A0A077Z8P8_TRITR Loading...

Mitochondrial inner membrane protease ATP23

AlphaFold DB , UniProt , Accession A0A077Z8P8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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	M	27.1	Very low	45.3	Very low	240 Å²	240	97.4 Å²	97.4	100%	1.182	52%	0.521	S	S	*	.				0	97.4	0	-81	-176	-169.8	0	0	109.2
2	V	26.2	Very low	45.7	Very low	121 Å²	121	94.1 Å²	94.1	73%	0.733	50%	0.5	S	S	*	.			trans	-151.1	76.3	147.9	-173.1	0	0	0	0	105.5	A4	V2-A4 PolarHBondContact O-N 3.47Å
3	R	39	Very low	46.2	Very low	154 Å²	154	99.5 Å²	99.5	58%	0.581	52%	0.52	S	S	*	.			trans	-60.8	136.4	162.1	-69.9	-177.3	178.6	-172.8	-0.3	104.8	S5 E117	R3-S5 PolarHBondContact O-N 3.37Å; R3-E117 IonicContact CZ-OE1 2.7Å; R3-E117 IonicContact NH1-OE1 3.82Å; R3-E117 PolarHBondContact NH1-OE1 3.42Å; R3-E117 IonicContact NH2-OE1 2.69Å; R3-E117 PolarHBondContact NH2-OE1 2.61Å
4	A	42.4	Very low	46	Very low	36 Å²	36	103.5 Å²	103.5	30%	0.298	54%	0.543	S	S	.	.			trans	-55.8	102.1	153.9	0	0	0	0	0	103.8	V2 S6	V2-A4 PolarHBondContact O-N 3.47Å; A4-S6 PolarHBondContact O-N 3.32Å
5	S	45	Very low	46.1	Very low	60 Å²	60	100.8 Å²	100.8	42%	0.42	54%	0.536	S	S	.	.			trans	-52.1	139.8	-178.5	178.9	0	0	0	0	105.3	R3 R7 A8	R3-S5 PolarHBondContact O-N 3.37Å; S5-R7 CarbonylContact O-C 3.58Å; S5-R7 PolarHBondContact O-N 2.95Å; S5-A8 WeakPolarHBondContact O-CB 3.13Å; S5-A8 PolarHBondContact O-N 3.23Å
6	S	51.9	Low	46.1	Very low	80 Å²	80	99.1 Å²	99.1	56%	0.559	55%	0.549	S	S	*	.	H	α-helix	trans	-44.1	-30.6	171.9	52.5	0	0	0	0	111.3	A4 A8 L9 F10	A4-S6 PolarHBondContact O-N 3.32Å; S6-A8 VanDerWaalsContact C-N 3.35Å; S6-A8 PolarHBondContact O-N 3.13Å; S6-L9 CarbonylContact O-C 3.41Å; S6-L9 PolarHBondContact O-N 3.07Å; S6-F10 WeakPolarHBondContact O-CD2 3.46Å; S6-F10 PolarHBondContact O-N 2.83Å
7	R	46.7	Very low	46.2	Very low	189 Å²	189	100.2 Å²	100.2	71%	0.713	57%	0.566	S	S	*	*	H	α-helix	trans	-51.9	-38.4	168.5	-78.3	-179.5	169.6	-178.3	-3.2	116.6	S5 L9 F10	S5-R7 CarbonylContact O-C 3.58Å; S5-R7 PolarHBondContact O-N 2.95Å; R7-L9 VanDerWaalsContact C-N 3.34Å; R7-F10 CarbonylContact O-C 3.36Å
8	A	55.6	Low	46.7	Very low	63 Å²	63	99.7 Å²	99.7	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-72.1	-30.5	177	0	0	0	0	0	111.9	S5 S6	S5-A8 WeakPolarHBondContact O-CB 3.13Å; S5-A8 PolarHBondContact O-N 3.23Å; S6-A8 VanDerWaalsContact C-N 3.35Å; S6-A8 PolarHBondContact O-N 3.13Å
9	L	58	Low	47.4	Very low	28 Å²	28	98.7 Å²	98.7	15%	0.147	56%	0.557	C	S	.	*	H	α-helix	trans	-81.7	-29	175.8	-63.8	172.1	0	0	0	112	S6 R7 P11 C67 A68 V71 L169	S6-L9 CarbonylContact O-C 3.41Å; S6-L9 PolarHBondContact O-N 3.07Å; R7-L9 VanDerWaalsContact C-N 3.34Å; L9-P11 WeakPolarHBondContact O-CD 3.27Å; L9-C67 CarbonylContact O-C 3.54Å; L9-C67 WeakPolarHBondContact O-CA 3.4Å; L9-C67 WeakPolarHBondContact O-CB 3.2Å; L9-A68 PolarHBondContact O-N 3.36Å; L9-V71 HydrophobicContact CD2-CG1 4.44Å; L9-V71 HydrophobicContact CD2-CG2 3.84Å; L9-L169 HydrophobicContact CD2-CD1 4.12Å; L9-L169 HydrophobicContact CD2-CD2 4.42Å; L9-L169 HydrophobicContact CD2-CG 4.24Å
10	F	53.7	Low	48	Very low	33 Å²	33	97.9 Å²	97.9	15%	0.145	56%	0.563	C	S	.	*			trans	-124.8	79.3	-176.1	-51.5	-70.1	0	0	0	111.3	S6 R7 E12 E65 C67 I83	S6-F10 WeakPolarHBondContact O-CD2 3.46Å; S6-F10 PolarHBondContact O-N 2.83Å; R7-F10 CarbonylContact O-C 3.36Å; F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 3.33Å; F10-E65 HydrophobicContact CD1-CB 4.39Å; F10-E65 WeakPolarHBondContact CD1-OE2 3.5Å; F10-C67 VanDerWaalsContact CE1-SG 3.55Å; F10-I83 HydrophobicContact CE1-CB 4.5Å; F10-I83 HydrophobicContact CE1-CD1 4.29Å; F10-I83 HydrophobicContact CE1-CG2 3.68Å; F10-I83 HydrophobicContact CE2-CD1 4.39Å; F10-I83 HydrophobicContact CZ-CD1 3.87Å; F10-I83 HydrophobicContact CZ-CG2 4.25Å
11	P	52.2	Low	49.2	Very low	67 Å²	67	97.2 Å²	97.2	44%	0.435	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-76.8	-4.2	-170.1	29	-35.2	0	0	0	115.3	L9 H13	L9-P11 WeakPolarHBondContact O-CD 3.27Å; P11-H13 PolarHBondContact O-N 3.22Å
12	E	51	Low	51.8	Low	58 Å²	58	85.9 Å²	85.9	27%	0.271	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-71.2	3	-170.9	-87.5	-157.7	168.4	0	0	117	F10 N14 T22 R26 K66	F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 3.33Å; E12-N14 PolarHBondContact O-N 2.85Å; E12-T22 WeakPolarHBondContact OE1-CB 3.41Å; E12-T22 WeakPolarHBondContact OE1-CG2 3.42Å; E12-T22 PolarHBondContact OE1-OG1 2.91Å; E12-T22 WeakPolarHBondContact OE2-CG2 3.31Å; E12-R26 IonicContact OE2-CZ 3.24Å; E12-R26 VanDerWaalsContact OE2-CZ 3.24Å; E12-R26 IonicContact OE2-NH1 3.24Å; E12-R26 PolarHBondContact OE2-NH1 2.96Å; E12-R26 IonicContact OE2-NH2 2.65Å; E12-R26 PolarHBondContact OE2-NH2 3.36Å; E12-K66 VanDerWaalsContact CD-CB 3.45Å; E12-K66 HydrophobicContact CG-CB 3.76Å; E12-K66 HydrophobicContact CG-CD 3.85Å; E12-K66 HydrophobicContact CG-CG 4.26Å; E12-K66 VanDerWaalsContact OE1-CB 3.29Å; E12-K66 WeakPolarHBondContact OE1-CB 3.3Å; E12-K66 WeakPolarHBondContact OE1-CD 3.36Å
13	H	52.2	Low	54.7	Low	164 Å²	164	83.8 Å²	83.8	76%	0.759	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-67.2	-0	172	-78.3	-67.9	0	0	0	114.9	P11	P11-H13 PolarHBondContact O-N 3.22Å
14	N	42.7	Very low	57.2	Low	156 Å²	156	83.5 Å²	83.5	83%	0.834	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-147.3	19.8	-167.3	-129.9	17.7	0	0	0	120.3	E12	E12-N14 PolarHBondContact O-N 2.85Å
15	S	48.4	Very low	59.6	Low	63 Å²	63	83.4 Å²	83.4	44%	0.441	49%	0.492	S	S	.	.			trans	-145.9	125.6	177.8	62.5	0	0	0	0	115.8
16	G	46.4	Very low	61.9	Low	73 Å²	73	84.8 Å²	84.8	75%	0.753	49%	0.488	S	S	*	.	S	Bend	trans	-99.8	-0.5	-167.4	0	0	0	0	0	117.6
17	S	46.4	Very low	63.9	Low	119 Å²	119	83 Å²	83	83%	0.832	48%	0.482	S	S	*	.	S	Bend	trans	-104.4	-0.7	179.3	54.6	0	0	0	0	114.6
18	Q	55.2	Low	66.3	Low	91 Å²	91	76.5 Å²	76.5	43%	0.425	46%	0.461	S	S	.	.	S	Bend	trans	-105.8	3.4	-178.7	-68.3	179.5	-0.3	0	0	113.7	A20 D21 T22	Q18-A20 VanDerWaalsContact C-N 3.31Å; Q18-A20 PolarHBondContact O-N 2.89Å; Q18-D21 PolarHBondContact O-N 2.9Å; Q18-T22 PolarHBondContact O-N 3.02Å; Q18-T22 PolarHBondContact O-OG1 3.18Å
19	C	59.9	Low	68.2	Low	80 Å²	80	73.5 Å²	73.5	54%	0.541	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-34.9	-169.6	-58.7	0	0	0	0	113.8	S23	C19-S23 VanDerWaalsContact O-CB 3.29Å; C19-S23 WeakPolarHBondContact O-CB 3.3Å; C19-S23 PolarHBondContact O-N 3.48Å
20	A	60.9	Low	70.1	Confident	82 Å²	82	77.1 Å²	77.1	68%	0.678	45%	0.451	S	S	*	.	H	α-helix	trans	-69.6	-49.4	-177.2	0	0	0	0	0	113.1	Q18 S23 Q24	Q18-A20 VanDerWaalsContact C-N 3.31Å; Q18-A20 PolarHBondContact O-N 2.89Å; A20-S23 WeakPolarHBondContact O-CB 3.5Å; A20-S23 PolarHBondContact O-N 2.98Å; A20-Q24 PolarHBondContact O-N 3.27Å
21	D	73	Confident	72.1	Confident	85 Å²	85	81.9 Å²	81.9	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-62	-45.1	176.3	177.6	37.3	0	0	0	110.7	Q18 S23 Q24 Q25	Q18-D21 PolarHBondContact O-N 2.9Å; D21-S23 VanDerWaalsContact C-N 3.31Å; D21-S23 PolarHBondContact O-N 3.44Å; D21-Q24 PolarHBondContact O-N 3.35Å; D21-Q25 WeakPolarHBondContact O-CB 3.29Å; D21-Q25 VanDerWaalsContact O-CG 3.29Å; D21-Q25 WeakPolarHBondContact O-CG 3.32Å; D21-Q25 PolarHBondContact O-N 3.45Å; D21-Q25 PolarHBondContact OD1-NE2 3Å; D21-Q25 PolarHBondContact OD2-NE2 3.23Å
22	T	81.3	Confident	74.3	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.006	45%	0.453	C	S	.	.	H	α-helix	trans	-56.6	-44.9	173	-65.1	0	0	0	0	111.6	E12 Q18 Q24 Q25 R26 K66	E12-T22 WeakPolarHBondContact OE1-CB 3.41Å; E12-T22 WeakPolarHBondContact OE1-CG2 3.42Å; E12-T22 PolarHBondContact OE1-OG1 2.91Å; E12-T22 WeakPolarHBondContact OE2-CG2 3.31Å; Q18-T22 PolarHBondContact O-N 3.02Å; Q18-T22 PolarHBondContact O-OG1 3.18Å; T22-Q24 VanDerWaalsContact C-N 3.33Å; T22-Q24 PolarHBondContact O-N 3.49Å; T22-Q25 PolarHBondContact O-N 3.24Å; T22-R26 HydrophobicContact CG2-CG 4.31Å; T22-R26 VanDerWaalsContact CG2-NH1 3.32Å; T22-R26 WeakPolarHBondContact O-CB 3.48Å; T22-R26 VanDerWaalsContact O-CG 3.32Å; T22-R26 WeakPolarHBondContact O-CG 3.49Å; T22-R26 PolarHBondContact O-N 3.42Å; T22-K66 HydrophobicContact CG2-CB 4.41Å
23	S	86.9	Confident	76.5	Confident	78 Å²	78	76.8 Å²	76.8	55%	0.545	44%	0.44	S	S	.	.	H	α-helix	trans	-62.6	-41	-179.9	-171.9	0	0	0	0	111.8	C19 A20 D21 G27	C19-S23 VanDerWaalsContact O-CB 3.29Å; C19-S23 WeakPolarHBondContact O-CB 3.3Å; C19-S23 PolarHBondContact O-N 3.48Å; A20-S23 WeakPolarHBondContact O-CB 3.5Å; A20-S23 PolarHBondContact O-N 2.98Å; D21-S23 VanDerWaalsContact C-N 3.31Å; D21-S23 PolarHBondContact O-N 3.44Å; S23-G27 PolarHBondContact O-N 3.44Å
24	Q	90.7	Very high	78.6	Confident	147 Å²	147	73.7 Å²	73.7	69%	0.687	43%	0.426	S	S	*	.	H	α-helix	trans	-65.9	-45.4	176.6	-175.1	174.1	6.8	0	0	111.4	A20 D21 T22 R26 G27 N28	A20-Q24 PolarHBondContact O-N 3.27Å; D21-Q24 PolarHBondContact O-N 3.35Å; T22-Q24 VanDerWaalsContact C-N 3.33Å; T22-Q24 PolarHBondContact O-N 3.49Å; Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 2.94Å; Q24-G27 PolarHBondContact O-N 3.12Å; Q24-N28 WeakPolarHBondContact O-CB 3.49Å; Q24-N28 PolarHBondContact O-N 3.29Å
25	Q	92.7	Very high	81.1	Confident	34 Å²	34	69.5 Å²	69.5	16%	0.159	40%	0.403	C	S	.	.	H	α-helix	trans	-60.6	-43	177.5	-71.1	171.7	4.8	0	0	111.7	D21 T22 N28 C29 A86	D21-Q25 WeakPolarHBondContact O-CB 3.29Å; D21-Q25 VanDerWaalsContact O-CG 3.29Å; D21-Q25 WeakPolarHBondContact O-CG 3.32Å; D21-Q25 PolarHBondContact O-N 3.45Å; D21-Q25 PolarHBondContact OD1-NE2 3Å; D21-Q25 PolarHBondContact OD2-NE2 3.23Å; T22-Q25 PolarHBondContact O-N 3.24Å; Q25-N28 PolarHBondContact O-N 3.29Å; Q25-C29 VanDerWaalsContact O-CB 3.31Å; Q25-C29 WeakPolarHBondContact O-CB 3.5Å; Q25-C29 PolarHBondContact O-N 2.97Å; Q25-A86 HydrophobicContact CB-CB 4.26Å
26	R	93.8	Very high	83.4	Confident	89 Å²	89	66.6 Å²	66.6	34%	0.336	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174.7	-77.6	178.1	164.9	136.4	6.6	111.9	E12 T22 Q24 N28 C29 K30 Y64 A86	E12-R26 IonicContact OE2-CZ 3.24Å; E12-R26 VanDerWaalsContact OE2-CZ 3.24Å; E12-R26 IonicContact OE2-NH1 3.24Å; E12-R26 PolarHBondContact OE2-NH1 2.96Å; E12-R26 IonicContact OE2-NH2 2.65Å; E12-R26 PolarHBondContact OE2-NH2 3.36Å; T22-R26 HydrophobicContact CG2-CG 4.31Å; T22-R26 VanDerWaalsContact CG2-NH1 3.32Å; T22-R26 WeakPolarHBondContact O-CB 3.48Å; T22-R26 VanDerWaalsContact O-CG 3.32Å; T22-R26 WeakPolarHBondContact O-CG 3.49Å; T22-R26 PolarHBondContact O-N 3.42Å; Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 2.94Å; R26-N28 PolarHBondContact O-N 3.4Å; R26-C29 PolarHBondContact O-N 2.93Å; R26-K30 WeakPolarHBondContact O-CB 3.19Å; R26-K30 PolarHBondContact O-N 3.16Å; R26-Y64 PolarHBondContact NE-O 3.34Å; R26-A86 HydrophobicContact CG-CB 4.04Å
27	G	94.9	Very high	85.7	Confident	42 Å²	42	65.5 Å²	65.5	43%	0.433	36%	0.36	S	S	.	.	H	α-helix	trans	-59.2	-46.1	177.8	0	0	0	0	0	112.2	S23 Q24 K30 Y31	S23-G27 PolarHBondContact O-N 3.44Å; Q24-G27 PolarHBondContact O-N 3.12Å; G27-K30 PolarHBondContact O-N 2.97Å; G27-Y31 PolarHBondContact O-N 3.04Å
28	N	96	Very high	88	Confident	54 Å²	54	67.6 Å²	67.6	29%	0.289	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-46.8	176.5	-174.3	45.9	0	0	0	112	Q24 Q25 R26 K30 Y31 L32 Q90	Q24-N28 WeakPolarHBondContact O-CB 3.49Å; Q24-N28 PolarHBondContact O-N 3.29Å; Q25-N28 PolarHBondContact O-N 3.29Å; R26-N28 PolarHBondContact O-N 3.4Å; N28-K30 VanDerWaalsContact C-N 3.28Å; N28-K30 PolarHBondContact O-N 3.46Å; N28-Y31 PolarHBondContact O-N 2.81Å; N28-L32 WeakPolarHBondContact O-CB 3.39Å; N28-L32 VanDerWaalsContact O-CG 3.3Å; N28-L32 WeakPolarHBondContact O-CG 3.47Å; N28-L32 PolarHBondContact O-N 2.79Å; N28-Q90 PolarHBondContact ND2-OE1 3.36Å
29	C	96.5	Very high	89.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-38.6	179.2	-169	0	0	0	0	111.8	Q25 R26 A33 Y64 A86	Q25-C29 VanDerWaalsContact O-CB 3.31Å; Q25-C29 WeakPolarHBondContact O-CB 3.5Å; Q25-C29 PolarHBondContact O-N 2.97Å; R26-C29 PolarHBondContact O-N 2.93Å; C29-A33 VanDerWaalsContact O-CB 3.31Å; C29-A33 WeakPolarHBondContact O-CB 3.46Å; C29-A33 PolarHBondContact O-N 3.27Å; C29-Y64 HydrophobicContact CB-CD1 3.96Å; C29-A86 HydrophobicContact CB-CB 4.02Å
30	K	96.6	Very high	91.7	Very high	104 Å²	104	63.9 Å²	63.9	45%	0.452	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-48.8	174.4	-179.5	179	174.5	-175.8	0	112.2	R26 G27 N28 L32 A33 E34 Y64	R26-K30 WeakPolarHBondContact O-CB 3.19Å; R26-K30 PolarHBondContact O-N 3.16Å; G27-K30 PolarHBondContact O-N 2.97Å; N28-K30 VanDerWaalsContact C-N 3.28Å; N28-K30 PolarHBondContact O-N 3.46Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.27Å; K30-A33 WeakPolarHBondContact O-CB 3.36Å; K30-A33 PolarHBondContact O-N 2.93Å; K30-A33 VanDerWaalsContact O-N 3.12Å; K30-E34 WeakPolarHBondContact CE-OE1 3.22Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 3.43Å; K30-Y64 VanDerWaalsContact CA-CE1 3.5Å; K30-Y64 HydrophobicContact CB-CD1 4.36Å; K30-Y64 HydrophobicContact CB-CD2 4.07Å; K30-Y64 HydrophobicContact CB-CE1 4.1Å; K30-Y64 HydrophobicContact CB-CE2 3.83Å; K30-Y64 HydrophobicContact CB-CG 4.34Å; K30-Y64 HydrophobicContact CD-CE2 4.29Å; K30-Y64 HydrophobicContact CG-CD2 4.4Å; K30-Y64 HydrophobicContact CG-CE2 3.79Å
31	Y	97	Very high	93.4	Very high	133 Å²	133	60.1 Å²	60.1	52%	0.522	31%	0.306	S	S	.	.	H	α-helix	trans	-56.6	-46.1	176.9	168.6	-105.1	0	0	0	111.9	G27 N28 A33 E34 N35	G27-Y31 PolarHBondContact O-N 3.04Å; N28-Y31 PolarHBondContact O-N 2.81Å; Y31-A33 VanDerWaalsContact C-N 3.33Å; Y31-A33 PolarHBondContact O-N 3Å; Y31-E34 PolarHBondContact O-N 3.17Å; Y31-N35 WeakPolarHBondContact CE1-ND2 3.27Å; Y31-N35 PolarHBondContact O-N 2.75Å; Y31-N35 VanDerWaalsContact O-N 3.16Å
