Å; D98-V102 WeakPolarHBondContact O-CG2 3.25Å; D98-V102 PolarHBondContact O-N 3.05Å; D98-V102 VanDerWaalsContact O-N 3.14Å
99	R	98.8	Very high	98.4	Very high	151 Å²	151	50.9 Å²	50.9	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-68.3	-34.6	173.9	-68.8	169.7	-171.5	-173.6	4.2	111.9	L36 A95 V96 V97 V102 I103	L36-R99 HydrophobicContact CD1-CB 3.63Å; L36-R99 HydrophobicContact CD2-CB 4.04Å; A95-R99 WeakPolarHBondContact O-CD 3.45Å; A95-R99 VanDerWaalsContact O-CG 3.24Å; A95-R99 WeakPolarHBondContact O-CG 3.28Å; A95-R99 PolarHBondContact O-N 3.42Å; V96-R99 WeakPolarHBondContact O-CB 3.33Å; V96-R99 PolarHBondContact O-N 3.3Å; V96-R99 VanDerWaalsContact O-N 3.15Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.2Å; R99-V102 WeakPolarHBondContact O-CB 3.45Å; R99-V102 PolarHBondContact O-N 3.46Å; R99-I103 PolarHBondContact O-N 2.92Å
100	M	98.8	Very high	98.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-38.6	173.1	-69.8	179.1	169	0	0	111.8	W33 L36 N37 V96 V97 D98 V102 I103 V104 L158 K161 W184	W33-M100 HydrophobicContact CE3-CB 4.14Å; W33-M100 HydrophobicContact CE3-CG 4.14Å; W33-M100 HydrophobicContact CH2-CB 4.18Å; W33-M100 HydrophobicContact CH2-CG 4.38Å; W33-M100 HydrophobicContact CH2-SD 4.15Å; W33-M100 HydrophobicContact CZ2-SD 4.34Å; W33-M100 HydrophobicContact CZ3-CB 3.64Å; W33-M100 HydrophobicContact CZ3-CG 3.99Å; W33-M100 HydrophobicContact CZ3-SD 4.36Å; L36-M100 VanDerWaalsContact C-CE 3.45Å; L36-M100 HydrophobicContact CB-CE 3.76Å; L36-M100 HydrophobicContact CB-CG 4.06Å; L36-M100 HydrophobicContact CD1-CG 3.93Å; N37-M100 VanDerWaalsContact CA-CE 3.49Å; N37-M100 HydrophobicContact CB-CE 4.11Å; V96-M100 HydrophobicContact CG1-CE 3.98Å; V96-M100 HydrophobicContact CG1-SD 4.41Å; V96-M100 WeakPolarHBondContact O-CG 3.41Å; V96-M100 PolarHBondContact O-N 3.05Å; V97-M100 CarbonylContact O-C 3.57Å; V97-M100 WeakPolarHBondContact O-CA 3.38Å; V97-M100 WeakPolarHBondContact O-CB 3.47Å; V97-M100 PolarHBondContact O-N 3.12Å; D98-M100 VanDerWaalsContact C-N 3.34Å; M100-V102 VanDerWaalsContact C-N 3.29Å; M100-V102 PolarHBondContact O-N 3.17Å; M100-I103 WeakPolarHBondContact O-CB 3.28Å; M100-I103 PolarHBondContact O-N 2.73Å; M100-I103 VanDerWaalsContact O-N 3.08Å; M100-V104 PolarHBondContact O-N 3.26Å; M100-L158 HydrophobicContact CB-CD1 3.83Å; M100-K161 HydrophobicContact CE-CD 3.86Å; M100-K161 HydrophobicContact SD-CD 3.47Å; M100-K161 WeakPolarHBondContact SD-CD 3.44Å; M100-W184 HydrophobicContact CE-CZ2 4.25Å
101	V	98.8	Very high	98.4	Very high	57 Å²	57	50.6 Å²	50.6	35%	0.345	26%	0.257	S	S	.	.	H	α-helix	trans	-56.4	-45.8	171.1	174.4	0	0	0	0	110.3	V97 D98 I103 V104 A105 L158	V97-V101 WeakPolarHBondContact O-CG2 3.36Å; V97-V101 PolarHBondContact O-N 2.87Å; D98-V101 WeakPolarHBondContact O-CB 3.5Å; D98-V101 PolarHBondContact O-N 2.89Å; V101-I103 VanDerWaalsContact C-N 3.3Å; V101-I103 PolarHBondContact O-N 3.32Å; V101-V104 PolarHBondContact O-N 3.38Å; V101-A105 WeakPolarHBondContact O-CB 3.39Å; V101-A105 PolarHBondContact O-N 2.98Å; V101-L158 HydrophobicContact CB-CD2 4.4Å; V101-L158 HydrophobicContact CG2-CD1 4.05Å; V101-L158 HydrophobicContact CG2-CD2 4.03Å
102	V	98.8	Very high	98.3	Very high	77 Å²	77	51.8 Å²	51.8	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-34.7	176.8	174.4	0	0	0	0	112.3	D98 R99 M100 K106	D98-V102 WeakPolarHBondContact O-CG2 3.25Å; D98-V102 PolarHBondContact O-N 3.05Å; D98-V102 VanDerWaalsContact O-N 3.14Å; R99-V102 WeakPolarHBondContact O-CB 3.45Å; R99-V102 PolarHBondContact O-N 3.46Å; M100-V102 VanDerWaalsContact C-N 3.29Å; M100-V102 PolarHBondContact O-N 3.17Å; V102-K106 WeakPolarHBondContact O-CG 3.39Å; V102-K106 PolarHBondContact O-N 3.38Å; V102-K106 VanDerWaalsContact O-N 3.15Å
103	I	98.6	Very high	98.1	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-48.8	174.3	-70.7	-179.6	0	0	0	110.8	L29 K32 W33 L36 R99 M100 V101 A105 K106 M107	L29-I103 HydrophobicContact CB-CG2 4.22Å; L29-I103 HydrophobicContact CD2-CG2 4.3Å; K32-I103 HydrophobicContact CB-CD1 3.74Å; W33-I103 HydrophobicContact CB-CD1 4.17Å; W33-I103 HydrophobicContact CB-CG2 4.46Å; W33-I103 HydrophobicContact CE3-CB 4.38Å; W33-I103 HydrophobicContact CE3-CG2 4.07Å; L36-I103 HydrophobicContact CD1-CD1 3.51Å; L36-I103 HydrophobicContact CD1-CG1 4.39Å; R99-I103 PolarHBondContact O-N 2.92Å; M100-I103 WeakPolarHBondContact O-CB 3.28Å; M100-I103 PolarHBondContact O-N 2.73Å; M100-I103 VanDerWaalsContact O-N 3.08Å; V101-I103 VanDerWaalsContact C-N 3.3Å; V101-I103 PolarHBondContact O-N 3.32Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.08Å; I103-K106 WeakPolarHBondContact O-CA 3.43Å; I103-K106 WeakPolarHBondContact O-CB 3.44Å; I103-K106 PolarHBondContact O-N 3.25Å; I103-M107 HydrophobicContact CG2-CE 3.85Å; I103-M107 HydrophobicContact CG2-SD 4.29Å; I103-M107 WeakPolarHBondContact O-CG 3.28Å; I103-M107 PolarHBondContact O-N 2.99Å
104	V	98.6	Very high	97.8	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-40.6	-180	174.6	0	0	0	0	110.9	W33 M100 V101 K106 M107 E108 L151 F154 S155 L158	W33-V104 HydrophobicContact CZ3-CG2 3.8Å; M100-V104 PolarHBondContact O-N 3.26Å; V101-V104 PolarHBondContact O-N 3.38Å; V104-K106 PolarHBondContact O-N 2.88Å; V104-M107 CarbonylContact O-C 3.58Å; V104-M107 WeakPolarHBondContact O-CA 3.41Å; V104-M107 WeakPolarHBondContact O-CB 3.34Å; V104-M107 PolarHBondContact O-N 3.44Å; V104-E108 WeakPolarHBondContact O-CG 3.42Å; V104-E108 PolarHBondContact O-N 3.44Å; V104-L151 HydrophobicContact CG1-CD1 4.25Å; V104-F154 HydrophobicContact CG2-CB 4.3Å; V104-S155 WeakPolarHBondContact CG1-OG 3.3Å; V104-L158 HydrophobicContact CB-CD2 3.84Å; V104-L158 HydrophobicContact CG1-CD2 4.27Å; V104-L158 HydrophobicContact CG2-CB 4.14Å; V104-L158 HydrophobicContact CG2-CD2 3.66Å; V104-L158 HydrophobicContact CG2-CG 4.48Å
105	A	98.6	Very high	97.5	Very high	48 Å²	48	48.5 Å²	48.5	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-34.8	173.6	0	0	0	0	0	112.8	V101 I103 H109	V101-A105 WeakPolarHBondContact O-CB 3.39Å; V101-A105 PolarHBondContact O-N 2.98Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.08Å; A105-H109 PolarHBondContact O-N 3.36Å
106	K	98.6	Very high	97.2	Very high	106 Å²	106	48.6 Å²	48.6	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-69.9	-37.6	172.7	-71.8	174	-178.6	-178.6	0	111.9	L29 V102 I103 V104 H109 L110	L29-K106 HydrophobicContact CD1-CB 3.83Å; L29-K106 HydrophobicContact CD2-CB 3.85Å; L29-K106 HydrophobicContact CD2-CD 3.83Å; V102-K106 WeakPolarHBondContact O-CG 3.39Å; V102-K106 PolarHBondContact O-N 3.38Å; V102-K106 VanDerWaalsContact O-N 3.15Å; I103-K106 WeakPolarHBondContact O-CA 3.43Å; I103-K106 WeakPolarHBondContact O-CB 3.44Å; I103-K106 PolarHBondContact O-N 3.25Å; V104-K106 PolarHBondContact O-N 2.88Å; K106-H109 WeakPolarHBondContact O-CB 3.4Å; K106-H109 PolarHBondContact O-N 2.86Å; K106-L110 WeakPolarHBondContact O-CG 3.19Å; K106-L110 PolarHBondContact O-N 3.06Å
107	M	98.4	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-40.3	173.7	-66.4	176.4	167.2	0	0	111.6	W26 L29 I103 V104 H109 L110 M111 L151 F154	W26-M107 HydrophobicContact CE3-CE 4.22Å; W26-M107 HydrophobicContact CE3-CG 4.05Å; W26-M107 HydrophobicContact CE3-SD 4.41Å; W26-M107 HydrophobicContact CH2-CB 3.62Å; W26-M107 HydrophobicContact CH2-CG 3.9Å; W26-M107 HydrophobicContact CH2-SD 4.32Å; W26-M107 HydrophobicContact CZ2-CB 4.43Å; W26-M107 HydrophobicContact CZ3-CB 3.73Å; W26-M107 HydrophobicContact CZ3-CE 3.95Å; W26-M107 HydrophobicContact CZ3-CG 3.44Å; W26-M107 VanDerWaalsContact CZ3-CG 3.44Å; W26-M107 HydrophobicContact CZ3-SD 3.6Å; L29-M107 HydrophobicContact CB-CE 3.92Å; L29-M107 HydrophobicContact CB-CG 4.46Å; L29-M107 HydrophobicContact CD1-CG 3.77Å; I103-M107 HydrophobicContact CG2-CE 3.85Å; I103-M107 HydrophobicContact CG2-SD 4.29Å; I103-M107 WeakPolarHBondContact O-CG 3.28Å; I103-M107 PolarHBondContact O-N 2.99Å; V104-M107 CarbonylContact O-C 3.58Å; V104-M107 WeakPolarHBondContact O-CA 3.41Å; V104-M107 WeakPolarHBondContact O-CB 3.34Å; V104-M107 PolarHBondContact O-N 3.44Å; M107-H109 VanDerWaalsContact C-N 3.31Å; M107-H109 PolarHBondContact O-N 3.13Å; M107-L110 WeakPolarHBondContact O-CB 3.28Å; M107-L110 PolarHBondContact O-N 3.44Å; M107-M111 PolarHBondContact O-N 2.81Å; M107-L151 HydrophobicContact CB-CD1 3.79Å; M107-F154 HydrophobicContact CE-CB 4.39Å; M107-F154 HydrophobicContact CE-CD1 3.92Å; M107-F154 HydrophobicContact CE-CD2 3.7Å; M107-F154 HydrophobicContact CE-CE1 4.1Å; M107-F154 HydrophobicContact CE-CE2 3.93Å; M107-F154 HydrophobicContact CE-CG 3.73Å; M107-F154 HydrophobicContact CE-CZ 4.14Å; M107-F154 HydrophobicContact SD-CB 3.67Å; M107-F154 HydrophobicContact SD-CD1 4.3Å; M107-F154 HydrophobicContact SD-CD2 3.79Å; M107-F154 HydrophobicContact SD-CG 3.66Å
108	E	98.4	Very high	96.4	Very high	98 Å²	98	50.6 Å²	50.6	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-39	172.4	-67.9	172.9	164	0	0	111.9	V104 M111 S112 L151	V104-E108 WeakPolarHBondContact O-CG 3.42Å; V104-E108 PolarHBondContact O-N 3.44Å; E108-M111 WeakPolarHBondContact O-CB 3.5Å; E108-M111 PolarHBondContact O-N 3.2Å; E108-S112 PolarHBondContact O-N 3.04Å; E108-S112 PolarHBondContact O-OG 3.11Å; E108-S112 VanDerWaalsContact O-OG 3.11Å; E108-L151 HydrophobicContact CG-CD1 3.78Å; E108-L151 HydrophobicContact CG-CD2 4.05Å
109	H	97.9	Very high	96	Very high	122 Å²	122	50.8 Å²	50.8	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-63.7	-42.6	173.1	-178.1	65.9	0	0	0	112.1	A105 K106 M107 M111 S112 V113	A105-H109 PolarHBondContact O-N 3.36Å; K106-H109 WeakPolarHBondContact O-CB 3.4Å; K106-H109 PolarHBondContact O-N 2.86Å; M107-H109 VanDerWaalsContact C-N 3.31Å; M107-H109 PolarHBondContact O-N 3.13Å; H109-M111 VanDerWaalsContact C-N 3.26Å; H109-M111 PolarHBondContact O-N 2.96Å; H109-S112 WeakPolarHBondContact O-CB 3.33Å; H109-S112 PolarHBondContact O-N 2.99Å; H109-S112 VanDerWaalsContact O-N 3.12Å; H109-V113 WeakPolarHBondContact O-CG2 3.25Å; H109-V113 PolarHBondContact O-N 3.24Å
110	L	97.3	Very high	95.6	Very high	9 Å²	9	47 Å²	47	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-39	174	-64.7	-178	0	0	0	111.7	D25 W26 L29 K106 M107 V113 Q114	D25-L110 HydrophobicContact CB-CD1 3.89Å; D25-L110 HydrophobicContact CB-CD2 3.82Å; D25-L110 HydrophobicContact CB-CG 4.5Å; W26-L110 HydrophobicContact CB-CD1 4.48Å; W26-L110 HydrophobicContact CD2-CD1 3.89Å; W26-L110 HydrophobicContact CG-CD1 3.82Å; W26-L110 HydrophobicContact CZ2-CB 4.39Å; L29-L110 HydrophobicContact CD1-CD1 3.66Å; L29-L110 HydrophobicContact CD1-CG 4.39Å; K106-L110 WeakPolarHBondContact O-CG 3.19Å; K106-L110 PolarHBondContact O-N 3.06Å; M107-L110 WeakPolarHBondContact O-CB 3.28Å; M107-L110 PolarHBondContact O-N 3.44Å; L110-V113 PolarHBondContact O-N 2.98Å; L110-Q114 PolarHBondContact O-N 2.97Å
111	M	96.6	Very high	95	Very high	26 Å²	26	47.4 Å²	47.4	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-40	174.1	-75.3	-56.1	-59.2	0	0	112.7	W26 M107 E108 H109 V113 Q114 Q115 E144 S147 R148 L151	W26-M111 HydrophobicContact CZ2-CG 4.3Å; W26-M111 HydrophobicContact CZ2-SD 4.27Å; M107-M111 PolarHBondContact O-N 2.81Å; E108-M111 WeakPolarHBondContact O-CB 3.5Å; E108-M111 PolarHBondContact O-N 3.2Å; H109-M111 VanDerWaalsContact C-N 3.26Å; H109-M111 PolarHBondContact O-N 2.96Å; M111-V113 VanDerWaalsContact C-N 3.32Å; M111-V113 PolarHBondContact O-N 2.87Å; M111-Q114 WeakPolarHBondContact O-CB 3.49Å; M111-Q114 PolarHBondContact O-N 3.45Å; M111-Q114 VanDerWaalsContact O-N 3.17Å; M111-Q115 PolarHBondContact O-N 3.36Å; M111-E144 HydrophobicContact CE-CG 4.37Å; M111-S147 WeakPolarHBondContact SD-CB 3.4Å; M111-R148 HydrophobicContact CE-CB 3.9Å; M111-L151 HydrophobicContact CB-CD2 4.21Å; M111-L151 HydrophobicContact CG-CB 4.15Å; M111-L151 HydrophobicContact CG-CD2 3.57Å; M111-L151 HydrophobicContact CG-CG 4.46Å
112	S	96.5	Very high	94.5	Very high	82 Å²	82	49.7 Å²	49.7	57%	0.573	27%	0.271	S	S	*	.	H	α-helix	trans	-64	-38.7	176.3	-60.3	0	0	0	0	111.8	E108 H109 Q115 G116	E108-S112 PolarHBondContact O-N 3.04Å; E108-S112 PolarHBondContact O-OG 3.11Å; E108-S112 VanDerWaalsContact O-OG 3.11Å; H109-S112 WeakPolarHBondContact O-CB 3.33Å; H109-S112 PolarHBondContact O-N 2.99Å; H109-S112 VanDerWaalsContact O-N 3.12Å; S112-Q115 PolarHBondContact O-N 3.28Å; S112-G116 PolarHBondContact O-N 2.98Å; S112-G116 VanDerWaalsContact O-N 3.08Å
113	V	93.9	Very high	94	Very high	28 Å²	28	54.4 Å²	54.4	17%	0.17	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-44.4	172	171.7	0	0	0	0	110.8	K18 N22 H109 L110 M111 Q115 G116 I117	K18-V113 HydrophobicContact CD-CG1 4.22Å; K18-V113 HydrophobicContact CG-CG1 3.79Å; N22-V113 WeakPolarHBondContact ND2-CG1 3.42Å; H109-V113 WeakPolarHBondContact O-CG2 3.25Å; H109-V113 PolarHBondContact O-N 3.24Å; L110-V113 PolarHBondContact O-N 2.98Å; M111-V113 VanDerWaalsContact C-N 3.32Å; M111-V113 PolarHBondContact O-N 2.87Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-Q115 PolarHBondContact O-N 3.11Å; V113-G116 PolarHBondContact O-N 3.18Å; V113-I117 HydrophobicContact CG1-CD1 4.34Å; V113-I117 WeakPolarHBondContact O-CG1 3.38Å; V113-I117 PolarHBondContact O-N 3.47Å; V113-I117 VanDerWaalsContact O-N 3.08Å
114	Q	92.5	Very high	93.5	Very high	3 Å²	3	59 Å²	59	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-41.3	178.4	-172.8	63.2	33.5	0	0	111.8	L110 M111 I117 Q118 T140 E144	L110-Q114 PolarHBondContact O-N 2.97Å; M111-Q114 WeakPolarHBondContact O-CB 3.49Å; M111-Q114 PolarHBondContact O-N 3.45Å; M111-Q114 VanDerWaalsContact O-N 3.17Å; Q114-I117 WeakPolarHBondContact O-CB 3.34Å; Q114-I117 PolarHBondContact O-N 3.12Å; Q114-I117 VanDerWaalsContact O-N 3.16Å; Q114-Q118 PolarHBondContact O-N 3.26Å; Q114-T140 PolarHBondContact NE2-O 2.97Å; Q114-E144 HydrophobicContact CG-CB 3.8Å; Q114-E144 HydrophobicContact CG-CG 4.04Å
115	Q	92.6	Very high	92.9	Very high	75 Å²	75	62.9 Å²	62.9	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-44.8	174.3	-171.6	61.6	55.1	0	0	111.4	M111 S112 V113 I117 Q118 D119	M111-Q115 PolarHBondContact O-N 3.36Å; S112-Q115 PolarHBondContact O-N 3.28Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-Q115 PolarHBondContact O-N 3.11Å; Q115-I117 PolarHBondContact O-N 3.45Å; Q115-Q118 WeakPolarHBondContact O-CA 3.39Å; Q115-Q118 WeakPolarHBondContact O-CB 3.28Å; Q115-Q118 PolarHBondContact O-N 3.22Å; Q115-D119 PolarHBondContact NE2-OD1 3.09Å; Q115-D119 VanDerWaalsContact O-CG 3.25Å; Q115-D119 PolarHBondContact O-N 3.03Å
116	G	92.1	Very high	92.3	Very high	39 Å²	39	61.8 Å²	61.8	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-29.7	176	0	0	0	0	0	113.6	S112 V113 L120	S112-G116 PolarHBondContact O-N 2.98Å; S112-G116 VanDerWaalsContact O-N 3.08Å; V113-G116 PolarHBondContact O-N 3.18Å; G116-L120 WeakPolarHBondContact O-CB 3.29Å; G116-L120 PolarHBondContact O-N 3.43Å; G116-L120 VanDerWaalsContact O-N 3.16Å
117	I	90.5	Very high	91.5	Very high	10 Å²	10	61.3 Å²	61.3	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-43.2	171.8	-64.9	168.2	0	0	0	110.5	K18 I19 V113 Q114 Q115 L120 E121 T140	K18-I117 HydrophobicContact CB-CD1 3.87Å; K18-I117 HydrophobicContact CG-CD1 3.76Å; K18-I117 HydrophobicContact CG-CG1 4.48Å; I19-I117 HydrophobicContact CD1-CG2 4.34Å; I19-I117 HydrophobicContact CG1-CD1 3.93Å; V113-I117 HydrophobicContact CG1-CD1 4.34Å; V113-I117 WeakPolarHBondContact O-CG1 3.38Å; V113-I117 PolarHBondContact O-N 3.47Å; V113-I117 VanDerWaalsContact O-N 3.08Å; Q114-I117 WeakPolarHBondContact O-CB 3.34Å; Q114-I117 PolarHBondContact O-N 3.12Å; Q114-I117 VanDerWaalsContact O-N 3.16Å; Q115-I117 PolarHBondContact O-N 3.45Å; I117-L120 WeakPolarHBondContact O-CB 3.47Å; I117-L120 PolarHBondContact O-N 2.95Å; I117-E121 WeakPolarHBondContact O-CG 3.47Å; I117-E121 PolarHBondContact O-N 3.42Å; I117-T140 HydrophobicContact CG2-CG2 4.07Å
118	Q	89.1	Confident	90.6	Very high	37 Å²	37	68.7 Å²	68.7	17%	0.173	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-45.6	177.7	-170.9	172	16.7	0	0	112.1	Q114 Q115 L120 E121 E122 T140	Q114-Q118 PolarHBondContact O-N 3.26Å; Q115-Q118 WeakPolarHBondContact O-CA 3.39Å; Q115-Q118 WeakPolarHBondContact O-CB 3.28Å; Q115-Q118 PolarHBondContact O-N 3.22Å; Q118-L120 VanDerWaalsContact C-N 3.29Å; Q118-L120 PolarHBondContact O-N 3.28Å; Q118-E121 PolarHBondContact O-N 3.48Å; Q118-E121 VanDerWaalsContact O-N 3.14Å; Q118-E122 PolarHBondContact O-N 3.37Å; Q118-T140 HydrophobicContact CB-CG2 3.88Å; Q118-T140 HydrophobicContact CG-CG2 4.32Å
119	D	90.7	Very high	89.5	Confident	84 Å²	84	64.7 Å²	64.7	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-40.2	177	-60	-10.2	0	0	0	111	Q115 E121 E122 F123	Q115-D119 PolarHBondContact NE2-OD1 3.09Å; Q115-D119 VanDerWaalsContact O-CG 3.25Å; Q115-D119 PolarHBondContact O-N 3.03Å; D119-E121 VanDerWaalsContact C-N 3.35Å; D119-E122 PolarHBondContact O-N 3.39Å; D119-F123 WeakPolarHBondContact O-CB 3.48Å; D119-F123 PolarHBondContact O-N 3.18Å
120	L	89.4	Confident	88.4	Confident	72 Å²	72	62.9 Å²	62.9	38%	0.377	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-39.7	175.7	-177.5	63.7	0	0	0	111.8	G116 I117 Q118 F123 Q124	G116-L120 WeakPolarHBondContact O-CB 3.29Å; G116-L120 PolarHBondContact O-N 3.43Å; G116-L120 VanDerWaalsContact O-N 3.16Å; I117-L120 WeakPolarHBondContact O-CB 3.47Å; I117-L120 PolarHBondContact O-N 2.95Å; Q118-L120 VanDerWaalsContact C-N 3.29Å; Q118-L120 PolarHBondContact O-N 3.28Å; L120-F123 PolarHBondContact O-N 3.26Å; L120-Q124 HydrophobicContact CD1-CG 4.4Å; L120-Q124 WeakPolarHBondContact O-CB 3.36Å; L120-Q124 VanDerWaalsContact O-CG 3.28Å; L120-Q124 WeakPolarHBondContact O-CG 3.46Å; L120-Q124 PolarHBondContact O-N 3.31Å
121	E	87.4	Confident	87.3	Confident	8 Å²	8	68.2 Å²	68.2	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-69	-41.2	176.4	-72	-150	151.5	0	0	112.7	I117 Q118 D119 F123 Q124 F125 L134 T140	I117-E121 WeakPolarHBondContact O-CG 3.47Å; I117-E121 PolarHBondContact O-N 3.42Å; Q118-E121 PolarHBondContact O-N 3.48Å; Q118-E121 VanDerWaalsContact O-N 3.14Å; D119-E121 VanDerWaalsContact C-N 3.35Å; E121-F123 VanDerWaalsContact C-N 3.29Å; E121-F123 PolarHBondContact O-N 2.95Å; E121-Q124 PolarHBondContact O-N 3.33Å; E121-F125 HydrophobicContact CB-CD2 4.31Å; E121-F125 WeakPolarHBondContact O-CB 3.19Å; E121-F125 WeakPolarHBondContact O-CD2 3.44Å; E121-F125 PolarHBondContact O-N 3.49Å; E121-L134 WeakPolarHBondContact OE1-CD1 3.41Å; E121-L134 WeakPolarHBondContact OE1-CD2 3.33Å; E121-T140 PolarHBondContact OE1-OG1 3.22Å; E121-T140 WeakPolarHBondContact OE2-CB 3.43Å; E121-T140 PolarHBondContact OE2-OG1 2.77Å
122	E	88.9	Confident	86.4	Confident	104 Å²	104	72.6 Å²	72.6	49%	0.486	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-42	174.6	178.8	167.7	-169.7	0	0	110.9	Q118 D119 Q124 G126	Q118-E122 PolarHBondContact O-N 3.37Å; D119-E122 PolarHBondContact O-N 3.39Å; E122-Q124 PolarHBondContact O-N 3.4Å; E122-G126 WeakPolarHBondContact CA-O 3.48Å; E122-G126 CarbonylContact O-C 3.59Å; E122-G126 WeakPolarHBondContact O-CA 3.46Å; E122-G126 PolarHBondContact O-N 3.45Å
123	F	88	Confident	85.6	Confident	177 Å²	177	71.2 Å²	71.2	78%	0.776	38%	0.378	S	S	*	.	H	α-helix	trans	-63.1	-40.8	175.3	179.3	-99.3	0	0	0	112.9	D119 L120 E121	D119-F123 WeakPolarHBondContact O-CB 3.48Å; D119-F123 PolarHBondContact O-N 3.18Å; L120-F123 PolarHBondContact O-N 3.26Å; E121-F123 VanDerWaalsContact C-N 3.29Å; E121-F123 PolarHBondContact O-N 2.95Å
124	Q	87	Confident	84.7	Confident	105 Å²	105	70.8 Å²	70.8	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-81.7	-33.9	-175.9	-73	-180	11.2	0	0	113.9	L120 E121 E122	L120-Q124 HydrophobicContact CD1-CG 4.4Å; L120-Q124 WeakPolarHBondContact O-CB 3.36Å; L120-Q124 VanDerWaalsContact O-CG 3.28Å; L120-Q124 WeakPolarHBondContact O-CG 3.46Å; L120-Q124 PolarHBondContact O-N 3.31Å; E121-Q124 PolarHBondContact O-N 3.33Å; E122-Q124 PolarHBondContact O-N 3.4Å