32	L	97.7	Very high	94.6	Very high	17 Å²	17	56 Å²	56	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-35.7	176.7	-67.9	172.3	0	0	0	112.5	N28 K30 E34 N35 V36 E92 V95	N28-L32 WeakPolarHBondContact O-CB 3.39Å; N28-L32 VanDerWaalsContact O-CG 3.3Å; N28-L32 WeakPolarHBondContact O-CG 3.47Å; N28-L32 PolarHBondContact O-N 2.79Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.27Å; L32-E34 VanDerWaalsContact C-N 3.33Å; L32-N35 PolarHBondContact O-N 2.95Å; L32-V36 PolarHBondContact O-N 3.02Å; L32-E92 HydrophobicContact CD2-CB 4.15Å; L32-V95 HydrophobicContact CB-CB 4.31Å; L32-V95 HydrophobicContact CB-CG1 4.48Å; L32-V95 HydrophobicContact CB-CG2 3.76Å; L32-V95 HydrophobicContact CD1-CG2 4.15Å
33	A	97.2	Very high	95.3	Very high	1 Å²	1	61 Å²	61	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-35.4	176.4	0	0	0	0	0	112	C29 K30 Y31 N35 V36 L37 Y64 L84 V95	C29-A33 VanDerWaalsContact O-CB 3.31Å; C29-A33 WeakPolarHBondContact O-CB 3.46Å; C29-A33 PolarHBondContact O-N 3.27Å; K30-A33 WeakPolarHBondContact O-CB 3.36Å; K30-A33 PolarHBondContact O-N 2.93Å; K30-A33 VanDerWaalsContact O-N 3.12Å; Y31-A33 VanDerWaalsContact C-N 3.33Å; Y31-A33 PolarHBondContact O-N 3Å; A33-N35 VanDerWaalsContact C-N 3.35Å; A33-V36 VanDerWaalsContact O-CG2 3.27Å; A33-V36 WeakPolarHBondContact O-CG2 3.32Å; A33-V36 PolarHBondContact O-N 2.78Å; A33-L37 WeakPolarHBondContact O-CD2 3.11Å; A33-L37 WeakPolarHBondContact O-CG 3.29Å; A33-Y64 HydrophobicContact CB-CE1 3.73Å; A33-Y64 WeakPolarHBondContact CB-OH 3.47Å; A33-L84 HydrophobicContact CB-CD1 4.25Å; A33-V95 HydrophobicContact CB-CG1 3.83Å
34	E	96	Very high	95.8	Very high	99 Å²	99	60.3 Å²	60.3	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-36.8	172.9	-71.5	170.8	178.5	0	0	112	K30 Y31 L32 V36 L37	K30-E34 WeakPolarHBondContact CE-OE1 3.22Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 3.43Å; Y31-E34 PolarHBondContact O-N 3.17Å; L32-E34 VanDerWaalsContact C-N 3.33Å; E34-V36 PolarHBondContact O-N 3.5Å; E34-L37 WeakPolarHBondContact O-CB 3.31Å; E34-L37 VanDerWaalsContact O-CG 3.27Å; E34-L37 WeakPolarHBondContact O-CG 3.45Å; E34-L37 PolarHBondContact O-N 3.48Å
35	N	96.4	Very high	96.2	Very high	67 Å²	67	53.3 Å²	53.3	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-67	-34.2	177.7	-70.2	-10.2	0	0	0	113.2	Y31 L32 A33 L37	Y31-N35 WeakPolarHBondContact CE1-ND2 3.27Å; Y31-N35 PolarHBondContact O-N 2.75Å; Y31-N35 VanDerWaalsContact O-N 3.16Å; L32-N35 PolarHBondContact O-N 2.95Å; A33-N35 VanDerWaalsContact C-N 3.35Å; N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 3.4Å
36	V	96.9	Very high	96.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-84.1	-1.3	-177.7	-57.2	0	0	0	0	113.5	L32 A33 E34 Q38 N39 E92 V95 L96 L99	L32-V36 PolarHBondContact O-N 3.02Å; A33-V36 VanDerWaalsContact O-CG2 3.27Å; A33-V36 WeakPolarHBondContact O-CG2 3.32Å; A33-V36 PolarHBondContact O-N 2.78Å; E34-V36 PolarHBondContact O-N 3.5Å; V36-Q38 PolarHBondContact O-N 3.44Å; V36-N39 WeakPolarHBondContact O-CB 3.36Å; V36-N39 PolarHBondContact O-N 2.92Å; V36-E92 HydrophobicContact CG1-CG 3.38Å; V36-V95 HydrophobicContact CG2-CG1 4.04Å; V36-L96 HydrophobicContact CB-CB 4.37Å; V36-L96 HydrophobicContact CB-CD1 4.14Å; V36-L96 HydrophobicContact CG1-CB 3.92Å; V36-L99 HydrophobicContact CG2-CD2 3.9Å
37	L	94.5	Very high	96.6	Very high	49 Å²	49	55.3 Å²	55.3	26%	0.257	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.4	-32.4	-177.8	-65	-171.2	0	0	0	113.7	A33 E34 N35 N39 E43 F58	A33-L37 WeakPolarHBondContact O-CD2 3.11Å; A33-L37 WeakPolarHBondContact O-CG 3.29Å; E34-L37 WeakPolarHBondContact O-CB 3.31Å; E34-L37 VanDerWaalsContact O-CG 3.27Å; E34-L37 WeakPolarHBondContact O-CG 3.45Å; E34-L37 PolarHBondContact O-N 3.48Å; N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 3.4Å; L37-N39 VanDerWaalsContact C-N 3.26Å; L37-E43 VanDerWaalsContact O-CG 3.29Å; L37-E43 WeakPolarHBondContact O-CG 2.84Å; L37-F58 HydrophobicContact CD1-CD2 4.17Å; L37-F58 HydrophobicContact CD1-CE2 4.45Å; L37-F58 HydrophobicContact CD1-CG 4.3Å; L37-F58 HydrophobicContact CD2-CD1 3.46Å; L37-F58 VanDerWaalsContact CD2-CD1 3.46Å; L37-F58 HydrophobicContact CD2-CD2 3.73Å; L37-F58 HydrophobicContact CD2-CE1 3.11Å; L37-F58 HydrophobicContact CD2-CE2 3.39Å; L37-F58 HydrophobicContact CD2-CG 3.78Å; L37-F58 HydrophobicContact CD2-CZ 3.09Å; L37-F58 HydrophobicContact CG-CE2 4.43Å; L37-F58 HydrophobicContact CG-CZ 4.45Å
38	Q	93.1	Very high	96.7	Very high	164 Å²	164	53.5 Å²	53.5	77%	0.766	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-86.4	3.5	176.7	-60.1	-156.2	-10.4	0	0	112.9	V36	V36-Q38 PolarHBondContact O-N 3.44Å
39	N	96.9	Very high	96.8	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.139	24%	0.237	C	C	.	.	S	Bend	trans	-66.7	130	173.4	-172.5	-79.1	0	0	0	109.1	V36 L37 V41 I42 E43 L96 S141	V36-N39 WeakPolarHBondContact O-CB 3.36Å; V36-N39 PolarHBondContact O-N 2.92Å; L37-N39 VanDerWaalsContact C-N 3.26Å; N39-V41 PolarHBondContact O-N 3.02Å; N39-V41 VanDerWaalsContact OD1-CB 3.32Å; N39-V41 WeakPolarHBondContact OD1-CB 3.34Å; N39-V41 WeakPolarHBondContact OD1-CG2 3.33Å; N39-V41 PolarHBondContact OD1-N 3.31Å; N39-I42 HydrophobicContact CB-CB 4.47Å; N39-I42 HydrophobicContact CB-CG1 4.13Å; N39-I42 PolarHBondContact O-N 2.88Å; N39-E43 PolarHBondContact O-N 3.33Å; N39-L96 HydrophobicContact CB-CD1 3.79Å; N39-S141 WeakPolarHBondContact ND2-CB 3.48Å; N39-S141 PolarHBondContact ND2-OG 3.15Å
40	P	96.5	Very high	96.9	Very high	67 Å²	67	57.5 Å²	57.5	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-55.7	-29.5	-176	-28.8	35.2	0	0	0	114.5	Q44	P40-Q44 WeakPolarHBondContact O-CB 3.49Å; P40-Q44 PolarHBondContact O-N 3.21Å
41	V	97	Very high	96.9	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-47.5	176	-179.6	0	0	0	0	110.8	N39 Q44 L45 A100 I133 V138 H139 L142 F196	N39-V41 PolarHBondContact O-N 3.02Å; N39-V41 VanDerWaalsContact OD1-CB 3.32Å; N39-V41 WeakPolarHBondContact OD1-CB 3.34Å; N39-V41 WeakPolarHBondContact OD1-CG2 3.33Å; N39-V41 PolarHBondContact OD1-N 3.31Å; V41-Q44 PolarHBondContact O-N 2.97Å; V41-L45 HydrophobicContact CG1-CD1 3.97Å; V41-L45 WeakPolarHBondContact O-CG 2.89Å; V41-L45 PolarHBondContact O-N 3.15Å; V41-A100 HydrophobicContact CG1-CB 4Å; V41-I133 HydrophobicContact CG1-CD1 4.41Å; V41-V138 HydrophobicContact CG1-CG2 4.4Å; V41-V138 HydrophobicContact CG2-CG2 4.31Å; V41-H139 HydrophobicContact CG2-CB 3.31Å; V41-L142 HydrophobicContact CG1-CD1 4Å; V41-L142 HydrophobicContact CG2-CD1 3.93Å; V41-L142 HydrophobicContact CG2-CG 4.42Å; V41-F196 HydrophobicContact CG1-CE1 4.26Å; V41-F196 HydrophobicContact CG1-CZ 3.73Å
42	I	97.8	Very high	96.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-45.7	-178.4	-59.3	-56.8	0	0	0	109.7	N39 Q44 L45 V46 F58 L96 L99 A100 L103	N39-I42 HydrophobicContact CB-CB 4.47Å; N39-I42 HydrophobicContact CB-CG1 4.13Å; N39-I42 PolarHBondContact O-N 2.88Å; I42-Q44 VanDerWaalsContact C-N 3.32Å; I42-Q44 PolarHBondContact O-N 3.45Å; I42-L45 PolarHBondContact O-N 3.29Å; I42-V46 HydrophobicContact CG2-CG2 4.32Å; I42-V46 WeakPolarHBondContact O-CB 3.44Å; I42-V46 VanDerWaalsContact O-CG2 3.31Å; I42-V46 WeakPolarHBondContact O-CG2 3.32Å; I42-V46 PolarHBondContact O-N 3.36Å; I42-F58 HydrophobicContact CG2-CZ 3.85Å; I42-L96 HydrophobicContact CD1-CD1 3.94Å; I42-L96 HydrophobicContact CG1-CD1 3.63Å; I42-L99 HydrophobicContact CD1-CB 4.26Å; I42-L99 HydrophobicContact CD1-CD2 3.93Å; I42-L99 HydrophobicContact CD1-CG 3.89Å; I42-L99 HydrophobicContact CG1-CD2 4.37Å; I42-L99 HydrophobicContact CG2-CD2 4.22Å; I42-A100 HydrophobicContact CD1-CB 3.84Å; I42-L103 HydrophobicContact CD1-CD1 3.99Å; I42-L103 HydrophobicContact CG2-CD1 4.11Å
43	E	96.9	Very high	96.7	Very high	104 Å²	104	57 Å²	57	49%	0.486	29%	0.29	S	S	.	.	H	α-helix	trans	-57.7	-45.5	176.2	-67.9	-170	151	0	0	111.8	L37 N39 V46 R47	L37-E43 VanDerWaalsContact O-CG 3.29Å; L37-E43 WeakPolarHBondContact O-CG 2.84Å; N39-E43 PolarHBondContact O-N 3.33Å; E43-V46 PolarHBondContact O-N 3.14Å; E43-R47 VanDerWaalsContact O-CB 3.22Å; E43-R47 WeakPolarHBondContact O-CB 3.29Å; E43-R47 PolarHBondContact O-N 2.9Å
44	Q	97.3	Very high	96.7	Very high	64 Å²	64	58 Å²	58	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-43.4	-180	-179.2	60.1	11.9	0	0	112	P40 V41 I42 R47 A48 P195 F196	P40-Q44 WeakPolarHBondContact O-CB 3.49Å; P40-Q44 PolarHBondContact O-N 3.21Å; V41-Q44 PolarHBondContact O-N 2.97Å; I42-Q44 VanDerWaalsContact C-N 3.32Å; I42-Q44 PolarHBondContact O-N 3.45Å; Q44-R47 PolarHBondContact O-N 3.44Å; Q44-A48 VanDerWaalsContact O-CB 3.28Å; Q44-A48 WeakPolarHBondContact O-CB 3.29Å; Q44-A48 PolarHBondContact O-N 3.1Å; Q44-P195 HydrophobicContact CG-CG 4.26Å; Q44-P195 PolarHBondContact NE2-O 3.42Å; Q44-F196 HydrophobicContact CB-CE1 3.91Å; Q44-F196 HydrophobicContact CG-CD1 4.01Å; Q44-F196 HydrophobicContact CG-CE1 3.75Å; Q44-F196 HydrophobicContact CG-CZ 4.49Å
45	L	98	Very high	96.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-47.5	176.7	-75.4	164.4	0	0	0	111.4	V41 I42 R47 A48 I49 A100 L103 V104 P195 F196	V41-L45 HydrophobicContact CG1-CD1 3.97Å; V41-L45 WeakPolarHBondContact O-CG 2.89Å; V41-L45 PolarHBondContact O-N 3.15Å; I42-L45 PolarHBondContact O-N 3.29Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 3.3Å; L45-A48 PolarHBondContact O-N 3.49Å; L45-I49 WeakPolarHBondContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CD1 3.44Å; L45-I49 WeakPolarHBondContact O-CG1 3.28Å; L45-I49 PolarHBondContact O-N 3.23Å; L45-A100 HydrophobicContact CD1-CB 4.2Å; L45-L103 HydrophobicContact CB-CB 4.03Å; L45-L103 HydrophobicContact CB-CD1 4.21Å; L45-L103 HydrophobicContact CD1-CB 3.85Å; L45-L103 HydrophobicContact CD1-CD1 4.49Å; L45-L103 HydrophobicContact CG-CB 4.4Å; L45-V104 HydrophobicContact CD1-CG2 4.38Å; L45-V104 HydrophobicContact CD2-CG2 3.98Å; L45-P195 HydrophobicContact CD2-CG 3.93Å; L45-F196 HydrophobicContact CD1-CZ 4.18Å; L45-F196 HydrophobicContact CD2-CE2 3.96Å; L45-F196 HydrophobicContact CD2-CZ 4.12Å; L45-F196 HydrophobicContact CG-CE2 4.14Å; L45-F196 HydrophobicContact CG-CZ 3.79Å
46	V	97.7	Very high	96.6	Very high	11 Å²	11	56.7 Å²	56.7	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-41.5	178.6	171.2	0	0	0	0	111.3	I42 E43 R50 F56 F58 L103	I42-V46 HydrophobicContact CG2-CG2 4.32Å; I42-V46 WeakPolarHBondContact O-CB 3.44Å; I42-V46 VanDerWaalsContact O-CG2 3.31Å; I42-V46 WeakPolarHBondContact O-CG2 3.32Å; I42-V46 PolarHBondContact O-N 3.36Å; E43-V46 PolarHBondContact O-N 3.14Å; V46-R50 WeakPolarHBondContact O-CG 3.49Å; V46-R50 PolarHBondContact O-N 3.18Å; V46-R50 VanDerWaalsContact O-N 3.15Å; V46-F56 HydrophobicContact CB-CD1 4.4Å; V46-F56 HydrophobicContact CG1-CD1 3.74Å; V46-F56 HydrophobicContact CG1-CE1 4.41Å; V46-F56 HydrophobicContact CG1-CG 4.39Å; V46-F56 HydrophobicContact CG2-CD1 3.84Å; V46-F56 HydrophobicContact CG2-CE1 3.76Å; V46-F56 HydrophobicContact CG2-CZ 4.38Å; V46-F58 HydrophobicContact CG2-CE2 3.95Å; V46-F58 HydrophobicContact CG2-CZ 3.74Å; V46-L103 HydrophobicContact CG2-CD1 4.16Å
47	R	97.3	Very high	96.4	Very high	154 Å²	154	59.8 Å²	59.8	58%	0.581	30%	0.299	S	S	*	.	H	α-helix	trans	-60.5	-48.1	174.6	178.6	178.7	177.9	156.1	-0.1	111.1	E43 Q44 L45 R50 Q51	E43-R47 VanDerWaalsContact O-CB 3.22Å; E43-R47 WeakPolarHBondContact O-CB 3.29Å; E43-R47 PolarHBondContact O-N 2.9Å; Q44-R47 PolarHBondContact O-N 3.44Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 3.3Å; R47-R50 PolarHBondContact O-N 2.99Å; R47-Q51 WeakPolarHBondContact O-CG 3.05Å; R47-Q51 PolarHBondContact O-N 2.86Å
48	A	98	Very high	96.3	Very high	4 Å²	4	59.9 Å²	59.9	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-43.3	-178.3	0	0	0	0	0	112.1	Q44 L45 R50 Q51 S52 F107 P195	Q44-A48 VanDerWaalsContact O-CB 3.28Å; Q44-A48 WeakPolarHBondContact O-CB 3.29Å; Q44-A48 PolarHBondContact O-N 3.1Å; L45-A48 PolarHBondContact O-N 3.49Å; A48-R50 VanDerWaalsContact C-N 3.28Å; A48-R50 PolarHBondContact O-N 2.89Å; A48-Q51 CarbonylContact O-C 3.42Å; A48-Q51 PolarHBondContact O-N 2.91Å; A48-Q51 VanDerWaalsContact O-N 3.1Å; A48-S52 PolarHBondContact O-N 3.21Å; A48-S52 PolarHBondContact O-OG 2.84Å; A48-S52 VanDerWaalsContact O-OG 3.12Å; A48-F107 HydrophobicContact CB-CD2 3.81Å; A48-F107 HydrophobicContact CB-CE2 3.48Å; A48-F107 VanDerWaalsContact CB-CE2 3.48Å; A48-F107 HydrophobicContact CB-CZ 4.14Å; A48-P195 HydrophobicContact CB-CB 3.32Å; A48-P195 HydrophobicContact CB-CG 3.61Å
49	I	97.9	Very high	96.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-52.8	-47.2	173.1	-73.6	163.9	0	0	0	110.8	L45 S52 C54 F56 L103 M106 F107	L45-I49 WeakPolarHBondContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CD1 3.44Å; L45-I49 WeakPolarHBondContact O-CG1 3.28Å; L45-I49 PolarHBondContact O-N 3.23Å; I49-S52 PolarHBondContact O-N 3.35Å; I49-C54 HydrophobicContact CG2-CB 3.61Å; I49-C54 WeakPolarHBondContact O-CB 3.35Å; I49-C54 PolarHBondContact O-N 3.01Å; I49-C54 VanDerWaalsContact O-N 3.15Å; I49-F56 HydrophobicContact CG2-CB 4.04Å; I49-L103 HydrophobicContact CD1-CB 4.34Å; I49-L103 HydrophobicContact CD1-CD2 3.69Å; I49-M106 HydrophobicContact CD1-CB 4.1Å; I49-M106 HydrophobicContact CD1-CG 4.02Å; I49-M106 HydrophobicContact CD1-SD 4.33Å; I49-M106 HydrophobicContact CG1-CG 4.38Å; I49-M106 HydrophobicContact CG2-CE 3.8Å; I49-M106 HydrophobicContact CG2-CG 4.34Å; I49-M106 HydrophobicContact CG2-SD 4.44Å; I49-F107 HydrophobicContact CD1-CB 4.42Å; I49-F107 HydrophobicContact CG1-CB 3.78Å; I49-F107 HydrophobicContact CG1-CD2 4.21Å; I49-F107 HydrophobicContact CG1-CG 4.5Å