125	F	85.9	Confident	84.1	Confident	88 Å²	88	72.1 Å²	72.1	39%	0.386	38%	0.384	S	S	.	.	H	α-helix	trans	-123.8	-3.7	-168.5	-54.3	-69.5	0	0	0	113.6	E121 R130	E121-F125 HydrophobicContact CB-CD2 4.31Å; E121-F125 WeakPolarHBondContact O-CB 3.19Å; E121-F125 WeakPolarHBondContact O-CD2 3.44Å; E121-F125 PolarHBondContact O-N 3.49Å; F125-R130 HydrophobicContact CD2-CB 3.96Å; F125-R130 HydrophobicContact CE2-CB 4.26Å; F125-R130 HydrophobicContact CG-CB 4.22Å
126	G	85.9	Confident	83.6	Confident	25 Å²	25	73.7 Å²	73.7	26%	0.258	39%	0.391	S	S	.	.			trans	86.3	179.7	-175	0	0	0	0	0	113.2	E122 E128 G129	E122-G126 WeakPolarHBondContact CA-O 3.48Å; E122-G126 CarbonylContact O-C 3.59Å; E122-G126 WeakPolarHBondContact O-CA 3.46Å; E122-G126 PolarHBondContact O-N 3.45Å; G126-E128 PolarHBondContact O-N 3.17Å; G126-E128 VanDerWaalsContact O-N 3.17Å; G126-G129 WeakPolarHBondContact O-CA 3.34Å; G126-G129 PolarHBondContact O-N 2.97Å
127	P	82.8	Confident	83.2	Confident	96 Å²	96	75.2 Å²	75.2	62%	0.623	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.6	-171.3	25.3	-35.3	0	0	0	114.6	G129 K141	P127-G129 PolarHBondContact O-N 2.89Å; P127-K141 PolarHBondContact O-NZ 3.48Å
128	E	78.2	Confident	83.2	Confident	155 Å²	155	76.8 Å²	76.8	72%	0.724	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.5	172.9	-65.9	-61.5	157.3	0	0	112.5	G126	G126-E128 PolarHBondContact O-N 3.17Å; G126-E128 VanDerWaalsContact O-N 3.17Å
129	G	75.9	Confident	83	Confident	14 Å²	14	78.9 Å²	78.9	14%	0.144	41%	0.409	C	S	.	.			trans	65.5	-166.8	-176	0	0	0	0	0	112.5	G126 P127	G126-G129 WeakPolarHBondContact O-CA 3.34Å; G126-G129 PolarHBondContact O-N 2.97Å; P127-G129 PolarHBondContact O-N 2.89Å
130	R	75.9	Confident	82.8	Confident	84 Å²	84	75 Å²	75	32%	0.317	39%	0.388	S	S	.	.			trans	-65.8	137.4	175.5	-175.7	-172.6	-82.9	-168.1	-2.4	110.5	F125 L132	F125-R130 HydrophobicContact CD2-CB 3.96Å; F125-R130 HydrophobicContact CE2-CB 4.26Å; F125-R130 HydrophobicContact CG-CB 4.22Å; R130-L132 WeakPolarHBondContact CD-O 3.49Å; R130-L132 HydrophobicContact CG-CB 4.19Å; R130-L132 VanDerWaalsContact CG-O 3.25Å; R130-L132 WeakPolarHBondContact CG-O 3.38Å
131	T	74.4	Confident	82.7	Confident	120 Å²	120	75.9 Å²	75.9	74%	0.736	39%	0.389	S	S	*	.	S	Bend	trans	-75.1	-32.1	175	54.1	0	0	0	0	113.1
132	L	76.8	Confident	82.8	Confident	119 Å²	119	78.6 Å²	78.6	62%	0.623	40%	0.402	S	S	*	.	S	Bend	trans	-85.9	143.5	177.8	-66.5	170.7	0	0	0	112.3	R130	R130-L132 WeakPolarHBondContact CD-O 3.49Å; R130-L132 HydrophobicContact CG-CB 4.19Å; R130-L132 VanDerWaalsContact CG-O 3.25Å; R130-L132 WeakPolarHBondContact CG-O 3.38Å
133	P	78.8	Confident	82.9	Confident	53 Å²	53	73.7 Å²	73.7	34%	0.344	38%	0.379	S	S	.	.			trans	-57.4	151.7	171.9	-24	34	0	0	0	113	H136 W138	P133-H136 WeakPolarHBondContact CB-O 3.46Å; P133-W138 WeakPolarHBondContact CA-O 3.43Å
134	L	76.3	Confident	83.1	Confident	18 Å²	18	65.8 Å²	65.8	9%	0.094	34%	0.344	C	S	.	.	S	Bend	trans	-85.4	-32.6	175.5	-79.9	153.3	0	0	0	113	A16 I19 E121 W138 T140 F143	A16-L134 HydrophobicContact CB-CD2 4.13Å; I19-L134 HydrophobicContact CD1-CB 4.23Å; I19-L134 HydrophobicContact CD1-CD1 3.5Å; I19-L134 VanDerWaalsContact CD1-CD1 3.5Å; I19-L134 HydrophobicContact CD1-CG 4.33Å; E121-L134 WeakPolarHBondContact OE1-CD1 3.41Å; E121-L134 WeakPolarHBondContact OE1-CD2 3.33Å; L134-W138 PolarHBondContact N-O 3.26Å; L134-T140 WeakPolarHBondContact CD1-OG1 3.44Å; L134-F143 HydrophobicContact CB-CE2 4.43Å
135	C	80.1	Confident	83.4	Confident	32 Å²	32	66 Å²	66	22%	0.216	35%	0.345	C	S	.	.	S	Bend	trans	-121.3	-113	177	-59.8	0	0	0	0	109.7	F143 E204	C135-F143 HydrophobicContact CB-CZ 4.07Å; C135-E204 WeakPolarHBondContact CB-O 3.45Å
136	H	80.7	Confident	83.7	Confident	107 Å²	107	62.9 Å²	62.9	50%	0.495	34%	0.335	S	S	.	.	S	Bend	trans	-80.4	-73.8	177.9	-84.1	92.5	0	0	0	111.9	P133 E204	P133-H136 WeakPolarHBondContact CB-O 3.46Å; H136-E204 WeakPolarHBondContact CB-OE2 3.48Å; H136-E204 PolarHBondContact N-O 3.11Å; H136-E204 PolarHBondContact ND1-O 3.42Å
137	S	85.5	Confident	84.1	Confident	71 Å²	71	61.9 Å²	61.9	50%	0.497	32%	0.323	S	S	.	.	S	Bend	trans	-120.3	-22.1	-173.3	79.4	0	0	0	0	113.2	E204	S137-E204 PolarHBondContact N-OE2 3.42Å; S137-E204 VanDerWaalsContact OG-CD 3.24Å; S137-E204 PolarHBondContact OG-OE1 3.09Å; S137-E204 PolarHBondContact OG-OE2 3.19Å
138	W	88.5	Confident	84.7	Confident	43 Å²	43	63 Å²	63	16%	0.163	32%	0.315	C	S	.	.			trans	-82.8	143.6	-175.7	-72	15.5	0	0	0	114.5	P133 L134 E142 F143 S146 A200 L201 E204	P133-W138 WeakPolarHBondContact CA-O 3.43Å; L134-W138 PolarHBondContact N-O 3.26Å; W138-E142 HydrophobicContact CB-CB 3.96Å; W138-E142 HydrophobicContact CD2-CB 3.68Å; W138-E142 HydrophobicContact CE3-CB 3.91Å; W138-E142 HydrophobicContact CG-CB 3.71Å; W138-E142 HydrophobicContact CG-CG 4.4Å; W138-F143 HydrophobicContact CB-CD2 4.01Å; W138-F143 HydrophobicContact CB-CE1 4.44Å; W138-F143 HydrophobicContact CB-CE2 3.49Å; W138-F143 VanDerWaalsContact CB-CE2 3.49Å; W138-F143 HydrophobicContact CB-CZ 3.73Å; W138-F143 AromaticContact CE3-CD1 3.61Å; W138-F143 HydrophobicContact CE3-CD1 3.61Å; W138-F143 HydrophobicContact CE3-CD2 4.42Å; W138-F143 AromaticContact CE3-CE1 3.7Å; W138-F143 HydrophobicContact CE3-CE1 3.7Å; W138-F143 AromaticContact CE3-CG 3.96Å; W138-F143 HydrophobicContact CE3-CG 3.96Å; W138-F143 HydrophobicContact CE3-CZ 4.15Å; W138-F143 HydrophobicContact CG-CZ 4.49Å; W138-F143 HydrophobicContact CZ3-CD1 4.1Å; W138-F143 HydrophobicContact CZ3-CE1 4.34Å; W138-S146 WeakPolarHBondContact CH2-OG 3.45Å; W138-S146 WeakPolarHBondContact CZ3-OG 3.37Å; W138-A200 HydrophobicContact CH2-CB 4.07Å; W138-A200 HydrophobicContact CZ2-CB 4Å; W138-L201 HydrophobicContact CZ3-CD1 3.99Å; W138-E204 HydrophobicContact CB-CG 4.5Å; W138-E204 HydrophobicContact CD2-CB 4.23Å; W138-E204 HydrophobicContact CD2-CG 3.63Å; W138-E204 HydrophobicContact CE3-CB 4.45Å; W138-E204 HydrophobicContact CE3-CG 4.25Å; W138-E204 HydrophobicContact CG-CB 4.38Å; W138-E204 HydrophobicContact CG-CG 3.73Å; W138-E204 HydrophobicContact CZ2-CG 4.12Å; W138-E204 PolarHBondContact N-OE2 2.99Å; W138-E204 VanDerWaalsContact N-OE2 3.17Å
139	K	86.2	Confident	85.5	Confident	82 Å²	82	59.3 Å²	59.3	36%	0.357	30%	0.303	S	S	.	.			trans	-92.3	178.4	162.6	-45.4	172.8	176.4	176.1	0	108.9	K141 E142 F143	K139-K141 PolarHBondContact O-N 3.26Å; K139-E142 WeakPolarHBondContact CA-OE2 3.45Å; K139-E142 WeakPolarHBondContact CB-OE2 3.41Å; K139-E142 PolarHBondContact N-OE2 2.87Å; K139-E142 PolarHBondContact O-N 3.49Å; K139-F143 WeakPolarHBondContact O-CD2 3.42Å; K139-F143 PolarHBondContact O-N 3.01Å
140	T	86.4	Confident	86.4	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-34.2	-178.4	-65	0	0	0	0	113.4	Q114 I117 Q118 E121 L134 F143 E144	Q114-T140 PolarHBondContact NE2-O 2.97Å; I117-T140 HydrophobicContact CG2-CG2 4.07Å; Q118-T140 HydrophobicContact CB-CG2 3.88Å; Q118-T140 HydrophobicContact CG-CG2 4.32Å; E121-T140 PolarHBondContact OE1-OG1 3.22Å; E121-T140 WeakPolarHBondContact OE2-CB 3.43Å; E121-T140 PolarHBondContact OE2-OG1 2.77Å; L134-T140 WeakPolarHBondContact CD1-OG1 3.44Å; T140-F143 PolarHBondContact O-N 3.35Å; T140-E144 WeakPolarHBondContact O-CB 3.4Å; T140-E144 PolarHBondContact O-N 3.47Å
141	K	86.4	Confident	87.5	Confident	91 Å²	91	56.2 Å²	56.2	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-43.3	-177.8	-70	-176.2	179.9	174	0	111.2	P127 K139 F143 E144 E145	P127-K141 PolarHBondContact O-NZ 3.48Å; K139-K141 PolarHBondContact O-N 3.26Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 PolarHBondContact O-N 3.38Å; K141-E144 PolarHBondContact O-N 2.94Å; K141-E144 VanDerWaalsContact O-N 3.17Å; K141-E145 WeakPolarHBondContact O-CB 3.39Å; K141-E145 WeakPolarHBondContact O-CG 3.49Å; K141-E145 PolarHBondContact O-N 3.19Å
142	E	90.7	Very high	88.5	Confident	64 Å²	64	53.4 Å²	53.4	30%	0.299	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-35.9	179.4	-62.7	83.4	171.1	0	0	112	W138 K139 S146	W138-E142 HydrophobicContact CB-CB 3.96Å; W138-E142 HydrophobicContact CD2-CB 3.68Å; W138-E142 HydrophobicContact CE3-CB 3.91Å; W138-E142 HydrophobicContact CG-CB 3.71Å; W138-E142 HydrophobicContact CG-CG 4.4Å; K139-E142 WeakPolarHBondContact CA-OE2 3.45Å; K139-E142 WeakPolarHBondContact CB-OE2 3.41Å; K139-E142 PolarHBondContact N-OE2 2.87Å; K139-E142 PolarHBondContact O-N 3.49Å; E142-S146 VanDerWaalsContact O-CB 3.31Å; E142-S146 WeakPolarHBondContact O-CB 3.45Å; E142-S146 PolarHBondContact O-N 3.47Å; E142-S146 PolarHBondContact O-OG 3.41Å
143	F	90.9	Very high	89.5	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-41.1	172.3	-74.6	-68.3	0	0	0	112.2	I19 L134 C135 W138 K139 T140 K141 S147 L201 E204 T205	I19-F143 HydrophobicContact CD1-CD2 3.91Å; I19-F143 HydrophobicContact CD1-CE2 4.31Å; I19-F143 HydrophobicContact CD1-CG 4.41Å; I19-F143 HydrophobicContact CG2-CD1 3.6Å; I19-F143 HydrophobicContact CG2-CD2 3.96Å; I19-F143 HydrophobicContact CG2-CE1 3.62Å; I19-F143 HydrophobicContact CG2-CE2 3.95Å; I19-F143 HydrophobicContact CG2-CG 3.82Å; I19-F143 HydrophobicContact CG2-CZ 3.8Å; L134-F143 HydrophobicContact CB-CE2 4.43Å; C135-F143 HydrophobicContact CB-CZ 4.07Å; W138-F143 HydrophobicContact CB-CD2 4.01Å; W138-F143 HydrophobicContact CB-CE1 4.44Å; W138-F143 HydrophobicContact CB-CE2 3.49Å; W138-F143 VanDerWaalsContact CB-CE2 3.49Å; W138-F143 HydrophobicContact CB-CZ 3.73Å; W138-F143 AromaticContact CE3-CD1 3.61Å; W138-F143 HydrophobicContact CE3-CD1 3.61Å; W138-F143 HydrophobicContact CE3-CD2 4.42Å; W138-F143 AromaticContact CE3-CE1 3.7Å; W138-F143 HydrophobicContact CE3-CE1 3.7Å; W138-F143 AromaticContact CE3-CG 3.96Å; W138-F143 HydrophobicContact CE3-CG 3.96Å; W138-F143 HydrophobicContact CE3-CZ 4.15Å; W138-F143 HydrophobicContact CG-CZ 4.49Å; W138-F143 HydrophobicContact CZ3-CD1 4.1Å; W138-F143 HydrophobicContact CZ3-CE1 4.34Å; K139-F143 WeakPolarHBondContact O-CD2 3.42Å; K139-F143 PolarHBondContact O-N 3.01Å; T140-F143 PolarHBondContact O-N 3.35Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 PolarHBondContact O-N 3.38Å; F143-S147 VanDerWaalsContact O-CB 3.29Å; F143-S147 WeakPolarHBondContact O-CB 3.48Å; F143-S147 PolarHBondContact O-N 3.14Å; F143-S147 PolarHBondContact O-OG 3.3Å; F143-L201 HydrophobicContact CD1-CD1 3.49Å; F143-L201 VanDerWaalsContact CD1-CD1 3.49Å; F143-L201 HydrophobicContact CE1-CD1 4Å; F143-E204 HydrophobicContact CE1-CB 4.11Å; F143-E204 HydrophobicContact CZ-CB 4.12Å; F143-T205 HydrophobicContact CE1-CG2 3.7Å; F143-T205 HydrophobicContact CZ-CG2 4.23Å