50	R	97.4	Very high	96	Very high	138 Å²	138	61 Å²	61	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-41.1	177.9	-71.2	172.2	176.1	174.3	-0.2	112.5	V46 R47 A48 S52 G53 C54 F56	V46-R50 WeakPolarHBondContact O-CG 3.49Å; V46-R50 PolarHBondContact O-N 3.18Å; V46-R50 VanDerWaalsContact O-N 3.15Å; R47-R50 PolarHBondContact O-N 2.99Å; A48-R50 VanDerWaalsContact C-N 3.28Å; A48-R50 PolarHBondContact O-N 2.89Å; R50-S52 VanDerWaalsContact C-N 3.26Å; R50-S52 PolarHBondContact O-N 2.64Å; R50-G53 PolarHBondContact O-N 2.66Å; R50-G53 VanDerWaalsContact O-N 3.14Å; R50-C54 WeakPolarHBondContact CA-O 3.16Å; R50-F56 HydrophobicContact CG-CB 4.46Å; R50-F56 PolarHBondContact NE-O 3.03Å; R50-F56 PolarHBondContact NH2-O 2.65Å
51	Q	97.2	Very high	96	Very high	132 Å²	132	57.8 Å²	57.8	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-67.4	-27.8	177.2	-72.5	177.4	-29.4	0	0	112.6	R47 A48 G53	R47-Q51 WeakPolarHBondContact O-CG 3.05Å; R47-Q51 PolarHBondContact O-N 2.86Å; A48-Q51 CarbonylContact O-C 3.42Å; A48-Q51 PolarHBondContact O-N 2.91Å; A48-Q51 VanDerWaalsContact O-N 3.1Å; Q51-G53 PolarHBondContact O-N 2.9Å
52	S	96.6	Very high	96	Very high	42 Å²	42	58.2 Å²	58.2	29%	0.294	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	7.6	172.7	-59.1	0	0	0	0	113.9	A48 I49 R50 F107 R111	A48-S52 PolarHBondContact O-N 3.21Å; A48-S52 PolarHBondContact O-OG 2.84Å; A48-S52 VanDerWaalsContact O-OG 3.12Å; I49-S52 PolarHBondContact O-N 3.35Å; R50-S52 VanDerWaalsContact C-N 3.26Å; R50-S52 PolarHBondContact O-N 2.64Å; S52-F107 WeakPolarHBondContact OG-CE2 3.34Å; S52-R111 WeakPolarHBondContact OG-CB 3.3Å
53	G	94.2	Very high	95.9	Very high	71 Å²	71	59.3 Å²	59.3	73%	0.732	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	2	174	0	0	0	0	0	115.2	R50 Q51	R50-G53 PolarHBondContact O-N 2.66Å; R50-G53 VanDerWaalsContact O-N 3.14Å; Q51-G53 PolarHBondContact O-N 2.9Å
54	C	96.2	Very high	95.8	Very high	20 Å²	20	56.2 Å²	56.2	14%	0.135	29%	0.292	C	S	.	.			trans	-88.3	138.5	175.3	-83	0	0	0	0	112.6	I49 R50 M106 C110	I49-C54 HydrophobicContact CG2-CB 3.61Å; I49-C54 WeakPolarHBondContact O-CB 3.35Å; I49-C54 PolarHBondContact O-N 3.01Å; I49-C54 VanDerWaalsContact O-N 3.15Å; R50-C54 WeakPolarHBondContact CA-O 3.16Å; C54-M106 HydrophobicContact CB-CE 4.34Å; C54-C110 HydrophobicContact CB-CB 3.74Å; C54-C110 WeakPolarHBondContact CB-SG 3.46Å; C54-C110 VanDerWaalsContact SG-CA 3.54Å; C54-C110 WeakPolarHBondContact SG-CB 3.19Å; C54-C110 CovalentContact SG-SG 2Å; C54-C110 PolarHBondContact SG-SG 3.41Å
55	Y	94.7	Very high	95.6	Very high	139 Å²	139	56.2 Å²	56.2	55%	0.545	29%	0.292	S	S	.	.			trans	-75.9	132.5	169	-180	-91	0	0	0	110.8	N57	Y55-N57 HydrophobicContact CD1-CB 4.49Å; Y55-N57 HydrophobicContact CE1-CB 3.46Å; Y55-N57 VanDerWaalsContact CE1-CB 3.46Å; Y55-N57 WeakPolarHBondContact OH-CB 3.44Å
56	F	95.6	Very high	95.3	Very high	1 Å²	1	58 Å²	58	0%	0.004	30%	0.299	C	S	.	.			trans	-135.7	121.4	172.6	-169.1	-87	0	0	0	112	V46 I49 R50 F58 N61 V62 L103 M106	V46-F56 HydrophobicContact CB-CD1 4.4Å; V46-F56 HydrophobicContact CG1-CD1 3.74Å; V46-F56 HydrophobicContact CG1-CE1 4.41Å; V46-F56 HydrophobicContact CG1-CG 4.39Å; V46-F56 HydrophobicContact CG2-CD1 3.84Å; V46-F56 HydrophobicContact CG2-CE1 3.76Å; V46-F56 HydrophobicContact CG2-CZ 4.38Å; I49-F56 HydrophobicContact CG2-CB 4.04Å; R50-F56 HydrophobicContact CG-CB 4.46Å; R50-F56 PolarHBondContact NE-O 3.03Å; R50-F56 PolarHBondContact NH2-O 2.65Å; F56-F58 HydrophobicContact CD1-CD2 4.39Å; F56-F58 HydrophobicContact CD1-CE2 4.24Å; F56-F58 AromaticContact CE1-CD1 3.85Å; F56-F58 HydrophobicContact CE1-CD1 3.85Å; F56-F58 AromaticContact CE1-CD2 3.68Å; F56-F58 HydrophobicContact CE1-CD2 3.68Å; F56-F58 AromaticContact CE1-CE1 3.66Å; F56-F58 HydrophobicContact CE1-CE1 3.66Å; F56-F58 AromaticContact CE1-CE2 3.51Å; F56-F58 HydrophobicContact CE1-CE2 3.51Å; F56-F58 AromaticContact CE1-CG 3.84Å; F56-F58 HydrophobicContact CE1-CG 3.84Å; F56-F58 AromaticContact CE1-CZ 3.47Å; F56-F58 HydrophobicContact CE1-CZ 3.47Å; F56-F58 VanDerWaalsContact CE1-CZ 3.47Å; F56-F58 HydrophobicContact CZ-CD1 4.09Å; F56-F58 AromaticContact CZ-CE1 3.84Å; F56-F58 HydrophobicContact CZ-CE1 3.84Å; F56-F58 HydrophobicContact CZ-CE2 4.47Å; F56-F58 HydrophobicContact CZ-CG 4.48Å; F56-F58 HydrophobicContact CZ-CZ 4.03Å; F56-N61 HydrophobicContact CD2-CB 3.94Å; F56-N61 HydrophobicContact CE2-CB 3.81Å; F56-N61 HydrophobicContact CZ-CB 4.36Å; F56-V62 HydrophobicContact CE2-CG2 4.5Å; F56-V62 HydrophobicContact CZ-CG2 3.82Å; F56-L103 HydrophobicContact CD2-CD2 4.21Å; F56-L103 HydrophobicContact CE2-CD2 3.44Å; F56-L103 VanDerWaalsContact CE2-CD2 3.44Å; F56-L103 HydrophobicContact CZ-CD2 3.68Å; F56-M106 HydrophobicContact CB-CE 4.45Å; F56-M106 HydrophobicContact CD2-CE 3.7Å; F56-M106 HydrophobicContact CD2-SD 3.54Å; F56-M106 VanDerWaalsContact CD2-SD 3.54Å; F56-M106 HydrophobicContact CE2-SD 3.85Å
57	N	93.7	Very high	95	Very high	67 Å²	67	57.7 Å²	57.7	36%	0.358	30%	0.297	S	S	.	.			trans	-135.1	125.1	171.2	178.1	-74.6	0	0	0	109.3	Y55 G59 R60 N61	Y55-N57 HydrophobicContact CD1-CB 4.49Å; Y55-N57 HydrophobicContact CE1-CB 3.46Å; Y55-N57 VanDerWaalsContact CE1-CB 3.46Å; Y55-N57 WeakPolarHBondContact OH-CB 3.44Å; N57-G59 VanDerWaalsContact C-N 3.3Å; N57-G59 PolarHBondContact O-N 3.02Å; N57-G59 PolarHBondContact OD1-N 3.35Å; N57-R60 HydrophobicContact CB-CB 4.31Å; N57-R60 PolarHBondContact O-N 3.22Å; N57-R60 PolarHBondContact OD1-N 2.97Å; N57-N61 PolarHBondContact N-OD1 2.72Å; N57-N61 VanDerWaalsContact O-CB 3.3Å; N57-N61 WeakPolarHBondContact O-CB 3.2Å; N57-N61 PolarHBondContact O-N 3.23Å; N57-N61 PolarHBondContact O-OD1 3.09Å; N57-N61 VanDerWaalsContact O-OD1 3.13Å
58	F	92.3	Very high	94.6	Very high	52 Å²	52	51.7 Å²	51.7	23%	0.228	28%	0.281	C	S	.	.	H	α-helix	trans	-55.5	-40.6	-176	-83.7	-77.5	0	0	0	114.1	L37 I42 V46 F56 R60 V62 L99	L37-F58 HydrophobicContact CD1-CD2 4.17Å; L37-F58 HydrophobicContact CD1-CE2 4.45Å; L37-F58 HydrophobicContact CD1-CG 4.3Å; L37-F58 HydrophobicContact CD2-CD1 3.46Å; L37-F58 VanDerWaalsContact CD2-CD1 3.46Å; L37-F58 HydrophobicContact CD2-CD2 3.73Å; L37-F58 HydrophobicContact CD2-CE1 3.11Å; L37-F58 HydrophobicContact CD2-CE2 3.39Å; L37-F58 HydrophobicContact CD2-CG 3.78Å; L37-F58 HydrophobicContact CD2-CZ 3.09Å; L37-F58 HydrophobicContact CG-CE2 4.43Å; L37-F58 HydrophobicContact CG-CZ 4.45Å; I42-F58 HydrophobicContact CG2-CZ 3.85Å; V46-F58 HydrophobicContact CG2-CE2 3.95Å; V46-F58 HydrophobicContact CG2-CZ 3.74Å; F56-F58 HydrophobicContact CD1-CD2 4.39Å; F56-F58 HydrophobicContact CD1-CE2 4.24Å; F56-F58 AromaticContact CE1-CD1 3.85Å; F56-F58 HydrophobicContact CE1-CD1 3.85Å; F56-F58 AromaticContact CE1-CD2 3.68Å; F56-F58 HydrophobicContact CE1-CD2 3.68Å; F56-F58 AromaticContact CE1-CE1 3.66Å; F56-F58 HydrophobicContact CE1-CE1 3.66Å; F56-F58 AromaticContact CE1-CE2 3.51Å; F56-F58 HydrophobicContact CE1-CE2 3.51Å; F56-F58 AromaticContact CE1-CG 3.84Å; F56-F58 HydrophobicContact CE1-CG 3.84Å; F56-F58 AromaticContact CE1-CZ 3.47Å; F56-F58 HydrophobicContact CE1-CZ 3.47Å; F56-F58 VanDerWaalsContact CE1-CZ 3.47Å; F56-F58 HydrophobicContact CZ-CD1 4.09Å; F56-F58 AromaticContact CZ-CE1 3.84Å; F56-F58 HydrophobicContact CZ-CE1 3.84Å; F56-F58 HydrophobicContact CZ-CE2 4.47Å; F56-F58 HydrophobicContact CZ-CG 4.48Å; F56-F58 HydrophobicContact CZ-CZ 4.03Å; F58-R60 VanDerWaalsContact C-N 3.29Å; F58-R60 PolarHBondContact O-N 3.05Å; F58-V62 HydrophobicContact CD1-CG2 3.66Å; F58-V62 HydrophobicContact CE1-CG2 4.09Å; F58-V62 WeakPolarHBondContact O-CB 3.42Å; F58-V62 PolarHBondContact O-N 3.37Å; F58-L99 HydrophobicContact CE1-CD2 4.09Å
59	G	91.3	Very high	94	Very high	76 Å²	76	60 Å²	60	78%	0.784	32%	0.316	S	S	*	.	H	α-helix	trans	-70.1	-23.2	-179.4	0	0	0	0	0	114.3	N57	N57-G59 VanDerWaalsContact C-N 3.3Å; N57-G59 PolarHBondContact O-N 3.02Å; N57-G59 PolarHBondContact OD1-N 3.35Å
60	R	92.1	Very high	93.2	Very high	137 Å²	137	66.6 Å²	66.6	52%	0.517	35%	0.351	S	S	.	.	H	α-helix	trans	-97.7	-42.9	178.7	-179.5	-171	174.2	-120.9	-5.6	112.5	N57 F58 Q81	N57-R60 HydrophobicContact CB-CB 4.31Å; N57-R60 PolarHBondContact O-N 3.22Å; N57-R60 PolarHBondContact OD1-N 2.97Å; F58-R60 VanDerWaalsContact C-N 3.29Å; F58-R60 PolarHBondContact O-N 3.05Å; R60-Q81 PolarHBondContact O-NE2 3Å
61	N	95.8	Very high	92.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-96.3	-10.7	-165.9	-65.5	99.7	0	0	0	113	F56 N57 H80 Q81 V82	F56-N61 HydrophobicContact CD2-CB 3.94Å; F56-N61 HydrophobicContact CE2-CB 3.81Å; F56-N61 HydrophobicContact CZ-CB 4.36Å; N57-N61 PolarHBondContact N-OD1 2.72Å; N57-N61 VanDerWaalsContact O-CB 3.3Å; N57-N61 WeakPolarHBondContact O-CB 3.2Å; N57-N61 PolarHBondContact O-N 3.23Å; N57-N61 PolarHBondContact O-OD1 3.09Å; N57-N61 VanDerWaalsContact O-OD1 3.13Å; N61-H80 PolarHBondContact ND2-O 2.82Å; N61-Q81 CarbonylContact O-C 3.54Å; N61-Q81 WeakPolarHBondContact O-CA 3.31Å; N61-V82 PolarHBondContact O-N 3.46Å
62	V	97.1	Very high	92.6	Very high	10 Å²	10	57.2 Å²	57.2	6%	0.061	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.5	175.4	-173.6	0	0	0	0	110	F56 F58 Y64 V82 L84 L99	F56-V62 HydrophobicContact CE2-CG2 4.5Å; F56-V62 HydrophobicContact CZ-CG2 3.82Å; F58-V62 HydrophobicContact CD1-CG2 3.66Å; F58-V62 HydrophobicContact CE1-CG2 4.09Å; F58-V62 WeakPolarHBondContact O-CB 3.42Å; F58-V62 PolarHBondContact O-N 3.37Å; V62-Y64 HydrophobicContact CG1-CE1 4.12Å; V62-Y64 HydrophobicContact CG1-CE2 4.25Å; V62-V82 CarbonylContact C-O 3.46Å; V62-V82 VanDerWaalsContact CA-O 3.32Å; V62-V82 WeakPolarHBondContact CA-O 3.32Å; V62-V82 HydrophobicContact CG2-CB 4.42Å; V62-L84 HydrophobicContact CG1-CD1 4Å; V62-L84 HydrophobicContact CG1-CG 4.21Å; V62-L99 HydrophobicContact CG2-CD1 4.23Å
63	A	95.7	Very high	92.5	Very high	23 Å²	23	55.9 Å²	55.9	19%	0.19	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.2	176.1	0	0	0	0	0	111	V82 I83 L84	A63-V82 PolarHBondContact N-O 2.81Å; A63-I83 HydrophobicContact CB-CG1 4.28Å; A63-L84 PolarHBondContact O-N 3.27Å
64	Y	95.2	Very high	92.6	Very high	40 Å²	40	53.3 Å²	53.3	16%	0.157	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	108.1	-179.2	-54.3	-85.9	0	0	0	109.3	R26 C29 K30 A33 V62 L84	R26-Y64 PolarHBondContact NE-O 3.34Å; C29-Y64 HydrophobicContact CB-CD1 3.96Å; K30-Y64 VanDerWaalsContact CA-CE1 3.5Å; K30-Y64 HydrophobicContact CB-CD1 4.36Å; K30-Y64 HydrophobicContact CB-CD2 4.07Å; K30-Y64 HydrophobicContact CB-CE1 4.1Å; K30-Y64 HydrophobicContact CB-CE2 3.83Å; K30-Y64 HydrophobicContact CB-CG 4.34Å; K30-Y64 HydrophobicContact CD-CE2 4.29Å; K30-Y64 HydrophobicContact CG-CD2 4.4Å; K30-Y64 HydrophobicContact CG-CE2 3.79Å; A33-Y64 HydrophobicContact CB-CE1 3.73Å; A33-Y64 WeakPolarHBondContact CB-OH 3.47Å; V62-Y64 HydrophobicContact CG1-CE1 4.12Å; V62-Y64 HydrophobicContact CG1-CE2 4.25Å; Y64-L84 WeakPolarHBondContact CA-O 3.44Å; Y64-L84 HydrophobicContact CD1-CB 4.16Å; Y64-L84 HydrophobicContact CD1-CD1 4.44Å; Y64-L84 HydrophobicContact CE1-CB 4.45Å; Y64-L84 HydrophobicContact CE1-CD1 3.92Å
65	E	93.6	Very high	92.5	Very high	64 Å²	64	53.5 Å²	53.5	30%	0.299	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.1	-171.7	-64.1	-168.5	-168.5	0	0	111.6	F10 I83 L84 C85 A86	F10-E65 HydrophobicContact CD1-CB 4.39Å; F10-E65 WeakPolarHBondContact CD1-OE2 3.5Å; E65-I83 HydrophobicContact CB-CG2 3.95Å; E65-I83 HydrophobicContact CG-CG2 4.03Å; E65-L84 PolarHBondContact N-O 2.83Å; E65-C85 CarbonylContact O-C 3.54Å; E65-C85 VanDerWaalsContact O-CA 3.28Å; E65-C85 WeakPolarHBondContact O-CA 3.39Å; E65-A86 PolarHBondContact O-N 3Å
66	K	91.5	Very high	92.4	Very high	36 Å²	36	49.1 Å²	49.1	16%	0.157	27%	0.271	C	S	.	.			trans	-85.2	126.2	166.5	179.5	179.1	-170.7	166.8	0	108.3	E12 T22 N87	E12-K66 VanDerWaalsContact CD-CB 3.45Å; E12-K66 HydrophobicContact CG-CB 3.76Å; E12-K66 HydrophobicContact CG-CD 3.85Å; E12-K66 HydrophobicContact CG-CG 4.26Å; E12-K66 VanDerWaalsContact OE1-CB 3.29Å; E12-K66 WeakPolarHBondContact OE1-CB 3.3Å; E12-K66 WeakPolarHBondContact OE1-CD 3.36Å; T22-K66 HydrophobicContact CG2-CB 4.41Å; K66-N87 WeakPolarHBondContact CA-OD1 3.22Å; K66-N87 HydrophobicContact CG-CB 4.47Å
67	C	90.7	Very high	92.1	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.034	28%	0.284	C	S	.	.			trans	-113.2	173.1	-178.2	-53.1	0	0	0	0	112	L9 F10 V71 C85 N87	L9-C67 CarbonylContact O-C 3.54Å; L9-C67 WeakPolarHBondContact O-CA 3.4Å; L9-C67 WeakPolarHBondContact O-CB 3.2Å; F10-C67 VanDerWaalsContact CE1-SG 3.55Å; C67-V71 HydrophobicContact CB-CB 4.27Å; C67-V71 HydrophobicContact CB-CG1 4.48Å; C67-C85 HydrophobicContact CB-CB 3.51Å; C67-C85 WeakPolarHBondContact CB-SG 3.5Å; C67-C85 WeakPolarHBondContact SG-CA 3.42Å; C67-C85 WeakPolarHBondContact SG-CB 3.02Å; C67-C85 CovalentContact SG-SG 2.02Å; C67-C85 PolarHBondContact SG-SG 2.99Å; C67-N87 PolarHBondContact N-OD1 3.47Å; C67-N87 PolarHBondContact O-ND2 3.36Å
68	A	89	Confident	91.9	Very high	28 Å²	28	55 Å²	55	23%	0.231	29%	0.292	C	S	.	.			trans	-56.1	153.8	164.1	0	0	0	0	0	111.5	L9 V71	L9-A68 PolarHBondContact O-N 3.36Å; A68-V71 HydrophobicContact CB-CG2 4.1Å; A68-V71 PolarHBondContact O-N 2.82Å
69	K	85.4	Confident	91.8	Very high	179 Å²	179	56.7 Å²	56.7	78%	0.778	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	144.5	177.4	-69.2	-173.8	177.1	-177.2	0	110.9	V71 E88	K69-V71 PolarHBondContact O-N 3.37Å; K69-E88 WeakPolarHBondContact CA-OE1 2.89Å
70	N	82.6	Confident	91.8	Very high	138 Å²	138	55.9 Å²	55.9	74%	0.738	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	15.1	-179.2	-49.2	-50.6	0	0	0	115	E88	N70-E88 PolarHBondContact N-OE1 2.87Å
71	V	89	Confident	91.9	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	27%	0.269	C	S	.	.			trans	-108.7	114.1	171.8	-175.5	0	0	0	0	107.9	L9 C67 A68 K69 G73 C85 E88 L169	L9-V71 HydrophobicContact CD2-CG1 4.44Å; L9-V71 HydrophobicContact CD2-CG2 3.84Å; C67-V71 HydrophobicContact CB-CB 4.27Å; C67-V71 HydrophobicContact CB-CG1 4.48Å; A68-V71 HydrophobicContact CB-CG2 4.1Å; A68-V71 PolarHBondContact O-N 2.82Å; K69-V71 PolarHBondContact O-N 3.37Å; V71-G73 WeakPolarHBondContact CG1-O 3.21Å; V71-C85 WeakPolarHBondContact O-CB 2.96Å; V71-C85 PolarHBondContact O-SG 3.04Å; V71-E88 WeakPolarHBondContact O-CG 3.45Å; V71-L169 HydrophobicContact CG2-CD2 4.11Å
72	C	92.8	Very high	91.9	Very high	61 Å²	61	52.5 Å²	52.5	41%	0.412	27%	0.269	S	S	.	.			trans	-87.2	-21.8	-177	-64.2	0	0	0	0	113	C85 N89 A98	C72-C85 VanDerWaalsContact C-SG 3.56Å; C72-C85 WeakPolarHBondContact O-CB 3.42Å; C72-C85 PolarHBondContact O-N 3.33Å; C72-N89 PolarHBondContact O-ND2 3.28Å; C72-A98 HydrophobicContact CB-CB 4.09Å
73	G	94.9	Very high	91.9	Very high	13 Å²	13	52.9 Å²	52.9	13%	0.134	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-172.1	-178.2	0	0	0	0	0	112.1	V71 I83 C85	V71-G73 WeakPolarHBondContact CG1-O 3.21Å; G73-I83 CarbonylContact C-O 3.59Å; G73-I83 WeakPolarHBondContact CA-O 3.13Å; G73-C85 PolarHBondContact N-SG 2.85Å
74	G	94.9	Very high	92	Very high	18 Å²	18	51.8 Å²	51.8	19%	0.186	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	164	167	0	0	0	0	0	111.4	I83 E102	G74-I83 PolarHBondContact N-O 2Å; G74-I83 PolarHBondContact O-N 3.02Å; G74-E102 VanDerWaalsContact CA-CD 3.44Å; G74-E102 WeakPolarHBondContact CA-OE2 3.42Å; G74-E102 VanDerWaalsContact N-CD 3.32Å; G74-E102 PolarHBondContact N-OE1 2.77Å
75	F	95.4	Very high	92	Very high	24 Å²	24	49.9 Å²	49.9	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.9	176.2	174.4	-116.1	0	0	0	110.8	W77 H80 Q81 V82 E102 H105 M106 L116	F75-W77 HydrophobicContact CD1-CB 4.13Å; F75-W77 VanDerWaalsContact CE1-CA 3.44Å; F75-W77 HydrophobicContact CE1-CB 3.59Å; F75-W77 HydrophobicContact CZ-CB 4.25Å; F75-W77 PolarHBondContact O-N 3.43Å; F75-H80 AromaticContact CZ-CD2 4Å; F75-Q81 WeakPolarHBondContact CA-O 3.45Å; F75-Q81 WeakPolarHBondContact CD2-O 3.46Å; F75-V82 HydrophobicContact CD2-CG2 4.21Å; F75-E102 PolarHBondContact N-OE2 3.44Å; F75-E102 VanDerWaalsContact N-OE2 3.11Å; F75-H105 HydrophobicContact CB-CB 3.83Å; F75-H105 HydrophobicContact CD1-CB 3.72Å; F75-H105 HydrophobicContact CG-CB 3.95Å; F75-M106 HydrophobicContact CD2-CB 3.93Å; F75-M106 HydrophobicContact CE1-CB 4.42Å; F75-M106 HydrophobicContact CE2-CB 3.47Å; F75-M106 VanDerWaalsContact CE2-CB 3.47Å; F75-M106 HydrophobicContact CE2-CG 3.63Å; F75-M106 HydrophobicContact CE2-SD 4Å; F75-M106 VanDerWaalsContact CZ-CA 3.47Å; F75-M106 HydrophobicContact CZ-CB 3.76Å; F75-M106 HydrophobicContact CZ-CG 3.85Å; F75-L116 HydrophobicContact CD1-CD1 3.65Å; F75-L116 HydrophobicContact CE1-CD1 4.37Å
76	D	92.3	Very high	92.1	Very high	46 Å²	46	46.9 Å²	46.9	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	98.7	168.5	-179.5	0.8	0	0	0	109.7	K78 N79 H80 Q81	D76-K78 VanDerWaalsContact C-N 3.26Å; D76-K78 PolarHBondContact O-N 2.91Å; D76-K78 PolarHBondContact OD1-N 3.04Å; D76-N79 PolarHBondContact O-N 3.42Å; D76-N79 PolarHBondContact OD1-N 2.73Å; D76-N79 WeakPolarHBondContact OD2-CB 2.94Å; D76-N79 PolarHBondContact OD2-ND2 3.05Å; D76-H80 VanDerWaalsContact O-CA 3.22Å; D76-H80 WeakPolarHBondContact O-CA 3.46Å; D76-H80 PolarHBondContact O-N 2.82Å; D76-Q81 HydrophobicContact CB-CB 4.38Å; D76-Q81 PolarHBondContact N-O 3.33Å; D76-Q81 PolarHBondContact O-N 3.46Å
77	W	88.3	Confident	92.2	Very high	69 Å²	69	46.8 Å²	46.8	26%	0.261	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.4	-179.8	74.1	-88	0	0	0	114	F75 N115 L116 E117	F75-W77 HydrophobicContact CD1-CB 4.13Å; F75-W77 VanDerWaalsContact CE1-CA 3.44Å; F75-W77 HydrophobicContact CE1-CB 3.59Å; F75-W77 HydrophobicContact CZ-CB 4.25Å; F75-W77 PolarHBondContact O-N 3.43Å; W77-N115 WeakPolarHBondContact CZ2-OD1 3.28Å; W77-L116 HydrophobicContact CB-CG 4.4Å; W77-L116 HydrophobicContact CG-CB 4.41Å; W77-E117 HydrophobicContact CZ2-CG 3.87Å
78	K	89.6	Confident	92.4	Very high	122 Å²	122	48.2 Å²	48.2	53%	0.53	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-41.6	-179.6	-66.4	-178.5	-178.8	173.9	0	110.9	D76 E117	D76-K78 VanDerWaalsContact C-N 3.26Å; D76-K78 PolarHBondContact O-N 2.91Å; D76-K78 PolarHBondContact OD1-N 3.04Å; K78-E117 IonicContact NZ-OE1 3.38Å; K78-E117 PolarHBondContact NZ-OE1 2.98Å
79	N	90.6	Very high	92.7	Very high	89 Å²	89	47 Å²	47	48%	0.476	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-4	-179.7	-64.2	-58.4	0	0	0	113.5	D76 Q81	D76-N79 PolarHBondContact O-N 3.42Å; D76-N79 PolarHBondContact OD1-N 2.73Å; D76-N79 WeakPolarHBondContact OD2-CB 2.94Å; D76-N79 PolarHBondContact OD2-ND2 3.05Å; N79-Q81 VanDerWaalsContact C-N 3.32Å; N79-Q81 HydrophobicContact CB-CG 4.04Å; N79-Q81 PolarHBondContact O-N 2.8Å
80	H	90.8	Very high	93.1	Very high	59 Å²	59	41.7 Å²	41.7	27%	0.273	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	48.8	-171.5	-66.5	95	0	0	0	111.9	N61 F75 D76 M106	N61-H80 PolarHBondContact ND2-O 2.82Å; F75-H80 AromaticContact CZ-CD2 4Å; D76-H80 VanDerWaalsContact O-CA 3.22Å; D76-H80 WeakPolarHBondContact O-CA 3.46Å; D76-H80 PolarHBondContact O-N 2.82Å; H80-M106 HydrophobicContact CB-CE 3.76Å
81	Q	95.1	Very high	93.8	Very high	65 Å²	65	38.5 Å²	38.5	30%	0.304	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.9	179.9	-69.1	-171.8	-52.6	0	0	111.1	R60 N61 F75 D76 N79	R60-Q81 PolarHBondContact O-NE2 3Å; N61-Q81 CarbonylContact O-C 3.54Å; N61-Q81 WeakPolarHBondContact O-CA 3.31Å; F75-Q81 WeakPolarHBondContact CA-O 3.45Å; F75-Q81 WeakPolarHBondContact CD2-O 3.46Å; D76-Q81 HydrophobicContact CB-CB 4.38Å; D76-Q81 PolarHBondContact N-O 3.33Å; D76-Q81 PolarHBondContact O-N 3.46Å; N79-Q81 VanDerWaalsContact C-N 3.32Å; N79-Q81 HydrophobicContact CB-CG 4.04Å; N79-Q81 PolarHBondContact O-N 2.8Å
82	V	96.4	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.9	168.3	169.6	0	0	0	0	108.1	N61 V62 A63 F75 L84 L99 E102 L103	N61-V82 PolarHBondContact O-N 3.46Å; V62-V82 CarbonylContact C-O 3.46Å; V62-V82 VanDerWaalsContact CA-O 3.32Å; V62-V82 WeakPolarHBondContact CA-O 3.32Å; V62-V82 HydrophobicContact CG2-CB 4.42Å; A63-V82 PolarHBondContact N-O 2.81Å; F75-V82 HydrophobicContact CD2-CG2 4.21Å; V82-L84 HydrophobicContact CG1-CD2 4.3Å; V82-L84 HydrophobicContact CG1-CG 4.38Å; V82-L99 HydrophobicContact CG1-CD1 3.99Å; V82-E102 HydrophobicContact CB-CB 4.18Å; V82-E102 HydrophobicContact CG1-CB 3.45Å; V82-E102 VanDerWaalsContact CG1-CB 3.45Å; V82-E102 HydrophobicContact CG1-CG 3.87Å; V82-E102 HydrophobicContact CG2-CB 3.85Å; V82-L103 HydrophobicContact CG2-CD2 4.2Å
83	I	96.4	Very high	94.2	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124	174.5	-61.4	156.5	0	0	0	107.5	F10 A63 E65 G73 G74	F10-I83 HydrophobicContact CE1-CB 4.5Å; F10-I83 HydrophobicContact CE1-CD1 4.29Å; F10-I83 HydrophobicContact CE1-CG2 3.68Å; F10-I83 HydrophobicContact CE2-CD1 4.39Å; F10-I83 HydrophobicContact CZ-CD1 3.87Å; F10-I83 HydrophobicContact CZ-CG2 4.25Å; A63-I83 HydrophobicContact CB-CG1 4.28Å; E65-I83 HydrophobicContact CB-CG2 3.95Å; E65-I83 HydrophobicContact CG-CG2 4.03Å; G73-I83 CarbonylContact C-O 3.59Å; G73-I83 WeakPolarHBondContact CA-O 3.13Å; G74-I83 PolarHBondContact N-O 2Å; G74-I83 PolarHBondContact O-N 3.02Å
84	L	97.3	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.6	170.4	-66	-178.9	0	0	0	109.6	A33 V62 A63 Y64 E65 V82 A86 V95 A98 L99	A33-L84 HydrophobicContact CB-CD1 4.25Å; V62-L84 HydrophobicContact CG1-CD1 4Å; V62-L84 HydrophobicContact CG1-CG 4.21Å; A63-L84 PolarHBondContact O-N 3.27Å; Y64-L84 WeakPolarHBondContact CA-O 3.44Å; Y64-L84 HydrophobicContact CD1-CB 4.16Å; Y64-L84 HydrophobicContact CD1-CD1 4.44Å; Y64-L84 HydrophobicContact CE1-CB 4.45Å; Y64-L84 HydrophobicContact CE1-CD1 3.92Å; E65-L84 PolarHBondContact N-O 2.83Å; V82-L84 HydrophobicContact CG1-CD2 4.3Å; V82-L84 HydrophobicContact CG1-CG 4.38Å; L84-A86 PolarHBondContact O-N 3.48Å; L84-A86 VanDerWaalsContact O-N 3.09Å; L84-V95 HydrophobicContact CD1-CG1 4.27Å; L84-A98 HydrophobicContact CD2-CB 3.77Å; L84-L99 HydrophobicContact CD1-CB 4.31Å; L84-L99 HydrophobicContact CD1-CD1 4.4Å; L84-L99 HydrophobicContact CD2-CB 4.23Å
85	C	96.1	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	99.2	179.1	-63.4	0	0	0	0	109.9	E65 C67 V71 C72 G73 N87 E88 N89	E65-C85 CarbonylContact O-C 3.54Å; E65-C85 VanDerWaalsContact O-CA 3.28Å; E65-C85 WeakPolarHBondContact O-CA 3.39Å; C67-C85 HydrophobicContact CB-CB 3.51Å; C67-C85 WeakPolarHBondContact CB-SG 3.5Å; C67-C85 WeakPolarHBondContact SG-CA 3.42Å; C67-C85 WeakPolarHBondContact SG-CB 3.02Å; C67-C85 CovalentContact SG-SG 2.02Å; C67-C85 PolarHBondContact SG-SG 2.99Å; V71-C85 WeakPolarHBondContact O-CB 2.96Å; V71-C85 PolarHBondContact O-SG 3.04Å; C72-C85 VanDerWaalsContact C-SG 3.56Å; C72-C85 WeakPolarHBondContact O-CB 3.42Å; C72-C85 PolarHBondContact O-N 3.33Å; G73-C85 PolarHBondContact N-SG 2.85Å; C85-N87 VanDerWaalsContact C-N 3.29Å; C85-N87 PolarHBondContact O-N 3.25Å; C85-E88 HydrophobicContact CB-CB 4.33Å; C85-E88 HydrophobicContact CB-CG 4.46Å; C85-E88 PolarHBondContact O-N 3.28Å; C85-N89 PolarHBondContact N-ND2 2.84Å; C85-N89 PolarHBondContact O-N 3.28Å; C85-N89 PolarHBondContact O-ND2 2.69Å
86	A	95.9	Very high	94.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-44.7	-173	0	0	0	0	0	111.4	Q25 R26 C29 E65 L84 E88 N89 Q90	Q25-A86 HydrophobicContact CB-CB 4.26Å; R26-A86 HydrophobicContact CG-CB 4.04Å; C29-A86 HydrophobicContact CB-CB 4.02Å; E65-A86 PolarHBondContact O-N 3Å; L84-A86 PolarHBondContact O-N 3.48Å; L84-A86 VanDerWaalsContact O-N 3.09Å; A86-E88 PolarHBondContact O-N 3.14Å; A86-N89 PolarHBondContact O-N 3.12Å; A86-Q90 PolarHBondContact O-NE2 3.03Å
87	N	93.8	Very high	94.7	Very high	34 Å²	34	45.2 Å²	45.2	18%	0.182	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27	179.2	58.1	-66.8	0	0	0	114.2	K66 C67 C85	K66-N87 WeakPolarHBondContact CA-OD1 3.22Å; K66-N87 HydrophobicContact CG-CB 4.47Å; C67-N87 PolarHBondContact N-OD1 3.47Å; C67-N87 PolarHBondContact O-ND2 3.36Å; C85-N87 VanDerWaalsContact C-N 3.29Å; C85-N87 PolarHBondContact O-N 3.25Å
88	E	93.6	Very high	95.2	Very high	36 Å²	36	42.2 Å²	42.2	17%	0.168	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-29.8	-179.9	-65.3	-57.4	153.5	0	0	112.7	K69 N70 V71 C85 A86 Q90 K94	K69-E88 WeakPolarHBondContact CA-OE1 2.89Å; N70-E88 PolarHBondContact N-OE1 2.87Å; V71-E88 WeakPolarHBondContact O-CG 3.45Å; C85-E88 HydrophobicContact CB-CB 4.33Å; C85-E88 HydrophobicContact CB-CG 4.46Å; C85-E88 PolarHBondContact O-N 3.28Å; A86-E88 PolarHBondContact O-N 3.14Å; E88-Q90 PolarHBondContact O-N 3.03Å; E88-K94 WeakPolarHBondContact O-CD 3.41Å; E88-K94 PolarHBondContact O-NZ 3.17Å; E88-K94 VanDerWaalsContact O-NZ 3.11Å
89	N	95.7	Very high	95.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.177	C	C	.	.			trans	-99.8	65.9	-172.6	-64.5	-67.3	0	0	0	113.3	C72 C85 A86 K94 V95 A98	C72-N89 PolarHBondContact O-ND2 3.28Å; C85-N89 PolarHBondContact N-ND2 2.84Å; C85-N89 PolarHBondContact O-N 3.28Å; C85-N89 PolarHBondContact O-ND2 2.69Å; A86-N89 PolarHBondContact O-N 3.12Å; N89-K94 PolarHBondContact OD1-O 3.39Å; N89-V95 HydrophobicContact CB-CG2 3.68Å; N89-V95 WeakPolarHBondContact O-CG2 3.45Å; N89-A98 VanDerWaalsContact OD1-CB 3.29Å; N89-A98 WeakPolarHBondContact OD1-CB 3.29Å
90	Q	94.2	Very high	95.9	Very high	69 Å²	69	32.1 Å²	32.1	32%	0.322	16%	0.155	S	C	.	.			trans	-95.2	6.1	-177	-67.1	-63.6	-46	0	0	114.7	N28 A86 E88	N28-Q90 PolarHBondContact ND2-OE1 3.36Å; A86-Q90 PolarHBondContact O-NE2 3.03Å; E88-Q90 PolarHBondContact O-N 3.03Å
91	T	95.7	Very high	96.3	Very high	70 Å²	70	30.2 Å²	30.2	43%	0.429	15%	0.146	S	C	.	.	S	Bend	trans	-135.8	151.9	175.9	69.5	0	0	0	0	110.6	K93 K94 V95	T91-K93 PolarHBondContact O-N 2.84Å; T91-K94 PolarHBondContact O-N 2.02Å; T91-K94 WeakPolarHBondContact OG1-CG 3.34Å; T91-K94 PolarHBondContact OG1-N 3.24Å; T91-V95 WeakPolarHBondContact O-CG2 3Å; T91-V95 PolarHBondContact O-N 3.45Å
92	E	96.1	Very high	96.4	Very high	102 Å²	102	27.6 Å²	27.6	48%	0.477	13%	0.133	S	C	.	.	H	α-helix	trans	-53.9	-42.2	179.8	-169.4	178.8	109.8	0	0	111.8	L32 V36 K94 V95 L96	L32-E92 HydrophobicContact CD2-CB 4.15Å; V36-E92 HydrophobicContact CG1-CG 3.38Å; E92-K94 PolarHBondContact O-N 3.04Å; E92-V95 PolarHBondContact O-N 2.95Å; E92-L96 VanDerWaalsContact O-CB 3.3Å; E92-L96 WeakPolarHBondContact O-CB 3.07Å; E92-L96 PolarHBondContact O-N 2.88Å
93	K	95	Very high	96.5	Very high	84 Å²	84	27.6 Å²	27.6	37%	0.365	13%	0.133	S	C	.	.	H	α-helix	trans	-63.6	-41.1	178.1	-168.3	175.5	-162.4	179.8	0	113	T91 K97 A143 D144	T91-K93 PolarHBondContact O-N 2.84Å; K93-K97 WeakPolarHBondContact O-CG 3.43Å; K93-K97 PolarHBondContact O-N 3.26Å; K93-K97 VanDerWaalsContact O-N 3.11Å; K93-A143 WeakPolarHBondContact CE-O 3.42Å; K93-A143 PolarHBondContact NZ-O 2.94Å; K93-D144 WeakPolarHBondContact CE-OD1 3.06Å; K93-D144 IonicContact NZ-OD1 2.88Å; K93-D144 PolarHBondContact NZ-OD1 3.26Å
94	K	95.8	Very high	96.6	Very high	101 Å²	101	26.7 Å²	26.7	44%	0.439	13%	0.129	S	C	.	.	H	α-helix	trans	-66.7	-46.2	177.2	-76.3	-169.4	176	-169.9	0	110.7	E88 N89 T91 E92 L96 K97 A98	E88-K94 WeakPolarHBondContact O-CD 3.41Å; E88-K94 PolarHBondContact O-NZ 3.17Å; E88-K94 VanDerWaalsContact O-NZ 3.11Å; N89-K94 PolarHBondContact OD1-O 3.39Å; T91-K94 PolarHBondContact O-N 2.02Å; T91-K94 WeakPolarHBondContact OG1-CG 3.34Å; T91-K94 PolarHBondContact OG1-N 3.24Å; E92-K94 PolarHBondContact O-N 3.04Å; K94-L96 PolarHBondContact O-N 2.95Å; K94-K97 PolarHBondContact O-N 3.11Å; K94-A98 WeakPolarHBondContact O-CB 3.4Å; K94-A98 PolarHBondContact O-N 2.96Å