144	E	91.8	Very high	90.4	Very high	11 Å²	11	45.9 Å²	45.9	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-70.3	-46.6	-179.5	-172.8	-90.2	149.1	0	0	111.9	M111 Q114 T140 K141 S146 S147 R148	M111-E144 HydrophobicContact CE-CG 4.37Å; Q114-E144 HydrophobicContact CG-CB 3.8Å; Q114-E144 HydrophobicContact CG-CG 4.04Å; T140-E144 WeakPolarHBondContact O-CB 3.4Å; T140-E144 PolarHBondContact O-N 3.47Å; K141-E144 PolarHBondContact O-N 2.94Å; K141-E144 VanDerWaalsContact O-N 3.17Å; E144-S146 PolarHBondContact O-N 3.25Å; E144-S147 PolarHBondContact O-N 3.36Å; E144-R148 WeakPolarHBondContact O-CB 3.4Å; E144-R148 PolarHBondContact O-N 2.88Å; E144-R148 IonicContact OE1-CZ 3.64Å; E144-R148 IonicContact OE1-NE 3.46Å; E144-R148 IonicContact OE1-NH1 3.65Å; E144-R148 PolarHBondContact OE1-NH1 2.98Å; E144-R148 IonicContact OE1-NH2 3.8Å; E144-R148 PolarHBondContact OE1-NH2 3.26Å; E144-R148 IonicContact OE2-CZ 3.1Å; E144-R148 IonicContact OE2-NH1 2.76Å; E144-R148 IonicContact OE2-NH2 3.63Å; E144-R148 PolarHBondContact OE2-NH2 3.15Å
145	E	92.5	Very high	91.5	Very high	110 Å²	110	46.2 Å²	46.2	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-58.1	-47.9	173.9	-74.2	175.9	-176.1	0	0	112	K141 R148 V149	K141-E145 WeakPolarHBondContact O-CB 3.39Å; K141-E145 WeakPolarHBondContact O-CG 3.49Å; K141-E145 PolarHBondContact O-N 3.19Å; E145-R148 PolarHBondContact O-N 3.34Å; E145-V149 WeakPolarHBondContact O-CG2 3.39Å; E145-V149 PolarHBondContact O-N 2.94Å; E145-V149 VanDerWaalsContact O-N 3.1Å
146	S	92.9	Very high	92.4	Very high	23 Å²	23	48.3 Å²	48.3	16%	0.161	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-44.7	179.2	-62.4	0	0	0	0	111.7	W138 E142 E144 R148 V149 L150	W138-S146 WeakPolarHBondContact CH2-OG 3.45Å; W138-S146 WeakPolarHBondContact CZ3-OG 3.37Å; E142-S146 VanDerWaalsContact O-CB 3.31Å; E142-S146 WeakPolarHBondContact O-CB 3.45Å; E142-S146 PolarHBondContact O-N 3.47Å; E142-S146 PolarHBondContact O-OG 3.41Å; E144-S146 PolarHBondContact O-N 3.25Å; S146-R148 VanDerWaalsContact C-N 3.32Å; S146-R148 PolarHBondContact O-N 3.08Å; S146-V149 PolarHBondContact O-N 3.26Å; S146-L150 WeakPolarHBondContact O-CG 3.39Å; S146-L150 PolarHBondContact O-N 3.04Å
147	S	94.1	Very high	93.2	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-34.5	178.5	-58.3	0	0	0	0	112.3	W26 M111 F143 E144 L150 L151	W26-S147 PolarHBondContact NE1-OG 3.28Å; M111-S147 WeakPolarHBondContact SD-CB 3.4Å; F143-S147 VanDerWaalsContact O-CB 3.29Å; F143-S147 WeakPolarHBondContact O-CB 3.48Å; F143-S147 PolarHBondContact O-N 3.14Å; F143-S147 PolarHBondContact O-OG 3.3Å; E144-S147 PolarHBondContact O-N 3.36Å; S147-L150 WeakPolarHBondContact O-CB 3.35Å; S147-L150 PolarHBondContact O-N 2.92Å; S147-L151 PolarHBondContact O-N 3.04Å
148	R	95.4	Very high	93.8	Very high	119 Å²	119	40.4 Å²	40.4	45%	0.449	20%	0.204	S	C	.	.	H	α-helix	trans	-64.5	-41.2	174.7	170.3	166.1	46.4	-133.5	-13.4	112.1	M111 E144 E145 S146 L150 L151 A152	M111-R148 HydrophobicContact CE-CB 3.9Å; E144-R148 WeakPolarHBondContact O-CB 3.4Å; E144-R148 PolarHBondContact O-N 2.88Å; E144-R148 IonicContact OE1-CZ 3.64Å; E144-R148 IonicContact OE1-NE 3.46Å; E144-R148 IonicContact OE1-NH1 3.65Å; E144-R148 PolarHBondContact OE1-NH1 2.98Å; E144-R148 IonicContact OE1-NH2 3.8Å; E144-R148 PolarHBondContact OE1-NH2 3.26Å; E144-R148 IonicContact OE2-CZ 3.1Å; E144-R148 IonicContact OE2-NH1 2.76Å; E144-R148 IonicContact OE2-NH2 3.63Å; E144-R148 PolarHBondContact OE2-NH2 3.15Å; E145-R148 PolarHBondContact O-N 3.34Å; S146-R148 VanDerWaalsContact C-N 3.32Å; S146-R148 PolarHBondContact O-N 3.08Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L151 PolarHBondContact O-N 3Å; R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 3.02Å
149	V	94.8	Very high	94.3	Very high	79 Å²	79	43.9 Å²	43.9	48%	0.479	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-42.7	174.7	172	0	0	0	0	110.7	E145 S146 A153	E145-V149 WeakPolarHBondContact O-CG2 3.39Å; E145-V149 PolarHBondContact O-N 2.94Å; E145-V149 VanDerWaalsContact O-N 3.1Å; S146-V149 PolarHBondContact O-N 3.26Å; V149-A153 PolarHBondContact O-N 3.38Å
150	L	96.1	Very high	94.9	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-55.2	174.5	-62.2	178.1	0	0	0	110.7	W26 S146 S147 R148 A152 A153 F154 T194 A197 L198 L201	W26-L150 HydrophobicContact CD2-CD1 3.89Å; W26-L150 HydrophobicContact CE3-CB 4.07Å; W26-L150 HydrophobicContact CE3-CD1 3.85Å; W26-L150 HydrophobicContact CG-CD1 4.26Å; W26-L150 HydrophobicContact CH2-CB 3.8Å; W26-L150 HydrophobicContact CZ2-CB 4.4Å; W26-L150 HydrophobicContact CZ3-CB 3.6Å; W26-L150 HydrophobicContact CZ3-CD1 4.26Å; S146-L150 WeakPolarHBondContact O-CG 3.39Å; S146-L150 PolarHBondContact O-N 3.04Å; S147-L150 WeakPolarHBondContact O-CB 3.35Å; S147-L150 PolarHBondContact O-N 2.92Å; R148-L150 VanDerWaalsContact C-N 3.32Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.83Å; L150-A153 PolarHBondContact O-N 3.31Å; L150-F154 VanDerWaalsContact O-CD2 3.25Å; L150-F154 WeakPolarHBondContact O-CD2 3.42Å; L150-F154 PolarHBondContact O-N 3.15Å; L150-F154 VanDerWaalsContact O-N 3.16Å; L150-T194 HydrophobicContact CD2-CG2 3.52Å; L150-T194 WeakPolarHBondContact CD2-O 3.49Å; L150-A197 HydrophobicContact CD2-CB 4.14Å; L150-L198 HydrophobicContact CD1-CB 4.44Å; L150-L198 HydrophobicContact CD1-CD1 4.23Å; L150-L198 HydrophobicContact CD2-CB 4.24Å; L150-L201 HydrophobicContact CD1-CD2 4.4Å
151	L	97.3	Very high	95.5	Very high	29 Å²	29	41.4 Å²	41.4	15%	0.152	21%	0.21	C	C	.	.	H	α-helix	trans	-56.1	-47.2	-178.3	178.8	59	0	0	0	111.7	W26 V104 M107 E108 M111 S147 R148 A153 F154 S155	W26-L151 HydrophobicContact CH2-CB 3.99Å; V104-L151 HydrophobicContact CG1-CD1 4.25Å; M107-L151 HydrophobicContact CB-CD1 3.79Å; E108-L151 HydrophobicContact CG-CD1 3.78Å; E108-L151 HydrophobicContact CG-CD2 4.05Å; M111-L151 HydrophobicContact CB-CD2 4.21Å; M111-L151 HydrophobicContact CG-CB 4.15Å; M111-L151 HydrophobicContact CG-CD2 3.57Å; M111-L151 HydrophobicContact CG-CG 4.46Å; S147-L151 PolarHBondContact O-N 3.04Å; R148-L151 PolarHBondContact O-N 3Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 3.21Å; L151-F154 PolarHBondContact O-N 3.1Å; L151-S155 WeakPolarHBondContact CD1-OG 3.47Å; L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 2.9Å; L151-S155 PolarHBondContact O-OG 3.49Å; L151-S155 VanDerWaalsContact O-OG 3.05Å
152	A	97.2	Very high	96.1	Very high	60 Å²	60	40.8 Å²	40.8	50%	0.496	21%	0.209	S	C	.	.	H	α-helix	trans	-58.4	-42.5	-178.6	0	0	0	0	0	112.4	R148 L150 Q156	R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 3.02Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.83Å; A152-Q156 WeakPolarHBondContact O-CB 3.36Å; A152-Q156 PolarHBondContact O-N 3.24Å
153	A	97.4	Very high	96.4	Very high	12 Å²	12	41.5 Å²	41.5	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-51.4	177.6	0	0	0	0	0	112	V149 L150 L151 Q156 E157 F189 T194	V149-A153 PolarHBondContact O-N 3.38Å; L150-A153 PolarHBondContact O-N 3.31Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 3.21Å; A153-Q156 PolarHBondContact O-N 3.23Å; A153-E157 WeakPolarHBondContact O-CB 3.38Å; A153-E157 PolarHBondContact O-N 3.35Å; A153-F189 WeakPolarHBondContact CB-O 3.47Å; A153-T194 HydrophobicContact CB-CG2 3.82Å
154	F	98.1	Very high	96.8	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-38.5	-179.4	-76.6	-80.7	0	0	0	112.8	M30 W33 V104 M107 L150 L151 Q156 E157 L158 I190 T194	M30-F154 HydrophobicContact CB-CZ 4.46Å; M30-F154 HydrophobicContact CG-CZ 3.97Å; W33-F154 HydrophobicContact CB-CE1 4.1Å; W33-F154 AromaticContact CD1-CE1 3.59Å; W33-F154 AromaticContact CD2-CD1 3.61Å; W33-F154 HydrophobicContact CD2-CD1 3.61Å; W33-F154 AromaticContact CD2-CE1 3.82Å; W33-F154 HydrophobicContact CD2-CE1 3.82Å; W33-F154 AromaticContact CE2-CD1 3.76Å; W33-F154 AromaticContact CE3-CD1 3.96Å; W33-F154 HydrophobicContact CE3-CD1 3.96Å; W33-F154 AromaticContact CG-CD1 3.89Å; W33-F154 HydrophobicContact CG-CD1 3.89Å; W33-F154 AromaticContact CG-CE1 3.56Å; W33-F154 HydrophobicContact CG-CE1 3.56Å; W33-F154 HydrophobicContact CZ2-CD1 4.24Å; W33-F154 HydrophobicContact CZ3-CD1 4.41Å; W33-F154 AromaticContact NE1-CE1 3.84Å; V104-F154 HydrophobicContact CG2-CB 4.3Å; M107-F154 HydrophobicContact CE-CB 4.39Å; M107-F154 HydrophobicContact CE-CD1 3.92Å; M107-F154 HydrophobicContact CE-CD2 3.7Å; M107-F154 HydrophobicContact CE-CE1 4.1Å; M107-F154 HydrophobicContact CE-CE2 3.93Å; M107-F154 HydrophobicContact CE-CG 3.73Å; M107-F154 HydrophobicContact CE-CZ 4.14Å; M107-F154 HydrophobicContact SD-CB 3.67Å; M107-F154 HydrophobicContact SD-CD1 4.3Å; M107-F154 HydrophobicContact SD-CD2 3.79Å; M107-F154 HydrophobicContact SD-CG 3.66Å; L150-F154 VanDerWaalsContact O-CD2 3.25Å; L150-F154 WeakPolarHBondContact O-CD2 3.42Å; L150-F154 PolarHBondContact O-N 3.15Å; L150-F154 VanDerWaalsContact O-N 3.16Å; L151-F154 PolarHBondContact O-N 3.1Å; F154-Q156 VanDerWaalsContact C-N 3.31Å; F154-Q156 PolarHBondContact O-N 3.09Å; F154-E157 PolarHBondContact O-N 3.12Å; F154-L158 WeakPolarHBondContact O-CB 3.37Å; F154-L158 PolarHBondContact O-N 3.47Å; F154-I190 HydrophobicContact CD1-CD1 3.6Å; F154-I190 HydrophobicContact CE1-CD1 3.52Å; F154-I190 HydrophobicContact CG-CD1 4.33Å; F154-I190 HydrophobicContact CZ-CD1 4.16Å; F154-I190 HydrophobicContact CZ-CG2 4.42Å; F154-T194 HydrophobicContact CE2-CG2 4.27Å
155	S	98.4	Very high	97.1	Very high	25 Å²	25	41.9 Å²	41.9	18%	0.175	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-37.1	175.8	-64.4	0	0	0	0	111.9	V104 L151 K159	V104-S155 WeakPolarHBondContact CG1-OG 3.3Å; L151-S155 WeakPolarHBondContact CD1-OG 3.47Å; L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 2.9Å; L151-S155 PolarHBondContact O-OG 3.49Å; L151-S155 VanDerWaalsContact O-OG 3.05Å; S155-K159 WeakPolarHBondContact O-CG 3.36Å; S155-K159 PolarHBondContact O-N 3.38Å