95	V	97.8	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-48	175.8	171.7	0	0	0	0	111.2	L32 A33 V36 L84 N89 T91 E92 K97 A98 L99	L32-V95 HydrophobicContact CB-CB 4.31Å; L32-V95 HydrophobicContact CB-CG1 4.48Å; L32-V95 HydrophobicContact CB-CG2 3.76Å; L32-V95 HydrophobicContact CD1-CG2 4.15Å; A33-V95 HydrophobicContact CB-CG1 3.83Å; V36-V95 HydrophobicContact CG2-CG1 4.04Å; L84-V95 HydrophobicContact CD1-CG1 4.27Å; N89-V95 HydrophobicContact CB-CG2 3.68Å; N89-V95 WeakPolarHBondContact O-CG2 3.45Å; T91-V95 WeakPolarHBondContact O-CG2 3Å; T91-V95 PolarHBondContact O-N 3.45Å; E92-V95 PolarHBondContact O-N 2.95Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.05Å; V95-A98 PolarHBondContact O-N 3.14Å; V95-L99 WeakPolarHBondContact O-CB 3.08Å; V95-L99 PolarHBondContact O-N 3.3Å
96	L	97.7	Very high	96.7	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-56	-46.9	177.6	176.3	60.8	0	0	0	111.4	V36 N39 I42 E92 K94 A100 L142	V36-L96 HydrophobicContact CB-CB 4.37Å; V36-L96 HydrophobicContact CB-CD1 4.14Å; V36-L96 HydrophobicContact CG1-CB 3.92Å; N39-L96 HydrophobicContact CB-CD1 3.79Å; I42-L96 HydrophobicContact CD1-CD1 3.94Å; I42-L96 HydrophobicContact CG1-CD1 3.63Å; E92-L96 VanDerWaalsContact O-CB 3.3Å; E92-L96 WeakPolarHBondContact O-CB 3.07Å; E92-L96 PolarHBondContact O-N 2.88Å; K94-L96 PolarHBondContact O-N 2.95Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.11Å; L96-L142 HydrophobicContact CD2-CD2 4.09Å; L96-L142 HydrophobicContact CG-CD2 3.77Å
97	K	97.2	Very high	96.8	Very high	22 Å²	22	27.2 Å²	27.2	10%	0.096	13%	0.131	C	C	.	.	H	α-helix	trans	-66.4	-47.2	179.6	-76.5	-174.8	172.4	-153.5	0	112.7	K93 K94 V95 H101 L142 D144	K93-K97 WeakPolarHBondContact O-CG 3.43Å; K93-K97 PolarHBondContact O-N 3.26Å; K93-K97 VanDerWaalsContact O-N 3.11Å; K94-K97 PolarHBondContact O-N 3.11Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.05Å; K97-H101 VanDerWaalsContact O-CB 3.23Å; K97-H101 WeakPolarHBondContact O-CB 3.18Å; K97-H101 PolarHBondContact O-N 3.4Å; K97-L142 WeakPolarHBondContact CE-O 3.14Å; K97-L142 HydrophobicContact CG-CD2 3.86Å; K97-L142 PolarHBondContact NZ-O 3.38Å; K97-D144 IonicContact NZ-OD1 3.9Å; K97-D144 PolarHBondContact NZ-OD1 2.8Å; K97-D144 IonicContact NZ-OD2 3.72Å; K97-D144 PolarHBondContact NZ-OD2 2.99Å
98	A	97.6	Very high	97	Very high	6 Å²	6	25.6 Å²	25.6	5%	0.05	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-50.6	179.4	0	0	0	0	0	110.4	C72 L84 N89 K94 V95 A100 H101 E102	C72-A98 HydrophobicContact CB-CB 4.09Å; L84-A98 HydrophobicContact CD2-CB 3.77Å; N89-A98 VanDerWaalsContact OD1-CB 3.29Å; N89-A98 WeakPolarHBondContact OD1-CB 3.29Å; K94-A98 WeakPolarHBondContact O-CB 3.4Å; K94-A98 PolarHBondContact O-N 2.96Å; V95-A98 PolarHBondContact O-N 3.14Å; A98-A100 PolarHBondContact O-N 3.16Å; A98-H101 WeakPolarHBondContact O-CB 3.38Å; A98-H101 PolarHBondContact O-N 2.98Å; A98-H101 VanDerWaalsContact O-N 3.16Å; A98-E102 WeakPolarHBondContact O-CG 3.48Å; A98-E102 PolarHBondContact O-N 3.22Å
99	L	98.2	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-45.5	178.8	-178.3	60.6	0	0	0	112	V36 I42 F58 V62 V82 L84 V95 H101 E102 L103	V36-L99 HydrophobicContact CG2-CD2 3.9Å; I42-L99 HydrophobicContact CD1-CB 4.26Å; I42-L99 HydrophobicContact CD1-CD2 3.93Å; I42-L99 HydrophobicContact CD1-CG 3.89Å; I42-L99 HydrophobicContact CG1-CD2 4.37Å; I42-L99 HydrophobicContact CG2-CD2 4.22Å; F58-L99 HydrophobicContact CE1-CD2 4.09Å; V62-L99 HydrophobicContact CG2-CD1 4.23Å; V82-L99 HydrophobicContact CG1-CD1 3.99Å; L84-L99 HydrophobicContact CD1-CB 4.31Å; L84-L99 HydrophobicContact CD1-CD1 4.4Å; L84-L99 HydrophobicContact CD2-CB 4.23Å; V95-L99 WeakPolarHBondContact O-CB 3.08Å; V95-L99 PolarHBondContact O-N 3.3Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 3.16Å; L99-E102 PolarHBondContact O-N 2.97Å; L99-L103 HydrophobicContact CD1-CD1 4.09Å; L99-L103 HydrophobicContact CD1-CG 4.09Å; L99-L103 HydrophobicContact CG-CD1 3.95Å; L99-L103 HydrophobicContact CG-CG 4.36Å; L99-L103 VanDerWaalsContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 WeakPolarHBondContact O-CG 3.22Å; L99-L103 PolarHBondContact O-N 3.39Å
100	A	98.3	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-37.4	178	0	0	0	0	0	112.1	V41 I42 L45 L96 A98 V104 I133 L142	V41-A100 HydrophobicContact CG1-CB 4Å; I42-A100 HydrophobicContact CD1-CB 3.84Å; L45-A100 HydrophobicContact CD1-CB 4.2Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.11Å; A98-A100 PolarHBondContact O-N 3.16Å; A100-V104 WeakPolarHBondContact O-CG2 3.4Å; A100-V104 PolarHBondContact O-N 2.89Å; A100-V104 VanDerWaalsContact O-N 3.1Å; A100-I133 HydrophobicContact CB-CD1 3.7Å; A100-I133 HydrophobicContact CB-CG1 4.29Å; A100-I133 HydrophobicContact CB-CG2 4.15Å; A100-L142 HydrophobicContact CB-CD2 4.4Å
101	H	98	Very high	97.2	Very high	18 Å²	18	25.4 Å²	25.4	8%	0.083	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-52	175.2	-176.4	94	0	0	0	111.4	K97 A98 L99 L103 V104 H105 E126 A129 I133 H134	K97-H101 VanDerWaalsContact O-CB 3.23Å; K97-H101 WeakPolarHBondContact O-CB 3.18Å; K97-H101 PolarHBondContact O-N 3.4Å; A98-H101 WeakPolarHBondContact O-CB 3.38Å; A98-H101 PolarHBondContact O-N 2.98Å; A98-H101 VanDerWaalsContact O-N 3.16Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 3.16Å; H101-L103 VanDerWaalsContact C-N 3.31Å; H101-L103 PolarHBondContact O-N 3.12Å; H101-V104 WeakPolarHBondContact O-CB 3.41Å; H101-V104 PolarHBondContact O-N 3.38Å; H101-V104 VanDerWaalsContact O-N 3.12Å; H101-H105 AromaticContact CD2-CD2 3.96Å; H101-H105 AromaticContact CD2-NE2 3.38Å; H101-H105 PolarHBondContact CD2-NE2 3.33Å; H101-H105 AromaticContact CE1-NE2 3.94Å; H101-H105 AromaticContact NE2-NE2 3.19Å; H101-H105 PolarHBondContact NE2-NE2 3.49Å; H101-H105 VanDerWaalsContact NE2-NE2 3.19Å; H101-H105 PolarHBondContact O-N 3.45Å; H101-E126 IonicContact CE1-OE2 3.41Å; H101-E126 IonicContact NE2-OE2 3.19Å; H101-A129 VanDerWaalsContact CE1-CB 3.46Å; H101-A129 WeakPolarHBondContact CE1-CB 3.23Å; H101-A129 VanDerWaalsContact ND1-CB 3.35Å; H101-A129 WeakPolarHBondContact ND1-CB 3.39Å; H101-I133 HydrophobicContact CB-CG2 4.44Å; H101-H134 AromaticContact CE1-NE2 3.9Å; H101-H134 AromaticContact CG-NE2 3.77Å; H101-H134 AromaticContact ND1-CD2 3.53Å; H101-H134 AromaticContact ND1-NE2 3.09Å; H101-H134 PolarHBondContact ND1-NE2 2.99Å
102	E	98.1	Very high	97.2	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.047	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-32.1	179.5	-55.6	-48.2	150.3	0	0	112.9	G74 F75 V82 A98 L99 V104 H105 M106	G74-E102 VanDerWaalsContact CA-CD 3.44Å; G74-E102 WeakPolarHBondContact CA-OE2 3.42Å; G74-E102 VanDerWaalsContact N-CD 3.32Å; G74-E102 PolarHBondContact N-OE1 2.77Å; F75-E102 PolarHBondContact N-OE2 3.44Å; F75-E102 VanDerWaalsContact N-OE2 3.11Å; V82-E102 HydrophobicContact CB-CB 4.18Å; V82-E102 HydrophobicContact CG1-CB 3.45Å; V82-E102 VanDerWaalsContact CG1-CB 3.45Å; V82-E102 HydrophobicContact CG1-CG 3.87Å; V82-E102 HydrophobicContact CG2-CB 3.85Å; A98-E102 WeakPolarHBondContact O-CG 3.48Å; A98-E102 PolarHBondContact O-N 3.22Å; L99-E102 PolarHBondContact O-N 2.97Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.36Å; E102-H105 WeakPolarHBondContact O-CB 3.3Å; E102-H105 PolarHBondContact O-N 3.2Å; E102-H105 IonicContact OE2-CD2 3.7Å; E102-H105 PolarHBondContact OE2-CD2 3.48Å; E102-M106 PolarHBondContact O-N 3.05Å
103	L	98.2	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.1	-27.6	174.3	-74.3	176.7	0	0	0	112.8	I42 L45 V46 I49 F56 V82 L99 H101 M106 F107	I42-L103 HydrophobicContact CD1-CD1 3.99Å; I42-L103 HydrophobicContact CG2-CD1 4.11Å; L45-L103 HydrophobicContact CB-CB 4.03Å; L45-L103 HydrophobicContact CB-CD1 4.21Å; L45-L103 HydrophobicContact CD1-CB 3.85Å; L45-L103 HydrophobicContact CD1-CD1 4.49Å; L45-L103 HydrophobicContact CG-CB 4.4Å; V46-L103 HydrophobicContact CG2-CD1 4.16Å; I49-L103 HydrophobicContact CD1-CB 4.34Å; I49-L103 HydrophobicContact CD1-CD2 3.69Å; F56-L103 HydrophobicContact CD2-CD2 4.21Å; F56-L103 HydrophobicContact CE2-CD2 3.44Å; F56-L103 VanDerWaalsContact CE2-CD2 3.44Å; F56-L103 HydrophobicContact CZ-CD2 3.68Å; V82-L103 HydrophobicContact CG2-CD2 4.2Å; L99-L103 HydrophobicContact CD1-CD1 4.09Å; L99-L103 HydrophobicContact CD1-CG 4.09Å; L99-L103 HydrophobicContact CG-CD1 3.95Å; L99-L103 HydrophobicContact CG-CG 4.36Å; L99-L103 VanDerWaalsContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 WeakPolarHBondContact O-CG 3.22Å; L99-L103 PolarHBondContact O-N 3.39Å; H101-L103 VanDerWaalsContact C-N 3.31Å; H101-L103 PolarHBondContact O-N 3.12Å; L103-M106 PolarHBondContact O-N 3.49Å; L103-F107 VanDerWaalsContact O-CB 3.3Å; L103-F107 WeakPolarHBondContact O-CB 3.44Å; L103-F107 PolarHBondContact O-N 3.1Å
104	V	98.3	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-48	168.5	170.7	0	0	0	0	109.3	L45 A100 H101 E102 M106 F107 D108 R128 A129 L132 I133	L45-V104 HydrophobicContact CD1-CG2 4.38Å; L45-V104 HydrophobicContact CD2-CG2 3.98Å; A100-V104 WeakPolarHBondContact O-CG2 3.4Å; A100-V104 PolarHBondContact O-N 2.89Å; A100-V104 VanDerWaalsContact O-N 3.1Å; H101-V104 WeakPolarHBondContact O-CB 3.41Å; H101-V104 PolarHBondContact O-N 3.38Å; H101-V104 VanDerWaalsContact O-N 3.12Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.36Å; V104-M106 VanDerWaalsContact C-N 3.3Å; V104-M106 PolarHBondContact O-N 3.34Å; V104-F107 WeakPolarHBondContact O-CB 3.48Å; V104-F107 PolarHBondContact O-N 2.56Å; V104-F107 VanDerWaalsContact O-N 3.15Å; V104-D108 WeakPolarHBondContact O-CB 3.31Å; V104-D108 PolarHBondContact O-N 2.8Å; V104-R128 HydrophobicContact CG1-CB 4.21Å; V104-A129 HydrophobicContact CB-CB 4.15Å; V104-A129 HydrophobicContact CG1-CB 4.01Å; V104-L132 HydrophobicContact CG2-CD1 4.32Å; V104-I133 HydrophobicContact CG2-CD1 4.13Å; V104-I133 HydrophobicContact CG2-CG1 4.13Å
105	H	97.5	Very high	96.6	Very high	5 Å²	5	17.2 Å²	17.2	2%	0.023	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-43.2	176.6	-60.1	-40.4	0	0	0	112.8	F75 H101 E102 D108 S109 L116 S125 E126	F75-H105 HydrophobicContact CB-CB 3.83Å; F75-H105 HydrophobicContact CD1-CB 3.72Å; F75-H105 HydrophobicContact CG-CB 3.95Å; H101-H105 AromaticContact CD2-CD2 3.96Å; H101-H105 AromaticContact CD2-NE2 3.38Å; H101-H105 PolarHBondContact CD2-NE2 3.33Å; H101-H105 AromaticContact CE1-NE2 3.94Å; H101-H105 AromaticContact NE2-NE2 3.19Å; H101-H105 PolarHBondContact NE2-NE2 3.49Å; H101-H105 VanDerWaalsContact NE2-NE2 3.19Å; H101-H105 PolarHBondContact O-N 3.45Å; E102-H105 WeakPolarHBondContact O-CB 3.3Å; E102-H105 PolarHBondContact O-N 3.2Å; E102-H105 IonicContact OE2-CD2 3.7Å; E102-H105 PolarHBondContact OE2-CD2 3.48Å; H105-D108 PolarHBondContact O-N 2.8Å; H105-S109 PolarHBondContact O-N 3.06Å; H105-L116 HydrophobicContact CB-CD1 4.35Å; H105-S125 PolarHBondContact ND1-OG 3.3Å; H105-E126 IonicContact CE1-OE1 3.46Å; H105-E126 IonicContact CE1-OE2 2.62Å; H105-E126 IonicContact NE2-OE1 2.63Å
106	M	97.7	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-47.7	175.4	-175.4	163.6	177.4	0	0	111.9	I49 C54 F56 F75 H80 E102 L103 V104 D108 S109 C110	I49-M106 HydrophobicContact CD1-CB 4.1Å; I49-M106 HydrophobicContact CD1-CG 4.02Å; I49-M106 HydrophobicContact CD1-SD 4.33Å; I49-M106 HydrophobicContact CG1-CG 4.38Å; I49-M106 HydrophobicContact CG2-CE 3.8Å; I49-M106 HydrophobicContact CG2-CG 4.34Å; I49-M106 HydrophobicContact CG2-SD 4.44Å; C54-M106 HydrophobicContact CB-CE 4.34Å; F56-M106 HydrophobicContact CB-CE 4.45Å; F56-M106 HydrophobicContact CD2-CE 3.7Å; F56-M106 HydrophobicContact CD2-SD 3.54Å; F56-M106 VanDerWaalsContact CD2-SD 3.54Å; F56-M106 HydrophobicContact CE2-SD 3.85Å; F75-M106 HydrophobicContact CD2-CB 3.93Å; F75-M106 HydrophobicContact CE1-CB 4.42Å; F75-M106 HydrophobicContact CE2-CB 3.47Å; F75-M106 VanDerWaalsContact CE2-CB 3.47Å; F75-M106 HydrophobicContact CE2-CG 3.63Å; F75-M106 HydrophobicContact CE2-SD 4Å; F75-M106 VanDerWaalsContact CZ-CA 3.47Å; F75-M106 HydrophobicContact CZ-CB 3.76Å; F75-M106 HydrophobicContact CZ-CG 3.85Å; H80-M106 HydrophobicContact CB-CE 3.76Å; E102-M106 PolarHBondContact O-N 3.05Å; L103-M106 PolarHBondContact O-N 3.49Å; V104-M106 VanDerWaalsContact C-N 3.3Å; V104-M106 PolarHBondContact O-N 3.34Å; M106-D108 VanDerWaalsContact C-N 3.25Å; M106-D108 PolarHBondContact O-N 2.9Å; M106-S109 PolarHBondContact O-N 3.15Å; M106-C110 WeakPolarHBondContact O-CB 3.19Å; M106-C110 PolarHBondContact O-N 2.91Å; M106-C110 PolarHBondContact O-SG 2.7Å
107	F	98.1	Very high	95.6	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-56.6	-42.5	177.1	176.3	-115.8	0	0	0	111.8	A48 I49 S52 L103 V104 S109 C110 R111 E194 P195	A48-F107 HydrophobicContact CB-CD2 3.81Å; A48-F107 HydrophobicContact CB-CE2 3.48Å; A48-F107 VanDerWaalsContact CB-CE2 3.48Å; A48-F107 HydrophobicContact CB-CZ 4.14Å; I49-F107 HydrophobicContact CD1-CB 4.42Å; I49-F107 HydrophobicContact CG1-CB 3.78Å; I49-F107 HydrophobicContact CG1-CD2 4.21Å; I49-F107 HydrophobicContact CG1-CG 4.5Å; S52-F107 WeakPolarHBondContact OG-CE2 3.34Å; L103-F107 VanDerWaalsContact O-CB 3.3Å; L103-F107 WeakPolarHBondContact O-CB 3.44Å; L103-F107 PolarHBondContact O-N 3.1Å; V104-F107 WeakPolarHBondContact O-CB 3.48Å; V104-F107 PolarHBondContact O-N 2.56Å; V104-F107 VanDerWaalsContact O-N 3.15Å; F107-S109 PolarHBondContact O-N 3.46Å; F107-C110 WeakPolarHBondContact O-CB 3.42Å; F107-C110 PolarHBondContact O-N 2.83Å; F107-C110 VanDerWaalsContact O-N 3.14Å; F107-R111 HydrophobicContact CD1-CG 4.34Å; F107-R111 HydrophobicContact CE1-CG 4.01Å; F107-R111 VanDerWaalsContact CE1-NE 3.26Å; F107-R111 HydrophobicContact CE2-CB 4.14Å; F107-R111 HydrophobicContact CE2-CG 4.2Å; F107-R111 HydrophobicContact CZ-CB 4.28Å; F107-R111 HydrophobicContact CZ-CG 3.96Å; F107-R111 WeakPolarHBondContact O-CG 3.48Å; F107-R111 PolarHBondContact O-N 3.28Å; F107-E194 HydrophobicContact CE1-CB 3.97Å; F107-E194 HydrophobicContact CZ-CB 4.27Å; F107-P195 HydrophobicContact CD1-CG 4.43Å; F107-P195 HydrophobicContact CE1-CB 4.07Å; F107-P195 VanDerWaalsContact CE1-CD 3.48Å; F107-P195 HydrophobicContact CE1-CG 4.16Å; F107-P195 HydrophobicContact CE2-CB 4.27Å; F107-P195 HydrophobicContact CZ-CB 3.75Å; F107-P195 HydrophobicContact CZ-CG 4.23Å