156	Q	98.4	Very high	97.2	Very high	75 Å²	75	41.6 Å²	41.6	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-73.2	-40.8	177.4	-172	61.9	20	0	0	111.9	A152 A153 F154 L158 K159 L160 F189	A152-Q156 WeakPolarHBondContact O-CB 3.36Å; A152-Q156 PolarHBondContact O-N 3.24Å; A153-Q156 PolarHBondContact O-N 3.23Å; F154-Q156 VanDerWaalsContact C-N 3.31Å; F154-Q156 PolarHBondContact O-N 3.09Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3.1Å; Q156-K159 PolarHBondContact O-N 3.37Å; Q156-L160 PolarHBondContact O-N 3.49Å; Q156-F189 HydrophobicContact CB-CB 4.08Å; Q156-F189 HydrophobicContact CB-CD1 4.37Å; Q156-F189 HydrophobicContact CB-CG 4.16Å; Q156-F189 HydrophobicContact CG-CB 3.96Å; Q156-F189 HydrophobicContact CG-CD1 3.4Å; Q156-F189 HydrophobicContact CG-CD2 3.93Å; Q156-F189 HydrophobicContact CG-CE1 3.76Å; Q156-F189 HydrophobicContact CG-CE2 4.24Å; Q156-F189 HydrophobicContact CG-CG 3.49Å; Q156-F189 VanDerWaalsContact CG-CG 3.49Å; Q156-F189 HydrophobicContact CG-CZ 4.17Å
157	E	98.6	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-40	174.8	-174.8	62.8	-153.4	0	0	111.8	W33 A153 F154 K159 L160 K161 Q187 P188 F189 I190	W33-E157 HydrophobicContact CZ2-CB 4.16Å; W33-E157 HydrophobicContact CZ2-CG 3.72Å; A153-E157 WeakPolarHBondContact O-CB 3.38Å; A153-E157 PolarHBondContact O-N 3.35Å; F154-E157 PolarHBondContact O-N 3.12Å; E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 3.38Å; E157-L160 WeakPolarHBondContact O-CB 3.33Å; E157-L160 PolarHBondContact O-N 3.46Å; E157-K161 PolarHBondContact O-N 3.26Å; E157-K161 VanDerWaalsContact OE1-CE 3.29Å; E157-K161 WeakPolarHBondContact OE1-CE 3.5Å; E157-K161 IonicContact OE1-NZ 2.92Å; E157-K161 PolarHBondContact OE1-NZ 3.37Å; E157-Q187 HydrophobicContact CG-CB 4.33Å; E157-Q187 WeakPolarHBondContact OE1-CA 3.4Å; E157-Q187 WeakPolarHBondContact OE2-CA 3.43Å; E157-P188 WeakPolarHBondContact OE2-CD 3.41Å; E157-F189 HydrophobicContact CB-CB 4.08Å; E157-F189 WeakPolarHBondContact OE2-CB 3.33Å; E157-F189 PolarHBondContact OE2-N 3.45Å; E157-F189 VanDerWaalsContact OE2-N 3.1Å; E157-I190 HydrophobicContact CB-CD1 3.86Å; E157-I190 HydrophobicContact CB-CG1 3.77Å; E157-I190 HydrophobicContact CG-CD1 3.73Å; E157-I190 HydrophobicContact CG-CG1 3.94Å
158	L	98.8	Very high	97.2	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-43.8	175.8	177.5	60.5	0	0	0	111.9	W33 V97 M100 V101 V104 F154 Q156 L160 K161 Q162	W33-L158 HydrophobicContact CH2-CB 3.96Å; W33-L158 HydrophobicContact CH2-CD1 4.4Å; W33-L158 HydrophobicContact CZ3-CB 4.44Å; V97-L158 HydrophobicContact CG1-CD1 4.37Å; M100-L158 HydrophobicContact CB-CD1 3.83Å; V101-L158 HydrophobicContact CB-CD2 4.4Å; V101-L158 HydrophobicContact CG2-CD1 4.05Å; V101-L158 HydrophobicContact CG2-CD2 4.03Å; V104-L158 HydrophobicContact CB-CD2 3.84Å; V104-L158 HydrophobicContact CG1-CD2 4.27Å; V104-L158 HydrophobicContact CG2-CB 4.14Å; V104-L158 HydrophobicContact CG2-CD2 3.66Å; V104-L158 HydrophobicContact CG2-CG 4.48Å; F154-L158 WeakPolarHBondContact O-CB 3.37Å; F154-L158 PolarHBondContact O-N 3.47Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3.1Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.24Å; L158-K161 PolarHBondContact O-N 3.44Å; L158-Q162 HydrophobicContact CD1-CG 4.32Å; L158-Q162 WeakPolarHBondContact O-CG 3.47Å; L158-Q162 PolarHBondContact O-N 3.03Å
159	K	98.7	Very high	96.9	Very high	116 Å²	116	39.7 Å²	39.7	50%	0.504	22%	0.215	S	C	.	.	H	α-helix	trans	-59	-42.5	177	-69.9	170.4	-172	173.4	0	111.4	S155 Q156 E157 Q162 V163	S155-K159 WeakPolarHBondContact O-CG 3.36Å; S155-K159 PolarHBondContact O-N 3.38Å; Q156-K159 PolarHBondContact O-N 3.37Å; E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 3.38Å; K159-Q162 PolarHBondContact O-N 2.91Å; K159-V163 WeakPolarHBondContact O-CG2 3.47Å; K159-V163 PolarHBondContact O-N 2.95Å
160	L	98.6	Very high	96.6	Very high	32 Å²	32	42.5 Å²	42.5	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-47.1	175.1	173.7	62.5	0	0	0	111.4	Q156 E157 L158 Q162 V163 I164 C183 P188 F189	Q156-L160 PolarHBondContact O-N 3.49Å; E157-L160 WeakPolarHBondContact O-CB 3.33Å; E157-L160 PolarHBondContact O-N 3.46Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.24Å; L160-Q162 VanDerWaalsContact C-N 3.29Å; L160-Q162 PolarHBondContact O-N 2.98Å; L160-V163 WeakPolarHBondContact O-CB 3.47Å; L160-V163 PolarHBondContact O-N 3.26Å; L160-V163 VanDerWaalsContact O-N 3.12Å; L160-I164 HydrophobicContact CD1-CD1 4.06Å; L160-I164 HydrophobicContact CD1-CG1 4.27Å; L160-I164 HydrophobicContact CG-CD1 3.93Å; L160-I164 WeakPolarHBondContact O-CG1 3.24Å; L160-I164 PolarHBondContact O-N 2.89Å; L160-C183 HydrophobicContact CD2-CB 4.11Å; L160-P188 HydrophobicContact CD2-CG 3.55Å; L160-F189 HydrophobicContact CB-CD2 4.01Å; L160-F189 HydrophobicContact CB-CE2 3.88Å; L160-F189 HydrophobicContact CD2-CD2 3.78Å; L160-F189 HydrophobicContact CD2-CE2 3.73Å; L160-F189 HydrophobicContact CG-CE2 4.28Å
161	K	98.6	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-34.5	179	-68.7	-174	-172.8	-59.7	0	112.6	W33 N37 M100 E157 L158 I164 L165 W184	W33-K161 HydrophobicContact CZ2-CD 4.11Å; N37-K161 VanDerWaalsContact OD1-CE 3.28Å; N37-K161 WeakPolarHBondContact OD1-CE 3.1Å; N37-K161 PolarHBondContact OD1-NZ 3.08Å; M100-K161 HydrophobicContact CE-CD 3.86Å; M100-K161 HydrophobicContact SD-CD 3.47Å; M100-K161 WeakPolarHBondContact SD-CD 3.44Å; E157-K161 PolarHBondContact O-N 3.26Å; E157-K161 VanDerWaalsContact OE1-CE 3.29Å; E157-K161 WeakPolarHBondContact OE1-CE 3.5Å; E157-K161 IonicContact OE1-NZ 2.92Å; E157-K161 PolarHBondContact OE1-NZ 3.37Å; L158-K161 PolarHBondContact O-N 3.44Å; K161-I164 PolarHBondContact O-N 3.4Å; K161-L165 WeakPolarHBondContact O-CB 3.46Å; K161-L165 PolarHBondContact O-N 3.49Å; K161-W184 HydrophobicContact CB-CE3 4.32Å; K161-W184 HydrophobicContact CB-CH2 4.08Å; K161-W184 HydrophobicContact CB-CZ3 3.81Å; K161-W184 HydrophobicContact CD-CD2 4.49Å; K161-W184 HydrophobicContact CD-CH2 4.23Å; K161-W184 HydrophobicContact CD-CZ2 4.13Å; K161-W184 HydrophobicContact CD-CZ3 4.44Å; K161-W184 HydrophobicContact CG-CD2 4.4Å; K161-W184 HydrophobicContact CG-CE3 4.06Å; K161-W184 HydrophobicContact CG-CH2 4.27Å; K161-W184 HydrophobicContact CG-CZ3 4.01Å; K161-W184 PolarHBondContact NZ-O 3.49Å
162	Q	98.6	Very high	95.8	Very high	77 Å²	77	45.8 Å²	45.8	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-42.3	171.9	-73.4	175	-37.4	0	0	112	V97 L158 K159 L160 L165 Q166	V97-Q162 HydrophobicContact CG1-CG 3.72Å; L158-Q162 HydrophobicContact CD1-CG 4.32Å; L158-Q162 WeakPolarHBondContact O-CG 3.47Å; L158-Q162 PolarHBondContact O-N 3.03Å; K159-Q162 PolarHBondContact O-N 2.91Å; L160-Q162 VanDerWaalsContact C-N 3.29Å; L160-Q162 PolarHBondContact O-N 2.98Å; Q162-L165 PolarHBondContact O-N 3.13Å; Q162-Q166 WeakPolarHBondContact O-CG 3.37Å; Q162-Q166 PolarHBondContact O-N 3.44Å
163	V	98.2	Very high	95.5	Very high	79 Å²	79	46.9 Å²	46.9	48%	0.479	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-48.8	174.2	171.3	0	0	0	0	110.5	K159 L160 L165 Q166 E167	K159-V163 WeakPolarHBondContact O-CG2 3.47Å; K159-V163 PolarHBondContact O-N 2.95Å; L160-V163 WeakPolarHBondContact O-CB 3.47Å; L160-V163 PolarHBondContact O-N 3.26Å; L160-V163 VanDerWaalsContact O-N 3.12Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.83Å; V163-Q166 PolarHBondContact O-N 3.22Å; V163-Q166 VanDerWaalsContact O-N 3.1Å; V163-E167 HydrophobicContact CG1-CG 4.3Å; V163-E167 WeakPolarHBondContact O-CG 3.23Å; V163-E167 PolarHBondContact O-N 3.37Å; V163-E167 VanDerWaalsContact O-N 3.09Å
164	I	97.9	Very high	95.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-47.6	178.7	-67.3	166	0	0	0	110.4	L160 K161 Q166 E167 L168 Y180 C183 W184	L160-I164 HydrophobicContact CD1-CD1 4.06Å; L160-I164 HydrophobicContact CD1-CG1 4.27Å; L160-I164 HydrophobicContact CG-CD1 3.93Å; L160-I164 WeakPolarHBondContact O-CG1 3.24Å; L160-I164 PolarHBondContact O-N 2.89Å; K161-I164 PolarHBondContact O-N 3.4Å; I164-Q166 VanDerWaalsContact C-N 3.27Å; I164-Q166 PolarHBondContact O-N 2.96Å; I164-E167 PolarHBondContact O-N 2.86Å; I164-E167 VanDerWaalsContact O-N 3.12Å; I164-L168 HydrophobicContact CG2-CB 4.31Å; I164-L168 HydrophobicContact CG2-CD1 4.27Å; I164-L168 HydrophobicContact CG2-CD2 4.47Å; I164-L168 WeakPolarHBondContact O-CB 3.48Å; I164-L168 PolarHBondContact O-N 2.88Å; I164-Y180 HydrophobicContact CG1-CD1 3.85Å; I164-Y180 HydrophobicContact CG1-CG 4.28Å; I164-Y180 HydrophobicContact CG2-CG 4.37Å; I164-C183 HydrophobicContact CD1-CB 3.9Å; I164-W184 HydrophobicContact CB-CE3 4.16Å; I164-W184 HydrophobicContact CB-CZ3 4.37Å; I164-W184 HydrophobicContact CD1-CB 4.44Å; I164-W184 HydrophobicContact CD1-CE3 4.16Å; I164-W184 HydrophobicContact CG2-CE3 3.81Å; I164-W184 HydrophobicContact CG2-CZ3 4.2Å
165	L	97.8	Very high	94.8	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-54.3	-40.4	177.5	165.6	69.4	0	0	0	113.2	L93 Q94 V97 K161 Q162 V163	L93-L165 HydrophobicContact CB-CD1 4.31Å; L93-L165 HydrophobicContact CD2-CD1 4.11Å; L93-L165 HydrophobicContact CG-CD1 3.98Å; Q94-L165 HydrophobicContact CB-CD1 4.16Å; Q94-L165 VanDerWaalsContact OE1-CD2 3.31Å; V97-L165 HydrophobicContact CB-CD2 3.83Å; V97-L165 HydrophobicContact CG1-CD2 3.91Å; V97-L165 HydrophobicContact CG2-CB 4.21Å; V97-L165 HydrophobicContact CG2-CD2 3.84Å; V97-L165 HydrophobicContact CG2-CG 4.49Å; K161-L165 WeakPolarHBondContact O-CB 3.46Å; K161-L165 PolarHBondContact O-N 3.49Å; Q162-L165 PolarHBondContact O-N 3.13Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.83Å
166	Q	95.9	Very high	94.7	Very high	105 Å²	105	56.4 Å²	56.4	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-72.9	-33.8	178.8	-62.6	-53.8	-53.4	0	0	112.5	Q162 V163 I164 H170	Q162-Q166 WeakPolarHBondContact O-CG 3.37Å; Q162-Q166 PolarHBondContact O-N 3.44Å; V163-Q166 PolarHBondContact O-N 3.22Å; V163-Q166 VanDerWaalsContact O-N 3.1Å; I164-Q166 VanDerWaalsContact C-N 3.27Å; I164-Q166 PolarHBondContact O-N 2.96Å; Q166-H170 PolarHBondContact O-CE1 3.03Å; Q166-H170 PolarHBondContact O-ND1 3.43Å