108	D	97.9	Very high	95.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-179.2	-62.9	0.4	0	0	0	112.1	V104 H105 M106 C110 A112 G113 F114 S125 R128	V104-D108 WeakPolarHBondContact O-CB 3.31Å; V104-D108 PolarHBondContact O-N 2.8Å; H105-D108 PolarHBondContact O-N 2.8Å; M106-D108 VanDerWaalsContact C-N 3.25Å; M106-D108 PolarHBondContact O-N 2.9Å; D108-C110 VanDerWaalsContact C-N 3.31Å; D108-C110 PolarHBondContact O-N 3.19Å; D108-A112 WeakPolarHBondContact O-CA 3.49Å; D108-A112 WeakPolarHBondContact O-CB 3.34Å; D108-A112 PolarHBondContact O-N 3.35Å; D108-G113 PolarHBondContact O-N 2.62Å; D108-F114 HydrophobicContact CB-CB 4.46Å; D108-F114 HydrophobicContact CB-CD2 3.69Å; D108-F114 HydrophobicContact CB-CE2 4.21Å; D108-F114 HydrophobicContact CB-CG 4.27Å; D108-S125 WeakPolarHBondContact OD2-CA 3.4Å; D108-S125 WeakPolarHBondContact OD2-CB 3.24Å; D108-S125 PolarHBondContact OD2-OG 2.84Å; D108-R128 IonicContact OD1-CZ 3.87Å; D108-R128 IonicContact OD1-NH1 3.65Å; D108-R128 PolarHBondContact OD1-NH1 3.34Å; D108-R128 IonicContact OD1-NH2 3.42Å; D108-R128 PolarHBondContact OD1-NH2 3.21Å; D108-R128 IonicContact OD2-CZ 3.26Å; D108-R128 IonicContact OD2-NH1 2.61Å; D108-R128 PolarHBondContact OD2-NH1 2.82Å
109	S	96.5	Very high	95.3	Very high	14 Å²	14	24.6 Å²	24.6	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-42.1	173.3	-164	0	0	0	0	111.2	H105 M106 F107 G113 F114	H105-S109 PolarHBondContact O-N 3.06Å; M106-S109 PolarHBondContact O-N 3.15Å; F107-S109 PolarHBondContact O-N 3.46Å; S109-G113 WeakPolarHBondContact O-CA 3.48Å; S109-G113 PolarHBondContact O-N 3.26Å; S109-F114 PolarHBondContact OG-O 2.98Å
110	C	96.4	Very high	95.2	Very high	21 Å²	21	29 Å²	29	14%	0.142	17%	0.167	C	C	.	.	H	α-helix	trans	-70.1	-46	-178.9	-63.3	0	0	0	0	113.9	C54 M106 F107 D108	C54-C110 HydrophobicContact CB-CB 3.74Å; C54-C110 WeakPolarHBondContact CB-SG 3.46Å; C54-C110 VanDerWaalsContact SG-CA 3.54Å; C54-C110 WeakPolarHBondContact SG-CB 3.19Å; C54-C110 CovalentContact SG-SG 2Å; C54-C110 PolarHBondContact SG-SG 3.41Å; M106-C110 WeakPolarHBondContact O-CB 3.19Å; M106-C110 PolarHBondContact O-N 2.91Å; M106-C110 PolarHBondContact O-SG 2.7Å; F107-C110 WeakPolarHBondContact O-CB 3.42Å; F107-C110 PolarHBondContact O-N 2.83Å; F107-C110 VanDerWaalsContact O-N 3.14Å; D108-C110 VanDerWaalsContact C-N 3.31Å; D108-C110 PolarHBondContact O-N 3.19Å
111	R	96.3	Very high	95	Very high	68 Å²	68	30.8 Å²	30.8	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-86.8	-33.6	-173.9	73.3	153.5	176.4	131.9	27.3	113.9	S52 F107 D192 E194	S52-R111 WeakPolarHBondContact OG-CB 3.3Å; F107-R111 HydrophobicContact CD1-CG 4.34Å; F107-R111 HydrophobicContact CE1-CG 4.01Å; F107-R111 VanDerWaalsContact CE1-NE 3.26Å; F107-R111 HydrophobicContact CE2-CB 4.14Å; F107-R111 HydrophobicContact CE2-CG 4.2Å; F107-R111 HydrophobicContact CZ-CB 4.28Å; F107-R111 HydrophobicContact CZ-CG 3.96Å; F107-R111 WeakPolarHBondContact O-CG 3.48Å; F107-R111 PolarHBondContact O-N 3.28Å; R111-D192 IonicContact CZ-OD1 3.09Å; R111-D192 IonicContact CZ-OD2 3.2Å; R111-D192 IonicContact NH1-OD1 3.36Å; R111-D192 PolarHBondContact NH1-OD1 3.11Å; R111-D192 IonicContact NH1-OD2 2.56Å; R111-D192 PolarHBondContact NH1-OD2 2.83Å; R111-D192 VanDerWaalsContact NH2-CG 3.32Å; R111-D192 IonicContact NH2-OD1 3.68Å; R111-D192 PolarHBondContact NH2-OD1 3.34Å; R111-D192 IonicContact NH2-OD2 2.77Å; R111-D192 PolarHBondContact NH2-OD2 3.06Å; R111-E194 IonicContact CZ-OE2 2.91Å; R111-E194 IonicContact NE-OE2 3.59Å; R111-E194 IonicContact NH1-OE2 3.73Å; R111-E194 PolarHBondContact NH1-OE2 3.16Å
112	A	94.6	Very high	95	Very high	51 Å²	51	30 Å²	30	42%	0.421	17%	0.174	S	C	.	.	H	α-helix	trans	-116.6	-2.3	-170.9	0	0	0	0	0	112.4	D108 F114	D108-A112 WeakPolarHBondContact O-CA 3.49Å; D108-A112 WeakPolarHBondContact O-CB 3.34Å; D108-A112 PolarHBondContact O-N 3.35Å; A112-F114 HydrophobicContact CB-CD1 3.63Å; A112-F114 HydrophobicContact CB-CE1 3.57Å; A112-F114 HydrophobicContact CB-CG 4.39Å; A112-F114 HydrophobicContact CB-CZ 4.28Å; A112-F114 PolarHBondContact O-N 3.3Å
113	G	92.9	Very high	95	Very high	57 Å²	57	29.5 Å²	29.5	59%	0.588	17%	0.171	S	C	*	.			trans	67.4	22.9	179.9	0	0	0	0	0	113.3	D108 S109 N115	D108-G113 PolarHBondContact O-N 2.62Å; S109-G113 WeakPolarHBondContact O-CA 3.48Å; S109-G113 PolarHBondContact O-N 3.26Å; G113-N115 PolarHBondContact O-N 2.75Å
114	F	92.7	Very high	95	Very high	22 Å²	22	29.7 Å²	29.7	10%	0.096	17%	0.172	C	C	.	.			trans	-56.5	124.2	-178.4	-80.8	10.9	0	0	0	110.7	D108 S109 A112 D121 C124	D108-F114 HydrophobicContact CB-CB 4.46Å; D108-F114 HydrophobicContact CB-CD2 3.69Å; D108-F114 HydrophobicContact CB-CE2 4.21Å; D108-F114 HydrophobicContact CB-CG 4.27Å; S109-F114 PolarHBondContact OG-O 2.98Å; A112-F114 HydrophobicContact CB-CD1 3.63Å; A112-F114 HydrophobicContact CB-CE1 3.57Å; A112-F114 HydrophobicContact CB-CG 4.39Å; A112-F114 HydrophobicContact CB-CZ 4.28Å; A112-F114 PolarHBondContact O-N 3.3Å; F114-D121 HydrophobicContact CB-CB 3.94Å; F114-D121 HydrophobicContact CD1-CB 4.25Å; F114-D121 HydrophobicContact CD2-CB 4.28Å; F114-D121 HydrophobicContact CG-CB 3.91Å; F114-C124 HydrophobicContact CE2-CB 3.74Å; F114-C124 HydrophobicContact CZ-CB 3.98Å; F114-C124 VanDerWaalsContact CZ-SG 3.56Å
115	N	88.9	Confident	95	Very high	55 Å²	55	29.7 Å²	29.7	29%	0.294	17%	0.172	S	C	.	.			trans	-96	108.7	171.9	176.4	1.4	0	0	0	108.2	W77 G113 E117 S118 D121	W77-N115 WeakPolarHBondContact CZ2-OD1 3.28Å; G113-N115 PolarHBondContact O-N 2.75Å; N115-E117 PolarHBondContact O-N 2.85Å; N115-E117 VanDerWaalsContact OD1-CB 3.32Å; N115-E117 WeakPolarHBondContact OD1-CB 3.32Å; N115-E117 PolarHBondContact OD1-N 3.05Å; N115-S118 WeakPolarHBondContact O-CA 3.21Å; N115-S118 VanDerWaalsContact O-CB 3.24Å; N115-S118 WeakPolarHBondContact O-CB 3.42Å; N115-S118 PolarHBondContact O-N 2.7Å; N115-D121 PolarHBondContact N-OD2 3.19Å; N115-D121 WeakPolarHBondContact O-CB 2.88Å
116	L	85.8	Confident	95	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.105	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-0.1	-178.6	-58.6	-169.2	0	0	0	114.4	F75 W77 H105 L122	F75-L116 HydrophobicContact CD1-CD1 3.65Å; F75-L116 HydrophobicContact CE1-CD1 4.37Å; W77-L116 HydrophobicContact CB-CG 4.4Å; W77-L116 HydrophobicContact CG-CB 4.41Å; H105-L116 HydrophobicContact CB-CD1 4.35Å; L116-L122 HydrophobicContact CB-CD1 4.44Å; L116-L122 HydrophobicContact CD2-CD1 4.22Å
117	E	89.5	Confident	95.1	Very high	81 Å²	81	29.7 Å²	29.7	38%	0.379	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-18.7	163.8	-59.2	-171.9	141.7	0	0	112.9	R3 W77 K78 N115	R3-E117 IonicContact CZ-OE1 2.7Å; R3-E117 IonicContact NH1-OE1 3.82Å; R3-E117 PolarHBondContact NH1-OE1 3.42Å; R3-E117 IonicContact NH2-OE1 2.69Å; R3-E117 PolarHBondContact NH2-OE1 2.61Å; W77-E117 HydrophobicContact CZ2-CG 3.87Å; K78-E117 IonicContact NZ-OE1 3.38Å; K78-E117 PolarHBondContact NZ-OE1 2.98Å; N115-E117 PolarHBondContact O-N 2.85Å; N115-E117 VanDerWaalsContact OD1-CB 3.32Å; N115-E117 WeakPolarHBondContact OD1-CB 3.32Å; N115-E117 PolarHBondContact OD1-N 3.05Å
118	S	92.7	Very high	95.1	Very high	41 Å²	41	29.4 Å²	29.4	29%	0.287	17%	0.171	S	C	.	.	S	Bend	trans	-80.4	123.5	169.6	176	0	0	0	0	109.8	N115 E120 D121 L122	N115-S118 WeakPolarHBondContact O-CA 3.21Å; N115-S118 VanDerWaalsContact O-CB 3.24Å; N115-S118 WeakPolarHBondContact O-CB 3.42Å; N115-S118 PolarHBondContact O-N 2.7Å; S118-E120 PolarHBondContact O-N 3.29Å; S118-E120 PolarHBondContact OG-N 2.74Å; S118-D121 PolarHBondContact O-N 2.91Å; S118-L122 VanDerWaalsContact O-CB 3.26Å; S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 3.38Å
119	I	94.7	Very high	95.1	Very high	48 Å²	48	29.4 Å²	29.4	25%	0.246	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-29.3	178.2	-164.5	171.9	0	0	0	112.2	A123 V167 V173 L177 A181	I119-A123 WeakPolarHBondContact O-CB 3.34Å; I119-A123 PolarHBondContact O-N 3.05Å; I119-V167 HydrophobicContact CD1-CG1 4.07Å; I119-V167 HydrophobicContact CG1-CG1 3.94Å; I119-V173 HydrophobicContact CD1-CG1 4.43Å; I119-V173 HydrophobicContact CD1-CG2 4.21Å; I119-L177 HydrophobicContact CD1-CG 4.29Å; I119-A181 HydrophobicContact CD1-CB 3.92Å; I119-A181 HydrophobicContact CG1-CB 3.84Å
120	E	95.1	Very high	95.1	Very high	91 Å²	91	28.7 Å²	28.7	43%	0.425	17%	0.167	S	C	.	.	H	α-helix	trans	-72.4	-45.5	-179.7	-59.8	-167.8	159.6	0	0	111.7	S118 C124 K184	S118-E120 PolarHBondContact O-N 3.29Å; S118-E120 PolarHBondContact OG-N 2.74Å; E120-C124 WeakPolarHBondContact O-CB 3.23Å; E120-C124 PolarHBondContact O-N 3.09Å; E120-K184 IonicContact OE1-NZ 2.97Å; E120-K184 PolarHBondContact OE1-NZ 3.29Å
121	D	96.1	Very high	95	Very high	39 Å²	39	27.7 Å²	27.7	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-68.3	-42.7	177.2	-68.8	-13	0	0	0	110.5	F114 N115 S118 C124 S125	F114-D121 HydrophobicContact CB-CB 3.94Å; F114-D121 HydrophobicContact CD1-CB 4.25Å; F114-D121 HydrophobicContact CD2-CB 4.28Å; F114-D121 HydrophobicContact CG-CB 3.91Å; N115-D121 PolarHBondContact N-OD2 3.19Å; N115-D121 WeakPolarHBondContact O-CB 2.88Å; S118-D121 PolarHBondContact O-N 2.91Å; D121-C124 PolarHBondContact O-N 3.14Å; D121-S125 WeakPolarHBondContact O-CB 3.35Å; D121-S125 PolarHBondContact O-N 3.15Å
122	L	96.9	Very high	95	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-52.9	174.9	178.1	63.8	0	0	0	110.9	L116 S118 C124 S125 E126 V167 I170 T171	L116-L122 HydrophobicContact CB-CD1 4.44Å; L116-L122 HydrophobicContact CD2-CD1 4.22Å; S118-L122 VanDerWaalsContact O-CB 3.26Å; S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 3.38Å; L122-C124 VanDerWaalsContact C-N 3.26Å; L122-C124 PolarHBondContact O-N 3.38Å; L122-S125 PolarHBondContact O-N 3.27Å; L122-S125 VanDerWaalsContact O-N 3.17Å; L122-E126 HydrophobicContact CD1-CG 3.97Å; L122-E126 HydrophobicContact CG-CG 4.27Å; L122-E126 WeakPolarHBondContact O-CB 3.32Å; L122-E126 WeakPolarHBondContact O-CG 3.5Å; L122-E126 PolarHBondContact O-N 2.83Å; L122-V167 HydrophobicContact CD2-CG2 4.38Å; L122-V167 HydrophobicContact CG-CG2 4.25Å; L122-I170 HydrophobicContact CD1-CD1 3.81Å; L122-I170 HydrophobicContact CD1-CG2 4.48Å; L122-I170 HydrophobicContact CD2-CB 4.04Å; L122-I170 HydrophobicContact CD2-CD1 4.45Å; L122-I170 HydrophobicContact CD2-CG2 3.78Å; L122-T171 HydrophobicContact CD2-CG2 3.48Å; L122-T171 VanDerWaalsContact CD2-CG2 3.48Å
123	A	98	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.2	-42	179	0	0	0	0	0	111.5	I119 E126 I127 V167 A181 V182 A185	I119-A123 WeakPolarHBondContact O-CB 3.34Å; I119-A123 PolarHBondContact O-N 3.05Å; A123-E126 PolarHBondContact O-N 3.21Å; A123-I127 WeakPolarHBondContact O-CB 3.37Å; A123-I127 VanDerWaalsContact O-CD1 3.31Å; A123-I127 WeakPolarHBondContact O-CD1 3.35Å; A123-I127 VanDerWaalsContact O-CG1 3.23Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 2.83Å; A123-V167 HydrophobicContact CB-CG2 4.09Å; A123-A181 HydrophobicContact CB-CB 4.14Å; A123-V182 HydrophobicContact CB-CG2 4.26Å; A123-A185 HydrophobicContact CB-CB 4.4Å
124	C	98.3	Very high	95.2	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.02	11%	0.11	C	C	.	.	H	α-helix	trans	-63.2	-44.7	177.6	-168.2	0	0	0	0	112.8	F114 E120 D121 L122 I127 R128 A185 C189	F114-C124 HydrophobicContact CE2-CB 3.74Å; F114-C124 HydrophobicContact CZ-CB 3.98Å; F114-C124 VanDerWaalsContact CZ-SG 3.56Å; E120-C124 WeakPolarHBondContact O-CB 3.23Å; E120-C124 PolarHBondContact O-N 3.09Å; D121-C124 PolarHBondContact O-N 3.14Å; L122-C124 VanDerWaalsContact C-N 3.26Å; L122-C124 PolarHBondContact O-N 3.38Å; C124-I127 PolarHBondContact O-N 3.22Å; C124-R128 PolarHBondContact O-N 3.27Å; C124-R128 VanDerWaalsContact O-N 3.12Å; C124-A185 HydrophobicContact CB-CB 4.43Å; C124-C189 WeakPolarHBondContact CA-SG 3.45Å; C124-C189 HydrophobicContact CB-CB 4.02Å; C124-C189 WeakPolarHBondContact CB-SG 3.29Å; C124-C189 WeakPolarHBondContact SG-CB 3.33Å; C124-C189 CovalentContact SG-SG 2.02Å; C124-C189 PolarHBondContact SG-SG 3.08Å
125	S	98.2	Very high	95.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-39.6	178.5	-158.9	0	0	0	0	111.8	H105 D108 D121 L122 R128 A129	H105-S125 PolarHBondContact ND1-OG 3.3Å; D108-S125 WeakPolarHBondContact OD2-CA 3.4Å; D108-S125 WeakPolarHBondContact OD2-CB 3.24Å; D108-S125 PolarHBondContact OD2-OG 2.84Å; D121-S125 WeakPolarHBondContact O-CB 3.35Å; D121-S125 PolarHBondContact O-N 3.15Å; L122-S125 PolarHBondContact O-N 3.27Å; L122-S125 VanDerWaalsContact O-N 3.17Å; S125-R128 PolarHBondContact O-N 2.97Å; S125-A129 WeakPolarHBondContact O-CB 3.5Å; S125-A129 PolarHBondContact O-N 2.64Å