167	E	94.6	Very high	94.5	Very high	86 Å²	86	52.9 Å²	52.9	40%	0.402	28%	0.28	S	S	.	.	H	α-helix	trans	-95	-27.1	-171.4	-61.9	-58.2	127.6	0	0	113.9	V163 I164 A169 H170 T171 Y180	V163-E167 HydrophobicContact CG1-CG 4.3Å; V163-E167 WeakPolarHBondContact O-CG 3.23Å; V163-E167 PolarHBondContact O-N 3.37Å; V163-E167 VanDerWaalsContact O-N 3.09Å; I164-E167 PolarHBondContact O-N 2.86Å; I164-E167 VanDerWaalsContact O-N 3.12Å; E167-A169 PolarHBondContact O-N 3.43Å; E167-H170 PolarHBondContact O-N 3.09Å; E167-H170 VanDerWaalsContact O-N 3.09Å; E167-T171 WeakPolarHBondContact O-CB 3.35Å; E167-T171 PolarHBondContact O-N 3.34Å; E167-T171 PolarHBondContact O-OG1 3.26Å; E167-Y180 HydrophobicContact CB-CE2 3.78Å; E167-Y180 WeakPolarHBondContact CB-OH 3.42Å
168	L	92	Very high	94.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.7	-165.2	-168.6	70	0	0	0	113.5	A44 I47 V48 L93 I164 Y180	A44-L168 HydrophobicContact CB-CD2 3.58Å; I47-L168 HydrophobicContact CB-CD2 4.15Å; I47-L168 HydrophobicContact CD1-CD2 4.24Å; I47-L168 HydrophobicContact CG2-CD2 3.99Å; I47-L168 HydrophobicContact CG2-CG 3.97Å; V48-L168 HydrophobicContact CG2-CD1 3.57Å; V48-L168 HydrophobicContact CG2-CD2 4.48Å; V48-L168 HydrophobicContact CG2-CG 4.06Å; L93-L168 HydrophobicContact CD2-CD2 3.93Å; I164-L168 HydrophobicContact CG2-CB 4.31Å; I164-L168 HydrophobicContact CG2-CD1 4.27Å; I164-L168 HydrophobicContact CG2-CD2 4.47Å; I164-L168 WeakPolarHBondContact O-CB 3.48Å; I164-L168 PolarHBondContact O-N 2.88Å; L168-Y180 HydrophobicContact CD1-CD2 4.03Å; L168-Y180 HydrophobicContact CD1-CG 4.39Å
169	A	89.3	Confident	94.3	Very high	17 Å²	17	61.2 Å²	61.2	14%	0.14	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-19.4	-179.5	0	0	0	0	0	113.4	I47 R51 C90 E167	I47-A169 HydrophobicContact CG2-CB 4.15Å; R51-A169 PolarHBondContact NE-O 3.26Å; C90-A169 VanDerWaalsContact SG-CB 3.59Å; E167-A169 PolarHBondContact O-N 3.43Å
170	H	88.6	Confident	94.3	Very high	139 Å²	139	57.2 Å²	57.2	64%	0.644	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-24.2	-175	-60	108.4	0	0	0	112.6	Q166 E167	Q166-H170 PolarHBondContact O-CE1 3.03Å; Q166-H170 PolarHBondContact O-ND1 3.43Å; E167-H170 PolarHBondContact O-N 3.09Å; E167-H170 VanDerWaalsContact O-N 3.09Å
171	T	90	Very high	94.2	Very high	11 Å²	11	56.5 Å²	56.5	7%	0.067	30%	0.303	C	S	.	.			trans	-62.7	143.9	178.2	-62.6	0	0	0	0	111.7	R51 E167 D173 L176 H177	R51-T171 PolarHBondContact NE-O 2.71Å; E167-T171 WeakPolarHBondContact O-CB 3.35Å; E167-T171 PolarHBondContact O-N 3.34Å; E167-T171 PolarHBondContact O-OG1 3.26Å; T171-D173 HydrophobicContact CG2-CB 4.21Å; T171-D173 WeakPolarHBondContact CG2-O 3.48Å; T171-L176 HydrophobicContact CG2-CB 3.88Å; T171-L176 HydrophobicContact CG2-CD2 3.77Å; T171-L176 HydrophobicContact CG2-CG 4Å; T171-H177 WeakPolarHBondContact CB-NE2 3.45Å; T171-H177 PolarHBondContact O-NE2 3.39Å
172	T	86.1	Confident	94.2	Very high	90 Å²	90	59 Å²	59	55%	0.552	32%	0.32	S	S	*	.			trans	-118.8	-10	173.8	54.4	0	0	0	0	112.7
173	D	90.7	Very high	94.2	Very high	84 Å²	84	56.9 Å²	56.9	45%	0.449	31%	0.314	S	S	.	.			trans	-82.6	118.1	177.2	-173.9	-32.7	0	0	0	110	T171 D175 L176 H177	T171-D173 HydrophobicContact CG2-CB 4.21Å; T171-D173 WeakPolarHBondContact CG2-O 3.48Å; D173-D175 VanDerWaalsContact C-N 3.34Å; D173-D175 PolarHBondContact O-N 2.9Å; D173-D175 WeakPolarHBondContact OD1-CA 3.5Å; D173-D175 WeakPolarHBondContact OD1-CB 3.45Å; D173-D175 PolarHBondContact OD1-N 3.11Å; D173-L176 HydrophobicContact CB-CB 3.89Å; D173-L176 PolarHBondContact O-N 3.02Å; D173-L176 PolarHBondContact OD1-N 3.24Å; D173-H177 PolarHBondContact O-N 2.93Å; D173-H177 VanDerWaalsContact O-N 3.1Å
174	A	89.3	Confident	94.2	Very high	54 Å²	54	53.1 Å²	53.1	45%	0.446	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-33.4	-178.7	0	0	0	0	0	113	L176 H177 M178	A174-L176 VanDerWaalsContact C-N 3.32Å; A174-H177 PolarHBondContact O-N 3.43Å; A174-M178 PolarHBondContact O-N 2.81Å
175	D	92.8	Very high	94.2	Very high	126 Å²	126	56.7 Å²	56.7	67%	0.674	31%	0.309	S	S	*	.	H	α-helix	trans	-68.2	-39.1	177	-68.4	-27	0	0	0	109.7	D173 M178 V179	D173-D175 VanDerWaalsContact C-N 3.34Å; D173-D175 PolarHBondContact O-N 2.9Å; D173-D175 WeakPolarHBondContact OD1-CA 3.5Å; D173-D175 WeakPolarHBondContact OD1-CB 3.45Å; D173-D175 PolarHBondContact OD1-N 3.11Å; D175-M178 WeakPolarHBondContact O-CB 3.43Å; D175-M178 PolarHBondContact O-N 3.32Å; D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.25Å
176	L	94.9	Very high	94.1	Very high	60 Å²	60	62.2 Å²	62.2	31%	0.314	33%	0.334	S	S	.	.	H	α-helix	trans	-67	-36.6	177.1	-170	58.3	0	0	0	112.4	T171 D173 A174 M178 V179 Y180	T171-L176 HydrophobicContact CG2-CB 3.88Å; T171-L176 HydrophobicContact CG2-CD2 3.77Å; T171-L176 HydrophobicContact CG2-CG 4Å; D173-L176 HydrophobicContact CB-CB 3.89Å; D173-L176 PolarHBondContact O-N 3.02Å; D173-L176 PolarHBondContact OD1-N 3.24Å; A174-L176 VanDerWaalsContact C-N 3.32Å; L176-M178 VanDerWaalsContact C-N 3.32Å; L176-M178 PolarHBondContact O-N 2.98Å; L176-V179 HydrophobicContact CD1-CB 4.47Å; L176-V179 PolarHBondContact O-N 3.09Å; L176-Y180 HydrophobicContact CD1-CE1 4.02Å; L176-Y180 HydrophobicContact CD1-CE2 4.12Å; L176-Y180 HydrophobicContact CD2-CE2 3.99Å; L176-Y180 HydrophobicContact CG-CD2 4.19Å; L176-Y180 HydrophobicContact CG-CE1 4.4Å; L176-Y180 HydrophobicContact CG-CE2 3.58Å; L176-Y180 WeakPolarHBondContact O-CD2 3.47Å; L176-Y180 PolarHBondContact O-N 3Å
177	H	94.9	Very high	94.2	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-45.1	169.8	-69.4	153.2	0	0	0	112	V48 N52 T171 D173 A174 V179 Y180 L181	V48-H177 HydrophobicContact CB-CB 4.49Å; V48-H177 HydrophobicContact CG1-CB 3.69Å; V48-H177 HydrophobicContact CG2-CB 3.94Å; N52-H177 PolarHBondContact OD1-ND1 3.11Å; T171-H177 WeakPolarHBondContact CB-NE2 3.45Å; T171-H177 PolarHBondContact O-NE2 3.39Å; D173-H177 PolarHBondContact O-N 2.93Å; D173-H177 VanDerWaalsContact O-N 3.1Å; A174-H177 PolarHBondContact O-N 3.43Å; H177-V179 VanDerWaalsContact C-N 3.33Å; H177-V179 PolarHBondContact O-N 3.28Å; H177-Y180 PolarHBondContact O-N 3.07Å; H177-L181 WeakPolarHBondContact O-CG 3.43Å; H177-L181 PolarHBondContact O-N 3.37Å
178	M	95.7	Very high	94.3	Very high	110 Å²	110	57 Å²	57	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-65	-37.9	178.5	-69.1	-57.9	-61.3	0	0	112.1	A174 D175 L176 S182	A174-M178 PolarHBondContact O-N 2.81Å; D175-M178 WeakPolarHBondContact O-CB 3.43Å; D175-M178 PolarHBondContact O-N 3.32Å; L176-M178 VanDerWaalsContact C-N 3.32Å; L176-M178 PolarHBondContact O-N 2.98Å; M178-S182 VanDerWaalsContact O-CB 3.28Å; M178-S182 WeakPolarHBondContact O-CB 3.42Å; M178-S182 PolarHBondContact O-N 2.98Å; M178-S182 PolarHBondContact O-OG 3.42Å
179	V	97.3	Very high	94.6	Very high	77 Å²	77	61 Å²	61	47%	0.467	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-49	173.2	172.1	0	0	0	0	110.4	D175 L176 H177 L181 S182 C183	D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.25Å; L176-V179 HydrophobicContact CD1-CB 4.47Å; L176-V179 PolarHBondContact O-N 3.09Å; H177-V179 VanDerWaalsContact C-N 3.33Å; H177-V179 PolarHBondContact O-N 3.28Å; V179-L181 PolarHBondContact O-N 3.42Å; V179-S182 PolarHBondContact O-N 3.44Å; V179-C183 WeakPolarHBondContact O-CB 3.17Å; V179-C183 PolarHBondContact O-N 3.3Å; V179-C183 PolarHBondContact O-SG 3.12Å; V179-C183 VanDerWaalsContact O-SG 3.37Å
180	Y	97.8	Very high	94.9	Very high	33 Å²	33	60.8 Å²	60.8	13%	0.129	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-43.4	179.3	-67.8	-33.5	0	0	0	113.3	I164 E167 L168 L176 H177 S182 C183 W184	I164-Y180 HydrophobicContact CG1-CD1 3.85Å; I164-Y180 HydrophobicContact CG1-CG 4.28Å; I164-Y180 HydrophobicContact CG2-CG 4.37Å; E167-Y180 HydrophobicContact CB-CE2 3.78Å; E167-Y180 WeakPolarHBondContact CB-OH 3.42Å; L168-Y180 HydrophobicContact CD1-CD2 4.03Å; L168-Y180 HydrophobicContact CD1-CG 4.39Å; L176-Y180 HydrophobicContact CD1-CE1 4.02Å; L176-Y180 HydrophobicContact CD1-CE2 4.12Å; L176-Y180 HydrophobicContact CD2-CE2 3.99Å; L176-Y180 HydrophobicContact CG-CD2 4.19Å; L176-Y180 HydrophobicContact CG-CE1 4.4Å; L176-Y180 HydrophobicContact CG-CE2 3.58Å; L176-Y180 WeakPolarHBondContact O-CD2 3.47Å; L176-Y180 PolarHBondContact O-N 3Å; H177-Y180 PolarHBondContact O-N 3.07Å; Y180-S182 VanDerWaalsContact C-N 3.34Å; Y180-S182 PolarHBondContact O-N 3.46Å; Y180-C183 PolarHBondContact O-N 3.02Å; Y180-W184 WeakPolarHBondContact O-CB 3.34Å; Y180-W184 PolarHBondContact O-N 3.48Å
181	L	98	Very high	95	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-42.9	175	-69.5	-179.9	0	0	0	111.4	F41 A44 V48 H177 V179 W184 L185	F41-L181 HydrophobicContact CE2-CB 4.14Å; F41-L181 HydrophobicContact CE2-CD2 4.25Å; F41-L181 WeakPolarHBondContact CE2-O 3.31Å; A44-L181 HydrophobicContact CB-CD2 3.84Å; V48-L181 HydrophobicContact CB-CD1 4.17Å; V48-L181 HydrophobicContact CG1-CD1 4.11Å; V48-L181 HydrophobicContact CG2-CD1 4.08Å; V48-L181 HydrophobicContact CG2-CD2 4.16Å; V48-L181 HydrophobicContact CG2-CG 4.1Å; H177-L181 WeakPolarHBondContact O-CG 3.43Å; H177-L181 PolarHBondContact O-N 3.37Å; V179-L181 PolarHBondContact O-N 3.42Å; L181-W184 PolarHBondContact O-N 2.87Å; L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 PolarHBondContact O-N 3.3Å
182	S	97.9	Very high	95.1	Very high	52 Å²	52	60.5 Å²	60.5	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-44.8	177.8	-58.6	0	0	0	0	111.6	M178 V179 Y180 W184 L185 H186	M178-S182 VanDerWaalsContact O-CB 3.28Å; M178-S182 WeakPolarHBondContact O-CB 3.42Å; M178-S182 PolarHBondContact O-N 2.98Å; M178-S182 PolarHBondContact O-OG 3.42Å; V179-S182 PolarHBondContact O-N 3.44Å; Y180-S182 VanDerWaalsContact C-N 3.34Å; Y180-S182 PolarHBondContact O-N 3.46Å; S182-W184 VanDerWaalsContact C-N 3.33Å; S182-W184 PolarHBondContact O-N 2.92Å; S182-L185 PolarHBondContact O-N 3.3Å; S182-H186 WeakPolarHBondContact O-CB 3.28Å; S182-H186 PolarHBondContact O-CD2 2.75Å; S182-H186 VanDerWaalsContact O-CD2 3.26Å; S182-H186 PolarHBondContact O-N 2.9Å
183	C	98.2	Very high	95.2	Very high	33 Å²	33	62.1 Å²	62.1	22%	0.223	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-44.8	174.1	-79.1	0	0	0	0	111.5	L160 I164 V179 Y180 Q187 P188	L160-C183 HydrophobicContact CD2-CB 4.11Å; I164-C183 HydrophobicContact CD1-CB 3.9Å; V179-C183 WeakPolarHBondContact O-CB 3.17Å; V179-C183 PolarHBondContact O-N 3.3Å; V179-C183 PolarHBondContact O-SG 3.12Å; V179-C183 VanDerWaalsContact O-SG 3.37Å; Y180-C183 PolarHBondContact O-N 3.02Å; C183-Q187 PolarHBondContact O-N 3.27Å; C183-Q187 VanDerWaalsContact O-N 3.12Å; C183-P188 WeakPolarHBondContact O-CD 3.35Å
184	W	98.3	Very high	95.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-46.3	178.5	-166.5	-70.2	0	0	0	112	N37 F41 L93 V96 V97 M100 K161 I164 Y180 L181 S182	N37-W184 PolarHBondContact O-NE1 2.86Å; N37-W184 PolarHBondContact OD1-O 3.24Å; N37-W184 VanDerWaalsContact OD1-O 3.12Å; F41-W184 HydrophobicContact CD2-CB 4.26Å; F41-W184 AromaticContact CD2-CD1 3.88Å; F41-W184 HydrophobicContact CD2-CG 4.31Å; F41-W184 VanDerWaalsContact N-NE1 3.15Å; L93-W184 HydrophobicContact CD1-CH2 3.49Å; L93-W184 VanDerWaalsContact CD1-CH2 3.49Å; L93-W184 HydrophobicContact CD1-CZ2 3.79Å; L93-W184 HydrophobicContact CD1-CZ3 4.08Å; L93-W184 HydrophobicContact CG-CH2 4.33Å; V96-W184 HydrophobicContact CG1-CZ2 4.49Å; V97-W184 HydrophobicContact CG2-CH2 3.71Å; V97-W184 HydrophobicContact CG2-CZ3 4.37Å; M100-W184 HydrophobicContact CE-CZ2 4.25Å; K161-W184 HydrophobicContact CB-CE3 4.32Å; K161-W184 HydrophobicContact CB-CH2 4.08Å; K161-W184 HydrophobicContact CB-CZ3 3.81Å; K161-W184 HydrophobicContact CD-CD2 4.49Å; K161-W184 HydrophobicContact CD-CH2 4.23Å; K161-W184 HydrophobicContact CD-CZ2 4.13Å; K161-W184 HydrophobicContact CD-CZ3 4.44Å; K161-W184 HydrophobicContact CG-CD2 4.4Å; K161-W184 HydrophobicContact CG-CE3 4.06Å; K161-W184 HydrophobicContact CG-CH2 4.27Å; K161-W184 HydrophobicContact CG-CZ3 4.01Å; K161-W184 PolarHBondContact NZ-O 3.49Å; I164-W184 HydrophobicContact CB-CE3 4.16Å; I164-W184 HydrophobicContact CB-CZ3 4.37Å; I164-W184 HydrophobicContact CD1-CB 4.44Å; I164-W184 HydrophobicContact CD1-CE3 4.16Å; I164-W184 HydrophobicContact CG2-CE3 3.81Å; I164-W184 HydrophobicContact CG2-CZ3 4.2Å; Y180-W184 WeakPolarHBondContact O-CB 3.34Å; Y180-W184 PolarHBondContact O-N 3.48Å; L181-W184 PolarHBondContact O-N 2.87Å; S182-W184 VanDerWaalsContact C-N 3.33Å; S182-W184 PolarHBondContact O-N 2.92Å
185	L	97.9	Very high	95.2	Very high	75 Å²	75	61.6 Å²	61.6	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-48.5	-177.6	-178.9	62.1	0	0	0	112.4	F41 L181 S182	F41-L185 HydrophobicContact CD1-CD1 4.18Å; F41-L185 HydrophobicContact CD2-CB 4.02Å; F41-L185 HydrophobicContact CD2-CD1 4.47Å; F41-L185 HydrophobicContact CE1-CD1 4.05Å; F41-L185 HydrophobicContact CE2-CB 3.69Å; F41-L185 HydrophobicContact CE2-CD1 4.37Å; F41-L185 HydrophobicContact CE2-CG 4.41Å; F41-L185 HydrophobicContact CG-CD1 4.38Å; F41-L185 HydrophobicContact CZ-CB 4.12Å; F41-L185 HydrophobicContact CZ-CD1 4.15Å; F41-L185 HydrophobicContact CZ-CD2 4.13Å; F41-L185 HydrophobicContact CZ-CG 4.37Å; L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 PolarHBondContact O-N 3.3Å; S182-L185 PolarHBondContact O-N 3.3Å
186	H	96.9	Very high	95.2	Very high	135 Å²	135	60.5 Å²	60.5	63%	0.625	32%	0.323	S	S	*	.	H	α-helix	trans	-88.5	-11.6	-169.8	-67.5	-61.1	0	0	0	114.3	S182	S182-H186 WeakPolarHBondContact O-CB 3.28Å; S182-H186 PolarHBondContact O-CD2 2.75Å; S182-H186 VanDerWaalsContact O-CD2 3.26Å; S182-H186 PolarHBondContact O-N 2.9Å
187	Q	97.6	Very high	95.1	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.042	31%	0.314	C	S	.	.			trans	49.3	62.9	175.9	-56.6	-178.8	88.9	0	0	112.3	E34 N37 E157 C183 F189 I190	E34-Q187 PolarHBondContact OE2-NE2 3.37Å; N37-Q187 PolarHBondContact ND2-NE2 3.34Å; E157-Q187 HydrophobicContact CG-CB 4.33Å; E157-Q187 WeakPolarHBondContact OE1-CA 3.4Å; E157-Q187 WeakPolarHBondContact OE2-CA 3.43Å; C183-Q187 PolarHBondContact O-N 3.27Å; C183-Q187 VanDerWaalsContact O-N 3.12Å; Q187-F189 PolarHBondContact O-N 2.96Å; Q187-I190 HydrophobicContact CB-CB 4.25Å; Q187-I190 HydrophobicContact CB-CD1 4.39Å; Q187-I190 HydrophobicContact CB-CG1 4.43Å; Q187-I190 PolarHBondContact O-N 3.37Å
188	P	97.2	Very high	95	Very high	73 Å²	73	58.5 Å²	58.5	47%	0.474	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.9	-167.1	26	-36.2	0	0	0	114	E157 L160 C183	E157-P188 WeakPolarHBondContact OE2-CD 3.41Å; L160-P188 HydrophobicContact CD2-CG 3.55Å; C183-P188 WeakPolarHBondContact O-CD 3.35Å
189	F	97.4	Very high	95	Very high	84 Å²	84	56.3 Å²	56.3	37%	0.368	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.6	177.4	-62.5	-67.5	0	0	0	114	A153 Q156 E157 L160 Q187 P191	A153-F189 WeakPolarHBondContact CB-O 3.47Å; Q156-F189 HydrophobicContact CB-CB 4.08Å; Q156-F189 HydrophobicContact CB-CD1 4.37Å; Q156-F189 HydrophobicContact CB-CG 4.16Å; Q156-F189 HydrophobicContact CG-CB 3.96Å; Q156-F189 HydrophobicContact CG-CD1 3.4Å; Q156-F189 HydrophobicContact CG-CD2 3.93Å; Q156-F189 HydrophobicContact CG-CE1 3.76Å; Q156-F189 HydrophobicContact CG-CE2 4.24Å; Q156-F189 HydrophobicContact CG-CG 3.49Å; Q156-F189 VanDerWaalsContact CG-CG 3.49Å; Q156-F189 HydrophobicContact CG-CZ 4.17Å; E157-F189 HydrophobicContact CB-CB 4.08Å; E157-F189 WeakPolarHBondContact OE2-CB 3.33Å; E157-F189 PolarHBondContact OE2-N 3.45Å; E157-F189 VanDerWaalsContact OE2-N 3.1Å; L160-F189 HydrophobicContact CB-CD2 4.01Å; L160-F189 HydrophobicContact CB-CE2 3.88Å; L160-F189 HydrophobicContact CD2-CD2 3.78Å; L160-F189 HydrophobicContact CD2-CE2 3.73Å; L160-F189 HydrophobicContact CG-CE2 4.28Å; Q187-F189 PolarHBondContact O-N 2.96Å; F189-P191 WeakPolarHBondContact O-CD 3.47Å
190	I	96	Very high	94.7	Very high	13 Å²	13	54.2 Å²	54.2	7%	0.067	29%	0.294	C	S	.	.	S	Bend	trans	-113	74	173.3	-51.5	179.8	0	0	0	108.8	W33 F154 E157 Q187 T194	W33-I190 HydrophobicContact CZ2-CD1 4.26Å; F154-I190 HydrophobicContact CD1-CD1 3.6Å; F154-I190 HydrophobicContact CE1-CD1 3.52Å; F154-I190 HydrophobicContact CG-CD1 4.33Å; F154-I190 HydrophobicContact CZ-CD1 4.16Å; F154-I190 HydrophobicContact CZ-CG2 4.42Å; E157-I190 HydrophobicContact CB-CD1 3.86Å; E157-I190 HydrophobicContact CB-CG1 3.77Å; E157-I190 HydrophobicContact CG-CD1 3.73Å; E157-I190 HydrophobicContact CG-CG1 3.94Å; Q187-I190 HydrophobicContact CB-CB 4.25Å; Q187-I190 HydrophobicContact CB-CD1 4.39Å; Q187-I190 HydrophobicContact CB-CG1 4.43Å; Q187-I190 PolarHBondContact O-N 3.37Å; I190-T194 HydrophobicContact CG2-CG2 4.15Å
191	P	90.9	Very high	94.5	Very high	68 Å²	68	52.8 Å²	52.8	44%	0.442	29%	0.289	S	S	.	.			trans	-65.4	163	179.2	28.6	-36.5	0	0	0	111.7	F189 Q193 T194	F189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-Q193 PolarHBondContact O-N 3.04Å; P191-T194 WeakPolarHBondContact CD-OG1 3.41Å; P191-T194 VanDerWaalsContact O-CB 3.3Å; P191-T194 WeakPolarHBondContact O-CB 3.46Å; P191-T194 PolarHBondContact O-N 3.22Å; P191-T194 PolarHBondContact O-OG1 2.83Å
192	A	90.3	Very high	94.3	Very high	76 Å²	76	52.1 Å²	52.1	63%	0.628	29%	0.285	S	S	*	.	H	α-helix	trans	-53.4	-30.6	175.7	0	0	0	0	0	113	T194 R195 L196	A192-T194 VanDerWaalsContact C-N 3.26Å; A192-T194 PolarHBondContact O-N 2.88Å; A192-R195 WeakPolarHBondContact O-CB 3.45Å; A192-R195 PolarHBondContact O-N 3.44Å; A192-R195 VanDerWaalsContact O-N 3.12Å; A192-L196 PolarHBondContact O-N 3.29Å
193	Q	89.4	Confident	94.1	Very high	125 Å²	125	52.1 Å²	52.1	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-60.1	-33.3	175.6	-168.1	60	42.3	0	0	113.1	P191 R195 L196 A197	P191-Q193 PolarHBondContact O-N 3.04Å; Q193-R195 VanDerWaalsContact C-N 3.34Å; Q193-L196 PolarHBondContact O-N 3.03Å; Q193-A197 PolarHBondContact O-N 3.06Å
194	T	90.7	Very high	93.8	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-39.8	175.7	-54.5	0	0	0	0	110.7	L150 A153 F154 I190 P191 A192 A197 L198	L150-T194 HydrophobicContact CD2-CG2 3.52Å; L150-T194 WeakPolarHBondContact CD2-O 3.49Å; A153-T194 HydrophobicContact CB-CG2 3.82Å; F154-T194 HydrophobicContact CE2-CG2 4.27Å; I190-T194 HydrophobicContact CG2-CG2 4.15Å; P191-T194 WeakPolarHBondContact CD-OG1 3.41Å; P191-T194 VanDerWaalsContact O-CB 3.3Å; P191-T194 WeakPolarHBondContact O-CB 3.46Å; P191-T194 PolarHBondContact O-N 3.22Å; P191-T194 PolarHBondContact O-OG1 2.83Å; A192-T194 VanDerWaalsContact C-N 3.26Å; A192-T194 PolarHBondContact O-N 2.88Å; T194-A197 PolarHBondContact O-N 3.37Å; T194-L198 PolarHBondContact O-N 3.03Å; T194-L198 VanDerWaalsContact O-N 3.17Å
195	R	89.1	Confident	93.5	Very high	120 Å²	120	51.7 Å²	51.7	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-39.1	174.3	-66.2	-177.2	175.1	155.2	-1.4	111.7	E34 A192 Q193 A197 L198 E199	E34-R195 IonicContact OE1-CZ 3.74Å; E34-R195 IonicContact OE1-NE 3.83Å; E34-R195 IonicContact OE1-NH2 2.86Å; E34-R195 PolarHBondContact OE1-NH2 3.24Å; E34-R195 IonicContact OE2-NH2 3.76Å; A192-R195 WeakPolarHBondContact O-CB 3.45Å; A192-R195 PolarHBondContact O-N 3.44Å; A192-R195 VanDerWaalsContact O-N 3.12Å; Q193-R195 VanDerWaalsContact C-N 3.34Å; R195-A197 VanDerWaalsContact C-N 3.33Å; R195-A197 PolarHBondContact O-N 3.01Å; R195-L198 PolarHBondContact O-N 2.74Å; R195-E199 PolarHBondContact O-N 2.99Å
196	L	92.1	Very high	93	Very high	102 Å²	102	50.2 Å²	50.2	53%	0.534	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-39.1	173.9	-67.4	176.3	0	0	0	112.2	A192 Q193 L198 E199 A200	A192-L196 PolarHBondContact O-N 3.29Å; Q193-L196 PolarHBondContact O-N 3.03Å; L196-L198 VanDerWaalsContact C-N 3.31Å; L196-L198 PolarHBondContact O-N 3.22Å; L196-E199 PolarHBondContact O-N 3.17Å; L196-A200 WeakPolarHBondContact O-CB 3.4Å; L196-A200 PolarHBondContact O-N 3.01Å
197	A	93.1	Very high	92.6	Very high	16 Å²	16	47.6 Å²	47.6	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-40	175.4	0	0	0	0	0	111.8	L150 Q193 T194 R195 L201	L150-A197 HydrophobicContact CD2-CB 4.14Å; Q193-A197 PolarHBondContact O-N 3.06Å; T194-A197 PolarHBondContact O-N 3.37Å; R195-A197 VanDerWaalsContact C-N 3.33Å; R195-A197 PolarHBondContact O-N 3.01Å; A197-L201 WeakPolarHBondContact O-CB 3.44Å; A197-L201 PolarHBondContact O-N 3.38Å