126	E	98	Very high	95.2	Very high	5 Å²	5	19.3 Å²	19.3	2%	0.023	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-39.7	175.5	-69.9	-65.9	174.5	0	0	112.6	H101 H105 L122 A123 R128 A130 A163 S166 V167 I170	H101-E126 IonicContact CE1-OE2 3.41Å; H101-E126 IonicContact NE2-OE2 3.19Å; H105-E126 IonicContact CE1-OE1 3.46Å; H105-E126 IonicContact CE1-OE2 2.62Å; H105-E126 IonicContact NE2-OE1 2.63Å; L122-E126 HydrophobicContact CD1-CG 3.97Å; L122-E126 HydrophobicContact CG-CG 4.27Å; L122-E126 WeakPolarHBondContact O-CB 3.32Å; L122-E126 WeakPolarHBondContact O-CG 3.5Å; L122-E126 PolarHBondContact O-N 2.83Å; A123-E126 PolarHBondContact O-N 3.21Å; E126-R128 VanDerWaalsContact C-N 3.3Å; E126-R128 PolarHBondContact O-N 2.89Å; E126-A130 WeakPolarHBondContact O-CB 3.39Å; E126-A130 PolarHBondContact O-N 2.88Å; E126-A163 HydrophobicContact CB-CB 3.87Å; E126-S166 WeakPolarHBondContact OE1-CB 3.29Å; E126-S166 WeakPolarHBondContact OE2-CB 3.3Å; E126-S166 PolarHBondContact OE2-OG 3.06Å; E126-V167 HydrophobicContact CG-CG2 4.4Å; E126-I170 WeakPolarHBondContact OE1-CD1 3.46Å
127	I	98.5	Very high	95.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58	-45.4	171.9	-75.4	156.8	0	0	0	110.4	A123 C124 N131 I159 A163 V182 A185 C189	A123-I127 WeakPolarHBondContact O-CB 3.37Å; A123-I127 VanDerWaalsContact O-CD1 3.31Å; A123-I127 WeakPolarHBondContact O-CD1 3.35Å; A123-I127 VanDerWaalsContact O-CG1 3.23Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 2.83Å; C124-I127 PolarHBondContact O-N 3.22Å; I127-N131 VanDerWaalsContact O-CB 3.24Å; I127-N131 WeakPolarHBondContact O-CB 3.47Å; I127-N131 PolarHBondContact O-N 3.43Å; I127-I159 HydrophobicContact CB-CG2 4.31Å; I127-I159 HydrophobicContact CG1-CG2 4.37Å; I127-I159 HydrophobicContact CG2-CG2 3.91Å; I127-A163 HydrophobicContact CG1-CB 3.94Å; I127-V182 HydrophobicContact CD1-CG1 4.2Å; I127-V182 HydrophobicContact CG1-CG1 4.19Å; I127-A185 HydrophobicContact CD1-CB 3.79Å; I127-C189 HydrophobicContact CB-CB 4.02Å; I127-C189 HydrophobicContact CD1-CB 4.23Å; I127-C189 HydrophobicContact CG2-CB 3.73Å
128	R	98.1	Very high	95.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.6	-44.5	-178.4	-76.2	178.9	60.3	-126.1	-15.4	112.2	V104 D108 C124 S125 E126 A130 N131 L132 C189 D192 E194	V104-R128 HydrophobicContact CG1-CB 4.21Å; D108-R128 IonicContact OD1-CZ 3.87Å; D108-R128 IonicContact OD1-NH1 3.65Å; D108-R128 PolarHBondContact OD1-NH1 3.34Å; D108-R128 IonicContact OD1-NH2 3.42Å; D108-R128 PolarHBondContact OD1-NH2 3.21Å; D108-R128 IonicContact OD2-CZ 3.26Å; D108-R128 IonicContact OD2-NH1 2.61Å; D108-R128 PolarHBondContact OD2-NH1 2.82Å; C124-R128 PolarHBondContact O-N 3.27Å; C124-R128 VanDerWaalsContact O-N 3.12Å; S125-R128 PolarHBondContact O-N 2.97Å; E126-R128 VanDerWaalsContact C-N 3.3Å; E126-R128 PolarHBondContact O-N 2.89Å; R128-A130 VanDerWaalsContact C-N 3.31Å; R128-A130 PolarHBondContact O-N 3.42Å; R128-N131 PolarHBondContact O-N 2.93Å; R128-L132 HydrophobicContact CB-CD1 4.45Å; R128-L132 WeakPolarHBondContact O-CB 3.38Å; R128-L132 VanDerWaalsContact O-CG 3.24Å; R128-L132 WeakPolarHBondContact O-CG 3.11Å; R128-L132 PolarHBondContact O-N 3.41Å; R128-C189 HydrophobicContact CG-CB 4.3Å; R128-C189 WeakPolarHBondContact CG-O 3.24Å; R128-D192 PolarHBondContact NE-O 3.02Å; R128-D192 IonicContact NE-OD1 3.77Å; R128-D192 IonicContact NE-OD2 3.73Å; R128-E194 PolarHBondContact NH2-O 2.94Å
129	A	98	Very high	95.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.2	-39.6	176.2	0	0	0	0	0	111.2	H101 V104 S125 I133	H101-A129 VanDerWaalsContact CE1-CB 3.46Å; H101-A129 WeakPolarHBondContact CE1-CB 3.23Å; H101-A129 VanDerWaalsContact ND1-CB 3.35Å; H101-A129 WeakPolarHBondContact ND1-CB 3.39Å; V104-A129 HydrophobicContact CB-CB 4.15Å; V104-A129 HydrophobicContact CG1-CB 4.01Å; S125-A129 WeakPolarHBondContact O-CB 3.5Å; S125-A129 PolarHBondContact O-N 2.64Å; A129-I133 VanDerWaalsContact O-CB 3.23Å; A129-I133 WeakPolarHBondContact O-CB 3.49Å; A129-I133 WeakPolarHBondContact O-CG1 3.45Å; A129-I133 PolarHBondContact O-N 3.23Å; A129-I133 VanDerWaalsContact O-N 3.15Å
130	A	97	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-63.2	-45.8	172.3	0	0	0	0	0	112.2	E126 R128 H134 C135 I159 I162	E126-A130 WeakPolarHBondContact O-CB 3.39Å; E126-A130 PolarHBondContact O-N 2.88Å; R128-A130 VanDerWaalsContact C-N 3.31Å; R128-A130 PolarHBondContact O-N 3.42Å; A130-H134 PolarHBondContact O-N 3.13Å; A130-H134 VanDerWaalsContact O-N 3.14Å; A130-C135 WeakPolarHBondContact O-CB 3.47Å; A130-C135 PolarHBondContact O-N 2.63Å; A130-I159 HydrophobicContact CB-CB 4.48Å; A130-I159 HydrophobicContact CB-CG2 4.19Å; A130-I162 HydrophobicContact CB-CB 3.86Å; A130-I162 HydrophobicContact CB-CD1 4.49Å; A130-I162 HydrophobicContact CB-CG2 3.75Å
131	N	95.2	Very high	95.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-62.3	-60.2	179.4	-173.3	22.3	0	0	0	111.3	I127 R128 I133 Q136 I159 Y190	I127-N131 VanDerWaalsContact O-CB 3.24Å; I127-N131 WeakPolarHBondContact O-CB 3.47Å; I127-N131 PolarHBondContact O-N 3.43Å; R128-N131 PolarHBondContact O-N 2.93Å; N131-I133 VanDerWaalsContact C-N 3.35Å; N131-I133 PolarHBondContact O-N 3.04Å; N131-Q136 CarbonylContact O-C 3.22Å; N131-Q136 PolarHBondContact O-N 3.23Å; N131-Q136 VanDerWaalsContact O-O 3.05Å; N131-I159 HydrophobicContact CB-CD1 3.76Å; N131-I159 HydrophobicContact CB-CG1 4.26Å; N131-Y190 PolarHBondContact ND2-O 3.05Å
132	L	95.9	Very high	95.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-71.4	-28.1	-168.7	-59.3	173.2	0	0	0	113.2	V104 R128 P137 V138 F193 F196	V104-L132 HydrophobicContact CG2-CD1 4.32Å; R128-L132 HydrophobicContact CB-CD1 4.45Å; R128-L132 WeakPolarHBondContact O-CB 3.38Å; R128-L132 VanDerWaalsContact O-CG 3.24Å; R128-L132 WeakPolarHBondContact O-CG 3.11Å; R128-L132 PolarHBondContact O-N 3.41Å; L132-P137 CarbonylContact O-C 3.56Å; L132-P137 VanDerWaalsContact O-CA 3.29Å; L132-P137 WeakPolarHBondContact O-CA 3.43Å; L132-V138 HydrophobicContact CB-CG1 3.89Å; L132-V138 HydrophobicContact CD2-CG1 3.49Å; L132-V138 VanDerWaalsContact CD2-CG1 3.49Å; L132-V138 HydrophobicContact CG-CG1 4.28Å; L132-V138 PolarHBondContact O-N 3.4Å; L132-F193 HydrophobicContact CD2-CB 4.3Å; L132-F193 HydrophobicContact CD2-CD1 3.62Å; L132-F193 HydrophobicContact CD2-CE1 4.18Å; L132-F193 HydrophobicContact CD2-CG 4.11Å; L132-F196 HydrophobicContact CD1-CD2 4.29Å; L132-F196 HydrophobicContact CD2-CD2 4.46Å
133	I	96.3	Very high	94.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-109.3	-36.1	-170.9	-50.2	-53.4	0	0	0	112.9	V41 A100 H101 V104 A129 N131 L142	V41-I133 HydrophobicContact CG1-CD1 4.41Å; A100-I133 HydrophobicContact CB-CD1 3.7Å; A100-I133 HydrophobicContact CB-CG1 4.29Å; A100-I133 HydrophobicContact CB-CG2 4.15Å; H101-I133 HydrophobicContact CB-CG2 4.44Å; V104-I133 HydrophobicContact CG2-CD1 4.13Å; V104-I133 HydrophobicContact CG2-CG1 4.13Å; A129-I133 VanDerWaalsContact O-CB 3.23Å; A129-I133 WeakPolarHBondContact O-CB 3.49Å; A129-I133 WeakPolarHBondContact O-CG1 3.45Å; A129-I133 PolarHBondContact O-N 3.23Å; A129-I133 VanDerWaalsContact O-N 3.15Å; N131-I133 VanDerWaalsContact C-N 3.35Å; N131-I133 PolarHBondContact O-N 3.04Å; I133-L142 HydrophobicContact CD1-CD1 4Å; I133-L142 HydrophobicContact CG2-CD1 4.32Å; I133-L142 HydrophobicContact CG2-CD2 4.06Å
134	H	94.3	Very high	94.2	Very high	47 Å²	47	22.9 Å²	22.9	22%	0.218	11%	0.11	C	C	.	.	I	π-helix	trans	-115.3	-47.7	-166.7	-62.1	-73.1	0	0	0	113.8	H101 A130 T147 R150 I162	H101-H134 AromaticContact CE1-NE2 3.9Å; H101-H134 AromaticContact CG-NE2 3.77Å; H101-H134 AromaticContact ND1-CD2 3.53Å; H101-H134 AromaticContact ND1-NE2 3.09Å; H101-H134 PolarHBondContact ND1-NE2 2.99Å; A130-H134 PolarHBondContact O-N 3.13Å; A130-H134 VanDerWaalsContact O-N 3.14Å; H134-T147 WeakPolarHBondContact O-CG2 3.34Å; H134-R150 PolarHBondContact O-NH1 3Å; H134-I162 HydrophobicContact CB-CD1 3.69Å
135	C	93.3	Very high	93.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	14%	0.141	C	C	.	.	I	π-helix	trans	-88	-46.7	-167.8	-66.2	0	0	0	0	112.3	A130 R150 T155 C158 I159	A130-C135 WeakPolarHBondContact O-CB 3.47Å; A130-C135 PolarHBondContact O-N 2.63Å; C135-R150 VanDerWaalsContact CA-NH1 3.26Å; C135-R150 PolarHBondContact O-NH1 3.46Å; C135-T155 HydrophobicContact CB-CG2 4.32Å; C135-C158 VanDerWaalsContact CA-SG 3.51Å; C135-C158 HydrophobicContact CB-CB 3.81Å; C135-C158 WeakPolarHBondContact CB-SG 3Å; C135-C158 WeakPolarHBondContact SG-CB 3.21Å; C135-C158 PolarHBondContact SG-O 3.46Å; C135-C158 CovalentContact SG-SG 2.05Å; C135-C158 PolarHBondContact SG-SG 3.12Å; C135-I159 HydrophobicContact CB-CD1 4.27Å; C135-I159 HydrophobicContact CB-CG1 3.48Å; C135-I159 VanDerWaalsContact CB-CG1 3.48Å; C135-I159 PolarHBondContact SG-N 2.93Å
136	Q	90.1	Very high	92.3	Very high	28 Å²	28	32 Å²	32	13%	0.131	17%	0.167	C	C	.	.	S	Bend	trans	-132.7	70.7	174	-172.2	175.8	-36	0	0	108.8	N131 V138 T155 D202	N131-Q136 CarbonylContact O-C 3.22Å; N131-Q136 PolarHBondContact O-N 3.23Å; N131-Q136 VanDerWaalsContact O-O 3.05Å; Q136-V138 PolarHBondContact O-N 2.86Å; Q136-T155 HydrophobicContact CB-CG2 4.09Å; Q136-D202 PolarHBondContact NE2-OD1 2.88Å; Q136-D202 PolarHBondContact NE2-OD2 3.02Å
137	P	91.5	Very high	91.2	Very high	17 Å²	17	32.6 Å²	32.6	11%	0.11	17%	0.171	C	C	.	.			trans	-52.6	131.3	-172.2	17.2	-28.7	0	0	0	111.8	L132 H139 L142 A143 T147 H199	L132-P137 CarbonylContact O-C 3.56Å; L132-P137 VanDerWaalsContact O-CA 3.29Å; L132-P137 WeakPolarHBondContact O-CA 3.43Å; P137-H139 PolarHBondContact O-N 3.38Å; P137-H139 VanDerWaalsContact O-N 3.16Å; P137-L142 HydrophobicContact CB-CB 3.53Å; P137-L142 HydrophobicContact CB-CD1 4.38Å; P137-A143 HydrophobicContact CG-CB 4.17Å; P137-T147 HydrophobicContact CG-CG2 4.15Å; P137-H199 PolarHBondContact O-NE2 2.85Å
138	V	91.4	Very high	89.7	Confident	21 Å²	21	38 Å²	38	13%	0.127	20%	0.204	C	C	.	.	S	Bend	trans	-63.6	-19.1	179.9	-67.5	0	0	0	0	113.2	V41 L132 Q136 L142 F196 H199	V41-V138 HydrophobicContact CG1-CG2 4.4Å; V41-V138 HydrophobicContact CG2-CG2 4.31Å; L132-V138 HydrophobicContact CB-CG1 3.89Å; L132-V138 HydrophobicContact CD2-CG1 3.49Å; L132-V138 VanDerWaalsContact CD2-CG1 3.49Å; L132-V138 HydrophobicContact CG-CG1 4.28Å; L132-V138 PolarHBondContact O-N 3.4Å; Q136-V138 PolarHBondContact O-N 2.86Å; V138-L142 HydrophobicContact CG2-CD1 4.29Å; V138-F196 HydrophobicContact CB-CB 4.29Å; V138-F196 HydrophobicContact CB-CD1 4.2Å; V138-F196 HydrophobicContact CB-CD2 4.18Å; V138-F196 HydrophobicContact CB-CG 3.96Å; V138-F196 HydrophobicContact CG1-CB 3.97Å; V138-F196 HydrophobicContact CG1-CD2 3.79Å; V138-F196 HydrophobicContact CG1-CE2 4.45Å; V138-F196 HydrophobicContact CG1-CG 3.86Å; V138-F196 HydrophobicContact CG2-CD1 3.93Å; V138-F196 HydrophobicContact CG2-CD2 3.92Å; V138-F196 HydrophobicContact CG2-CE1 3.87Å; V138-F196 HydrophobicContact CG2-CE2 3.85Å; V138-F196 HydrophobicContact CG2-CG 3.95Å; V138-F196 HydrophobicContact CG2-CZ 3.82Å; V138-H199 PolarHBondContact O-CE1 3.27Å
139	H	92.7	Very high	88.6	Confident	52 Å²	52	46.5 Å²	46.5	24%	0.241	24%	0.241	C	C	.	.	S	Bend	trans	-142.9	144.9	-178.3	-169.9	-101.3	0	0	0	110.9	V41 P137 S141 L142	V41-H139 HydrophobicContact CG2-CB 3.31Å; P137-H139 PolarHBondContact O-N 3.38Å; P137-H139 VanDerWaalsContact O-N 3.16Å; H139-S141 WeakPolarHBondContact ND1-CB 3.07Å; H139-S141 PolarHBondContact ND1-N 2.93Å; H139-S141 PolarHBondContact ND1-OG 3.2Å; H139-S141 PolarHBondContact O-N 3.45Å; H139-S141 VanDerWaalsContact O-N 3.14Å; H139-L142 WeakPolarHBondContact O-CB 3.4Å; H139-L142 PolarHBondContact O-N 3.14Å
140	W	90.7	Very high	87.6	Confident	203 Å²	203	49.7 Å²	49.7	77%	0.769	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-61.3	-25.5	-175.3	68.2	-94.5	0	0	0	113.5	L142 A143	W140-L142 PolarHBondContact O-N 2.99Å; W140-L142 VanDerWaalsContact O-N 3.17Å; W140-A143 WeakPolarHBondContact O-CB 3.4Å; W140-A143 PolarHBondContact O-N 3.47Å
141	S	93.1	Very high	86.7	Confident	19 Å²	19	57.1 Å²	57.1	13%	0.133	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-63.6	-20.1	177	63.8	0	0	0	0	113.2	N39 H139	N39-S141 WeakPolarHBondContact ND2-CB 3.48Å; N39-S141 PolarHBondContact ND2-OG 3.15Å; H139-S141 WeakPolarHBondContact ND1-CB 3.07Å; H139-S141 PolarHBondContact ND1-N 2.93Å; H139-S141 PolarHBondContact ND1-OG 3.2Å; H139-S141 PolarHBondContact O-N 3.45Å; H139-S141 VanDerWaalsContact O-N 3.14Å
142	L	93.1	Very high	85.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-92.7	-10.7	174.5	-63.5	168.2	0	0	0	112.5	V41 L96 K97 A100 I133 P137 V138 H139 W140	V41-L142 HydrophobicContact CG1-CD1 4Å; V41-L142 HydrophobicContact CG2-CD1 3.93Å; V41-L142 HydrophobicContact CG2-CG 4.42Å; L96-L142 HydrophobicContact CD2-CD2 4.09Å; L96-L142 HydrophobicContact CG-CD2 3.77Å; K97-L142 WeakPolarHBondContact CE-O 3.14Å; K97-L142 HydrophobicContact CG-CD2 3.86Å; K97-L142 PolarHBondContact NZ-O 3.38Å; A100-L142 HydrophobicContact CB-CD2 4.4Å; I133-L142 HydrophobicContact CD1-CD1 4Å; I133-L142 HydrophobicContact CG2-CD1 4.32Å; I133-L142 HydrophobicContact CG2-CD2 4.06Å; P137-L142 HydrophobicContact CB-CB 3.53Å; P137-L142 HydrophobicContact CB-CD1 4.38Å; V138-L142 HydrophobicContact CG2-CD1 4.29Å; H139-L142 WeakPolarHBondContact O-CB 3.4Å; H139-L142 PolarHBondContact O-N 3.14Å; W140-L142 PolarHBondContact O-N 2.99Å; W140-L142 VanDerWaalsContact O-N 3.17Å
143	A	90.5	Very high	84.8	Confident	25 Å²	25	71.7 Å²	71.7	21%	0.207	35%	0.347	C	S	.	.			trans	-69.1	142.6	-176.3	0	0	0	0	0	112.3	K93 P137 W140 T147	K93-A143 WeakPolarHBondContact CE-O 3.42Å; K93-A143 PolarHBondContact NZ-O 2.94Å; P137-A143 HydrophobicContact CG-CB 4.17Å; W140-A143 WeakPolarHBondContact O-CB 3.4Å; W140-A143 PolarHBondContact O-N 3.47Å; A143-T147 WeakPolarHBondContact CA-OG1 3.09Å; A143-T147 WeakPolarHBondContact CB-OG1 3.37Å
144	D	84.5	Confident	84.4	Confident	59 Å²	59	75.1 Å²	75.1	32%	0.316	37%	0.365	S	S	.	.			trans	-112.5	163.2	167	-66.9	-36.3	0	0	0	109.2	K93 K97 V146 T147	K93-D144 WeakPolarHBondContact CE-OD1 3.06Å; K93-D144 IonicContact NZ-OD1 2.88Å; K93-D144 PolarHBondContact NZ-OD1 3.26Å; K97-D144 IonicContact NZ-OD1 3.9Å; K97-D144 PolarHBondContact NZ-OD1 2.8Å; K97-D144 IonicContact NZ-OD2 3.72Å; K97-D144 PolarHBondContact NZ-OD2 2.99Å; D144-V146 PolarHBondContact O-N 3.13Å; D144-T147 HydrophobicContact CB-CG2 4.15Å; D144-T147 PolarHBondContact N-OG1 3.34Å; D144-T147 PolarHBondContact O-N 2.05Å; D144-T147 PolarHBondContact O-OG1 3.5Å