198	L	94.1	Very high	92.2	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-43.2	173.9	-179.4	65.1	0	0	0	112.3	W26 M30 L150 T194 R195 L196 A200 L201 L202	W26-L198 HydrophobicContact CB-CD1 3.87Å; M30-L198 HydrophobicContact CB-CD2 4.16Å; M30-L198 HydrophobicContact CE-CD2 3.29Å; M30-L198 HydrophobicContact CG-CD2 4.39Å; M30-L198 HydrophobicContact SD-CD2 3.33Å; M30-L198 WeakPolarHBondContact SD-CD2 3.29Å; L150-L198 HydrophobicContact CD1-CB 4.44Å; L150-L198 HydrophobicContact CD1-CD1 4.23Å; L150-L198 HydrophobicContact CD2-CB 4.24Å; T194-L198 PolarHBondContact O-N 3.03Å; T194-L198 VanDerWaalsContact O-N 3.17Å; R195-L198 PolarHBondContact O-N 2.74Å; L196-L198 VanDerWaalsContact C-N 3.31Å; L196-L198 PolarHBondContact O-N 3.22Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3.43Å; L198-L201 HydrophobicContact CD1-CD2 4.04Å; L198-L201 WeakPolarHBondContact O-CB 3.3Å; L198-L201 PolarHBondContact O-N 2.93Å; L198-L202 HydrophobicContact CD1-CD1 4.39Å; L198-L202 HydrophobicContact CD1-CG 4.26Å; L198-L202 HydrophobicContact CG-CD1 4.07Å; L198-L202 HydrophobicContact CG-CG 4.36Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.39Å; L198-L202 PolarHBondContact O-N 3.42Å
199	E	93.9	Very high	91.5	Very high	65 Å²	65	53.3 Å²	53.3	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-38	177.7	-71.6	-61.6	147.4	0	0	111.5	R195 L196 L202 L203 R208	R195-E199 PolarHBondContact O-N 2.99Å; L196-E199 PolarHBondContact O-N 3.17Å; E199-L202 PolarHBondContact O-N 3.01Å; E199-L203 WeakPolarHBondContact O-CB 3.48Å; E199-L203 VanDerWaalsContact O-CG 3.29Å; E199-L203 WeakPolarHBondContact O-CG 3.44Å; E199-L203 PolarHBondContact O-N 3.39Å; E199-R208 IonicContact OE1-CZ 2.6Å; E199-R208 IonicContact OE1-NE 3.26Å; E199-R208 IonicContact OE1-NH2 3.84Å; E199-R208 PolarHBondContact OE1-NH2 3.36Å; E199-R208 VanDerWaalsContact OE1-NH2 3.1Å; E199-R208 IonicContact OE2-CZ 2.65Å; E199-R208 IonicContact OE2-NE 3.64Å; E199-R208 PolarHBondContact OE2-NE 2.7Å; E199-R208 IonicContact OE2-NH2 3.01Å
200	A	92.7	Very high	89.7	Confident	33 Å²	33	57.8 Å²	57.8	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-45.8	171.1	0	0	0	0	0	111.9	W138 L196 L198 L202 L203 E204	W138-A200 HydrophobicContact CH2-CB 4.07Å; W138-A200 HydrophobicContact CZ2-CB 4Å; L196-A200 WeakPolarHBondContact O-CB 3.4Å; L196-A200 PolarHBondContact O-N 3.01Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3.43Å; A200-L202 VanDerWaalsContact C-N 3.3Å; A200-L202 PolarHBondContact O-N 3.2Å; A200-L203 PolarHBondContact O-N 3.08Å; A200-E204 WeakPolarHBondContact O-CB 3.43Å; A200-E204 WeakPolarHBondContact O-CG 3.35Å; A200-E204 PolarHBondContact O-N 3.4Å
201	L	93.4	Very high	89.4	Confident	3 Å²	3	60 Å²	60	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-56.8	-43.3	175.3	-173.8	75.5	0	0	0	111.9	A23 W26 W138 F143 L150 A197 L198 T205	A23-L201 HydrophobicContact CB-CD2 3.95Å; A23-L201 HydrophobicContact CB-CG 3.9Å; W26-L201 HydrophobicContact CB-CD2 4.18Å; W26-L201 HydrophobicContact CG-CD2 4.18Å; W138-L201 HydrophobicContact CZ3-CD1 3.99Å; F143-L201 HydrophobicContact CD1-CD1 3.49Å; F143-L201 VanDerWaalsContact CD1-CD1 3.49Å; F143-L201 HydrophobicContact CE1-CD1 4Å; L150-L201 HydrophobicContact CD1-CD2 4.4Å; A197-L201 WeakPolarHBondContact O-CB 3.44Å; A197-L201 PolarHBondContact O-N 3.38Å; L198-L201 HydrophobicContact CD1-CD2 4.04Å; L198-L201 WeakPolarHBondContact O-CB 3.3Å; L198-L201 PolarHBondContact O-N 2.93Å; L201-T205 WeakPolarHBondContact O-CB 3.42Å; L201-T205 WeakPolarHBondContact O-CG2 3.2Å; L201-T205 PolarHBondContact O-N 3.33Å; L201-T205 VanDerWaalsContact O-N 3.14Å; L201-T205 PolarHBondContact O-OG1 2.99Å
202	L	94.1	Very high	89.3	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-72.6	-36.5	-179.4	-67.9	174	0	0	0	112.8	A23 H27 L198 E199 A200 T205 G206 H207 R208	A23-L202 HydrophobicContact CB-CD2 4.43Å; H27-L202 HydrophobicContact CB-CD1 4.15Å; H27-L202 HydrophobicContact CB-CD2 4.08Å; L198-L202 HydrophobicContact CD1-CD1 4.39Å; L198-L202 HydrophobicContact CD1-CG 4.26Å; L198-L202 HydrophobicContact CG-CD1 4.07Å; L198-L202 HydrophobicContact CG-CG 4.36Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.39Å; L198-L202 PolarHBondContact O-N 3.42Å; E199-L202 PolarHBondContact O-N 3.01Å; A200-L202 VanDerWaalsContact C-N 3.3Å; A200-L202 PolarHBondContact O-N 3.2Å; L202-T205 WeakPolarHBondContact CA-OG1 3.5Å; L202-T205 PolarHBondContact O-OG1 2.83Å; L202-G206 PolarHBondContact O-N 3.14Å; L202-H207 HydrophobicContact CB-CB 4.13Å; L202-H207 HydrophobicContact CD2-CB 3.8Å; L202-H207 PolarHBondContact O-N 2.99Å; L202-R208 HydrophobicContact CB-CG 3.73Å; L202-R208 PolarHBondContact O-N 3.08Å
203	L	93.1	Very high	89.3	Confident	52 Å²	52	58.7 Å²	58.7	27%	0.272	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-50.5	171.9	-76.3	163.6	0	0	0	110.8	E199 A200 T205 G206 R208 S209 L210	E199-L203 WeakPolarHBondContact O-CB 3.48Å; E199-L203 VanDerWaalsContact O-CG 3.29Å; E199-L203 WeakPolarHBondContact O-CG 3.44Å; E199-L203 PolarHBondContact O-N 3.39Å; A200-L203 PolarHBondContact O-N 3.08Å; L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 3.25Å; L203-G206 PolarHBondContact O-N 3.01Å; L203-R208 HydrophobicContact CD2-CB 3.47Å; L203-R208 VanDerWaalsContact CD2-CB 3.47Å; L203-R208 HydrophobicContact CG-CB 3.79Å; L203-R208 HydrophobicContact CG-CG 4.5Å; L203-S209 VanDerWaalsContact CD2-O 3.28Å; L203-S209 WeakPolarHBondContact CD2-O 3.41Å; L203-L210 HydrophobicContact CB-CD2 4.5Å; L203-L210 HydrophobicContact CD2-CD2 4.16Å
204	E	91.5	Very high	89.2	Confident	24 Å²	24	54.8 Å²	54.8	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-39.4	-177.8	-77.7	-68.1	149.2	0	0	112.7	C135 H136 S137 W138 F143 A200 G206	C135-E204 WeakPolarHBondContact CB-O 3.45Å; H136-E204 WeakPolarHBondContact CB-OE2 3.48Å; H136-E204 PolarHBondContact N-O 3.11Å; H136-E204 PolarHBondContact ND1-O 3.42Å; S137-E204 PolarHBondContact N-OE2 3.42Å; S137-E204 VanDerWaalsContact OG-CD 3.24Å; S137-E204 PolarHBondContact OG-OE1 3.09Å; S137-E204 PolarHBondContact OG-OE2 3.19Å; W138-E204 HydrophobicContact CB-CG 4.5Å; W138-E204 HydrophobicContact CD2-CB 4.23Å; W138-E204 HydrophobicContact CD2-CG 3.63Å; W138-E204 HydrophobicContact CE3-CB 4.45Å; W138-E204 HydrophobicContact CE3-CG 4.25Å; W138-E204 HydrophobicContact CG-CB 4.38Å; W138-E204 HydrophobicContact CG-CG 3.73Å; W138-E204 HydrophobicContact CZ2-CG 4.12Å; W138-E204 PolarHBondContact N-OE2 2.99Å; W138-E204 VanDerWaalsContact N-OE2 3.17Å; F143-E204 HydrophobicContact CE1-CB 4.11Å; F143-E204 HydrophobicContact CZ-CB 4.12Å; A200-E204 WeakPolarHBondContact O-CB 3.43Å; A200-E204 WeakPolarHBondContact O-CG 3.35Å; A200-E204 PolarHBondContact O-N 3.4Å; E204-G206 VanDerWaalsContact C-N 3.29Å; E204-G206 PolarHBondContact O-N 3.48Å
205	T	91.1	Very high	89.2	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-79.4	-8.7	177.9	51	0	0	0	0	114.3	I19 K20 A23 F143 L201 L202 L203 H207	I19-T205 HydrophobicContact CG2-CG2 3.9Å; K20-T205 VanDerWaalsContact CE-O 3.23Å; K20-T205 WeakPolarHBondContact CE-O 3.42Å; K20-T205 HydrophobicContact CG-CG2 4.26Å; K20-T205 PolarHBondContact NZ-O 2.97Å; A23-T205 HydrophobicContact CB-CG2 3.66Å; F143-T205 HydrophobicContact CE1-CG2 3.7Å; F143-T205 HydrophobicContact CZ-CG2 4.23Å; L201-T205 WeakPolarHBondContact O-CB 3.42Å; L201-T205 WeakPolarHBondContact O-CG2 3.2Å; L201-T205 PolarHBondContact O-N 3.33Å; L201-T205 VanDerWaalsContact O-N 3.14Å; L201-T205 PolarHBondContact O-OG1 2.99Å; L202-T205 WeakPolarHBondContact CA-OG1 3.5Å; L202-T205 PolarHBondContact O-OG1 2.83Å; L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 3.25Å; T205-H207 WeakPolarHBondContact CB-ND1 3.48Å; T205-H207 PolarHBondContact OG1-ND1 2.89Å
206	G	88.4	Confident	89.2	Confident	44 Å²	44	53.6 Å²	53.6	45%	0.454	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	19.8	178.8	0	0	0	0	0	114.6	L202 L203 E204 R208	L202-G206 PolarHBondContact O-N 3.14Å; L203-G206 PolarHBondContact O-N 3.01Å; E204-G206 VanDerWaalsContact C-N 3.29Å; E204-G206 PolarHBondContact O-N 3.48Å; G206-R208 VanDerWaalsContact C-N 3.34Å
207	H	89.3	Confident	89	Confident	80 Å²	80	50.1 Å²	50.1	37%	0.37	29%	0.287	S	S	.	.	S	Bend	trans	-81.7	-16.4	171.4	-65.1	94.4	0	0	0	112.7	K20 L202 T205	K20-H207 PolarHBondContact O-CE1 2.92Å; L202-H207 HydrophobicContact CB-CB 4.13Å; L202-H207 HydrophobicContact CD2-CB 3.8Å; L202-H207 PolarHBondContact O-N 2.99Å; T205-H207 WeakPolarHBondContact CB-ND1 3.48Å; T205-H207 PolarHBondContact OG1-ND1 2.89Å
208	R	88.5	Confident	88.6	Confident	89 Å²	89	52.8 Å²	52.8	34%	0.336	30%	0.299	S	S	.	.	S	Bend	trans	-120.1	145.4	170.3	-65	-73.2	-171.2	-104.2	-2.8	108.7	E199 L202 L203 G206	E199-R208 IonicContact OE1-CZ 2.6Å; E199-R208 IonicContact OE1-NE 3.26Å; E199-R208 IonicContact OE1-NH2 3.84Å; E199-R208 PolarHBondContact OE1-NH2 3.36Å; E199-R208 VanDerWaalsContact OE1-NH2 3.1Å; E199-R208 IonicContact OE2-CZ 2.65Å; E199-R208 IonicContact OE2-NE 3.64Å; E199-R208 PolarHBondContact OE2-NE 2.7Å; E199-R208 IonicContact OE2-NH2 3.01Å; L202-R208 HydrophobicContact CB-CG 3.73Å; L202-R208 PolarHBondContact O-N 3.08Å; L203-R208 HydrophobicContact CD2-CB 3.47Å; L203-R208 VanDerWaalsContact CD2-CB 3.47Å; L203-R208 HydrophobicContact CG-CB 3.79Å; L203-R208 HydrophobicContact CG-CG 4.5Å; G206-R208 VanDerWaalsContact C-N 3.34Å
209	S	81.3	Confident	88.2	Confident	113 Å²	113	56.9 Å²	56.9	79%	0.79	32%	0.322	S	S	*	.			trans	-73.5	136.9	170.7	51.3	0	0	0	0	110.1	L203	L203-S209 VanDerWaalsContact CD2-O 3.28Å; L203-S209 WeakPolarHBondContact CD2-O 3.41Å
210	L	60.8	Low	87.6	Confident	177 Å²	177	56.2 Å²	56.2	93%	0.927	32%	0.324	S	S	*	.			trans	-70.5	0	167.9	-71.2	164.9	0	0	0	111.6	L203	L203-L210 HydrophobicContact CB-CD2 4.5Å; L203-L210 HydrophobicContact CD2-CD2 4.16Å

Retrieved 210 of 210 residues in 46.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).