145	P	78	Confident	84.3	Confident	104 Å²	104	73.1 Å²	73.1	68%	0.675	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-24.3	176.9	-28	35.8	0	0	0	114.8	T148	P145-T148 PolarHBondContact O-OG1 3.34Å
146	V	77.7	Confident	84.3	Confident	90 Å²	90	74.2 Å²	74.2	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-37.2	175.6	-179.3	0	0	0	0	111.7	D144 T148 K149	D144-V146 PolarHBondContact O-N 3.13Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 3.45Å; V146-K149 PolarHBondContact O-N 3.29Å
147	T	75.2	Confident	84.5	Confident	19 Å²	19	79.1 Å²	79.1	12%	0.117	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-66.2	-34.7	-174.4	65.9	0	0	0	0	111.4	H134 P137 A143 D144 K149	H134-T147 WeakPolarHBondContact O-CG2 3.34Å; P137-T147 HydrophobicContact CG-CG2 4.15Å; A143-T147 WeakPolarHBondContact CA-OG1 3.09Å; A143-T147 WeakPolarHBondContact CB-OG1 3.37Å; D144-T147 HydrophobicContact CB-CG2 4.15Å; D144-T147 PolarHBondContact N-OG1 3.34Å; D144-T147 PolarHBondContact O-N 2.05Å; D144-T147 PolarHBondContact O-OG1 3.5Å; T147-K149 PolarHBondContact O-N 2.79Å
148	T	67.5	Low	84.7	Confident	114 Å²	114	78.6 Å²	78.6	70%	0.699	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-69	-9.9	179.9	25.3	0	0	0	0	114.7	P145 V146	P145-T148 PolarHBondContact O-OG1 3.34Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 3.45Å
149	K	73.9	Confident	84.9	Confident	178 Å²	178	77.6 Å²	77.6	77%	0.774	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-114.2	-1.7	-177.3	-63.7	-175.4	-179.5	-178.8	0	114.4	V146 T147	V146-K149 PolarHBondContact O-N 3.29Å; T147-K149 PolarHBondContact O-N 2.79Å
150	R	78.7	Confident	85.2	Confident	66 Å²	66	77.6 Å²	77.6	25%	0.249	38%	0.378	C	S	.	.			trans	-72.5	139.7	-173.7	-74.2	-174.7	-176.2	131.6	-0.3	112.1	H134 C135 D154	H134-R150 PolarHBondContact O-NH1 3Å; C135-R150 VanDerWaalsContact CA-NH1 3.26Å; C135-R150 PolarHBondContact O-NH1 3.46Å; R150-D154 HydrophobicContact CB-CB 4.28Å; R150-D154 HydrophobicContact CG-CB 4.31Å
151	K	78.1	Confident	85.5	Confident	157 Å²	157	75.6 Å²	75.6	68%	0.683	37%	0.37	S	S	*	.			trans	-92.1	165.4	165.3	-63.1	176.4	179.3	176.9	0	110.1	R153 D154 T155	K151-R153 VanDerWaalsContact C-N 3.29Å; K151-R153 PolarHBondContact O-N 2.62Å; K151-D154 WeakPolarHBondContact CB-OD2 3.41Å; K151-D154 PolarHBondContact N-OD2 2.95Å; K151-D154 WeakPolarHBondContact O-CA 3.27Å; K151-D154 WeakPolarHBondContact O-CB 3.22Å; K151-D154 PolarHBondContact O-N 2.95Å; K151-T155 PolarHBondContact O-N 2.86Å; K151-T155 PolarHBondContact O-OG1 3.43Å
152	N	76.7	Confident	85.6	Confident	82 Å²	82	76.6 Å²	76.6	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-53.8	-40.8	-178.3	-66.7	-4.9	0	0	0	114	T155 A156	N152-T155 WeakPolarHBondContact O-CB 3.15Å; N152-T155 PolarHBondContact O-N 2.86Å; N152-A156 PolarHBondContact O-N 2.95Å
153	R	73.8	Confident	85.8	Confident	223 Å²	223	76.6 Å²	76.6	84%	0.842	37%	0.374	S	S	*	.	H	α-helix	trans	-63.5	-43	175.9	-77.1	-167.6	-88.9	-169.9	-6.4	111.9	K151 T155 A156 E157	K151-R153 VanDerWaalsContact C-N 3.29Å; K151-R153 PolarHBondContact O-N 2.62Å; R153-T155 VanDerWaalsContact C-N 3.28Å; R153-T155 PolarHBondContact O-N 3.41Å; R153-A156 PolarHBondContact O-N 3.45Å; R153-E157 PolarHBondContact O-N 2.89Å; R153-E157 VanDerWaalsContact O-N 3.08Å
154	D	88.6	Confident	86.2	Confident	72 Å²	72	75.8 Å²	75.8	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-34.2	177.1	-44.6	-26.2	0	0	0	111.3	R150 K151 C158	R150-D154 HydrophobicContact CB-CB 4.28Å; R150-D154 HydrophobicContact CG-CB 4.31Å; K151-D154 WeakPolarHBondContact CB-OD2 3.41Å; K151-D154 PolarHBondContact N-OD2 2.95Å; K151-D154 WeakPolarHBondContact O-CA 3.27Å; K151-D154 WeakPolarHBondContact O-CB 3.22Å; K151-D154 PolarHBondContact O-N 2.95Å; D154-C158 VanDerWaalsContact O-CB 3.24Å; D154-C158 WeakPolarHBondContact O-CB 3.17Å; D154-C158 PolarHBondContact O-N 3.25Å
155	T	90.4	Very high	86.7	Confident	6 Å²	6	78 Å²	78	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-66	-47.4	174.9	-59.4	0	0	0	0	111.1	C135 Q136 K151 N152 R153 E157 C158 I159	C135-T155 HydrophobicContact CB-CG2 4.32Å; Q136-T155 HydrophobicContact CB-CG2 4.09Å; K151-T155 PolarHBondContact O-N 2.86Å; K151-T155 PolarHBondContact O-OG1 3.43Å; N152-T155 WeakPolarHBondContact O-CB 3.15Å; N152-T155 PolarHBondContact O-N 2.86Å; R153-T155 VanDerWaalsContact C-N 3.28Å; R153-T155 PolarHBondContact O-N 3.41Å; T155-E157 VanDerWaalsContact C-N 3.34Å; T155-E157 PolarHBondContact O-N 2.93Å; T155-C158 WeakPolarHBondContact O-CB 3.42Å; T155-C158 PolarHBondContact O-N 3.47Å; T155-I159 HydrophobicContact CG2-CD1 3.82Å; T155-I159 HydrophobicContact CG2-CG1 4.43Å; T155-I159 VanDerWaalsContact O-CG1 3.29Å; T155-I159 WeakPolarHBondContact O-CG1 2.98Å; T155-I159 PolarHBondContact O-N 2.9Å
156	A	94.3	Very high	87.5	Confident	24 Å²	24	73.8 Å²	73.8	20%	0.198	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-43.2	178.8	0	0	0	0	0	112.1	N152 R153 I159 K160 Y186	N152-A156 PolarHBondContact O-N 2.95Å; R153-A156 PolarHBondContact O-N 3.45Å; A156-I159 PolarHBondContact O-N 3.37Å; A156-K160 WeakPolarHBondContact O-CB 3.24Å; A156-K160 VanDerWaalsContact O-CG 3.29Å; A156-K160 WeakPolarHBondContact O-CG 3.26Å; A156-K160 PolarHBondContact O-N 3.17Å; A156-Y186 VanDerWaalsContact CA-OH 3.24Å; A156-Y186 WeakPolarHBondContact CA-OH 3.38Å; A156-Y186 VanDerWaalsContact CB-OH 3.22Å; A156-Y186 WeakPolarHBondContact CB-OH 3.24Å
157	E	94.8	Very high	88.4	Confident	131 Å²	131	69.5 Å²	69.5	61%	0.612	32%	0.322	S	S	*	.	H	α-helix	trans	-63.5	-43.1	175	-173.3	179.9	174.5	0	0	111.8	R153 T155 I159 K160 R161	R153-E157 PolarHBondContact O-N 2.89Å; R153-E157 VanDerWaalsContact O-N 3.08Å; T155-E157 VanDerWaalsContact C-N 3.34Å; T155-E157 PolarHBondContact O-N 2.93Å; E157-I159 VanDerWaalsContact C-N 3.35Å; E157-I159 PolarHBondContact O-N 3.36Å; E157-K160 PolarHBondContact O-N 2.94Å; E157-R161 VanDerWaalsContact O-CB 3.23Å; E157-R161 WeakPolarHBondContact O-CB 3.31Å; E157-R161 PolarHBondContact O-N 3.29Å
158	C	94.9	Very high	89.3	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-55.9	-49	174.8	175.5	0	0	0	0	111.7	C135 D154 T155 R161 I162	C135-C158 VanDerWaalsContact CA-SG 3.51Å; C135-C158 HydrophobicContact CB-CB 3.81Å; C135-C158 WeakPolarHBondContact CB-SG 3Å; C135-C158 WeakPolarHBondContact SG-CB 3.21Å; C135-C158 PolarHBondContact SG-O 3.46Å; C135-C158 CovalentContact SG-SG 2.05Å; C135-C158 PolarHBondContact SG-SG 3.12Å; D154-C158 VanDerWaalsContact O-CB 3.24Å; D154-C158 WeakPolarHBondContact O-CB 3.17Å; D154-C158 PolarHBondContact O-N 3.25Å; T155-C158 WeakPolarHBondContact O-CB 3.42Å; T155-C158 PolarHBondContact O-N 3.47Å; C158-R161 PolarHBondContact O-N 3.05Å; C158-I162 WeakPolarHBondContact O-CG1 3.48Å; C158-I162 PolarHBondContact O-N 3.22Å; C158-I162 VanDerWaalsContact O-N 3.07Å
159	I	96.4	Very high	90.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-51.3	-176.8	-68.5	168.6	0	0	0	110	I127 A130 N131 C135 T155 A156 E157 R161 I162 A163 Y186 Y190	I127-I159 HydrophobicContact CB-CG2 4.31Å; I127-I159 HydrophobicContact CG1-CG2 4.37Å; I127-I159 HydrophobicContact CG2-CG2 3.91Å; A130-I159 HydrophobicContact CB-CB 4.48Å; A130-I159 HydrophobicContact CB-CG2 4.19Å; N131-I159 HydrophobicContact CB-CD1 3.76Å; N131-I159 HydrophobicContact CB-CG1 4.26Å; C135-I159 HydrophobicContact CB-CD1 4.27Å; C135-I159 HydrophobicContact CB-CG1 3.48Å; C135-I159 VanDerWaalsContact CB-CG1 3.48Å; C135-I159 PolarHBondContact SG-N 2.93Å; T155-I159 HydrophobicContact CG2-CD1 3.82Å; T155-I159 HydrophobicContact CG2-CG1 4.43Å; T155-I159 VanDerWaalsContact O-CG1 3.29Å; T155-I159 WeakPolarHBondContact O-CG1 2.98Å; T155-I159 PolarHBondContact O-N 2.9Å; A156-I159 PolarHBondContact O-N 3.37Å; E157-I159 VanDerWaalsContact C-N 3.35Å; E157-I159 PolarHBondContact O-N 3.36Å; I159-R161 VanDerWaalsContact C-N 3.3Å; I159-R161 PolarHBondContact O-N 3.12Å; I159-I162 PolarHBondContact O-N 3.32Å; I159-A163 WeakPolarHBondContact O-CB 3.46Å; I159-A163 PolarHBondContact O-N 3.28Å; I159-Y186 HydrophobicContact CB-CE2 4.17Å; I159-Y186 HydrophobicContact CG2-CD2 4.42Å; I159-Y186 HydrophobicContact CG2-CE2 3.79Å; I159-Y190 HydrophobicContact CD1-CD2 3.61Å; I159-Y190 HydrophobicContact CD1-CE2 3.69Å
160	K	97.8	Very high	91.2	Very high	52 Å²	52	65.8 Å²	65.8	23%	0.226	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-43	-179.5	-70.9	175.1	172.2	-164.3	0	111.4	A156 E157 A163 T164 V182 E183 Y186	A156-K160 WeakPolarHBondContact O-CB 3.24Å; A156-K160 VanDerWaalsContact O-CG 3.29Å; A156-K160 WeakPolarHBondContact O-CG 3.26Å; A156-K160 PolarHBondContact O-N 3.17Å; E157-K160 PolarHBondContact O-N 2.94Å; K160-A163 PolarHBondContact O-N 3.26Å; K160-T164 VanDerWaalsContact O-CB 3.24Å; K160-T164 WeakPolarHBondContact O-CB 3.06Å; K160-T164 PolarHBondContact O-N 2.91Å; K160-T164 PolarHBondContact O-OG1 3.28Å; K160-V182 HydrophobicContact CB-CG1 4.28Å; K160-V182 HydrophobicContact CG-CG1 4.07Å; K160-E183 WeakPolarHBondContact CD-OE1 3.44Å; K160-E183 VanDerWaalsContact CE-OE1 3.24Å; K160-E183 WeakPolarHBondContact CE-OE1 3.04Å; K160-E183 WeakPolarHBondContact CE-OE2 3.41Å; K160-E183 IonicContact NZ-OE1 2.68Å; K160-E183 PolarHBondContact NZ-OE1 3.34Å; K160-E183 IonicContact NZ-OE2 2.66Å; K160-E183 PolarHBondContact NZ-OE2 3.29Å; K160-Y186 HydrophobicContact CD-CD2 4.37Å; K160-Y186 HydrophobicContact CD-CE2 4.38Å; K160-Y186 HydrophobicContact CG-CD2 3.77Å; K160-Y186 HydrophobicContact CG-CE2 3.79Å
161	R	97	Very high	91.8	Very high	161 Å²	161	64.2 Å²	64.2	61%	0.608	29%	0.294	S	S	*	.	H	α-helix	trans	-61.2	-48	177.8	-175.9	-177.8	68.5	-171.7	2	112.5	E157 C158 I159 H165	E157-R161 VanDerWaalsContact O-CB 3.23Å; E157-R161 WeakPolarHBondContact O-CB 3.31Å; E157-R161 PolarHBondContact O-N 3.29Å; C158-R161 PolarHBondContact O-N 3.05Å; I159-R161 VanDerWaalsContact C-N 3.3Å; I159-R161 PolarHBondContact O-N 3.12Å; R161-H165 WeakPolarHBondContact O-CB 3.33Å; R161-H165 PolarHBondContact O-N 3.37Å; R161-H165 VanDerWaalsContact O-N 3.12Å
162	I	96.1	Very high	92.5	Very high	40 Å²	40	58.9 Å²	58.9	21%	0.205	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-49.2	179.7	-67.2	176.9	0	0	0	109.8	A130 H134 C158 I159 T164 H165 S166	A130-I162 HydrophobicContact CB-CB 3.86Å; A130-I162 HydrophobicContact CB-CD1 4.49Å; A130-I162 HydrophobicContact CB-CG2 3.75Å; H134-I162 HydrophobicContact CB-CD1 3.69Å; C158-I162 WeakPolarHBondContact O-CG1 3.48Å; C158-I162 PolarHBondContact O-N 3.22Å; C158-I162 VanDerWaalsContact O-N 3.07Å; I159-I162 PolarHBondContact O-N 3.32Å; I162-T164 PolarHBondContact O-N 2.83Å; I162-H165 WeakPolarHBondContact O-CB 3.23Å; I162-H165 PolarHBondContact O-N 3.39Å; I162-H165 VanDerWaalsContact O-N 3.13Å; I162-S166 PolarHBondContact O-N 3.19Å; I162-S166 PolarHBondContact O-OG 2.88Å
163	A	97.6	Very high	93.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-44	-177.3	0	0	0	0	0	112.6	E126 I127 I159 K160 H165 S166 V167 V182	E126-A163 HydrophobicContact CB-CB 3.87Å; I127-A163 HydrophobicContact CG1-CB 3.94Å; I159-A163 WeakPolarHBondContact O-CB 3.46Å; I159-A163 PolarHBondContact O-N 3.28Å; K160-A163 PolarHBondContact O-N 3.26Å; A163-H165 VanDerWaalsContact C-N 3.29Å; A163-H165 PolarHBondContact O-N 3.29Å; A163-S166 PolarHBondContact O-N 2.02Å; A163-V167 WeakPolarHBondContact O-CB 3.39Å; A163-V167 VanDerWaalsContact O-CG2 3.27Å; A163-V167 WeakPolarHBondContact O-CG2 3.24Å; A163-V167 PolarHBondContact O-N 3.36Å; A163-V182 HydrophobicContact CB-CG1 4.19Å; A163-V182 HydrophobicContact CB-CG2 3.84Å
164	T	97.8	Very high	94.3	Very high	9 Å²	9	51 Å²	51	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-41.3	174.8	-65.8	0	0	0	0	110.9	K160 I162 R168 A178 K179	K160-T164 VanDerWaalsContact O-CB 3.24Å; K160-T164 WeakPolarHBondContact O-CB 3.06Å; K160-T164 PolarHBondContact O-N 2.91Å; K160-T164 PolarHBondContact O-OG1 3.28Å; I162-T164 PolarHBondContact O-N 2.83Å; T164-R168 VanDerWaalsContact O-CG 3.23Å; T164-R168 WeakPolarHBondContact O-CG 3.23Å; T164-R168 PolarHBondContact O-N 3.12Å; T164-R168 VanDerWaalsContact O-N 3.08Å; T164-A178 HydrophobicContact CG2-CB 3.94Å; T164-K179 HydrophobicContact CG2-CG 3.71Å
165	H	95.5	Very high	94.6	Very high	105 Å²	105	49.9 Å²	49.9	49%	0.486	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-48.8	178.1	-178.6	67.7	0	0	0	112	R161 I162 A163 R168 L169	R161-H165 WeakPolarHBondContact O-CB 3.33Å; R161-H165 PolarHBondContact O-N 3.37Å; R161-H165 VanDerWaalsContact O-N 3.12Å; I162-H165 WeakPolarHBondContact O-CB 3.23Å; I162-H165 PolarHBondContact O-N 3.39Å; I162-H165 VanDerWaalsContact O-N 3.13Å; A163-H165 VanDerWaalsContact C-N 3.29Å; A163-H165 PolarHBondContact O-N 3.29Å; H165-R168 PolarHBondContact O-N 3.39Å; H165-L169 WeakPolarHBondContact O-CB 3.39Å; H165-L169 PolarHBondContact O-N 3.49Å
166	S	95	Very high	94.9	Very high	16 Å²	16	54 Å²	54	11%	0.112	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-45.2	178.8	-53.7	0	0	0	0	112.3	E126 I162 A163 R168 L169 I170	E126-S166 WeakPolarHBondContact OE1-CB 3.29Å; E126-S166 WeakPolarHBondContact OE2-CB 3.3Å; E126-S166 PolarHBondContact OE2-OG 3.06Å; I162-S166 PolarHBondContact O-N 3.19Å; I162-S166 PolarHBondContact O-OG 2.88Å; A163-S166 PolarHBondContact O-N 2.02Å; S166-R168 VanDerWaalsContact C-N 3.31Å; S166-R168 PolarHBondContact O-N 3.16Å; S166-L169 PolarHBondContact O-N 3.07Å; S166-L169 VanDerWaalsContact O-N 3.14Å; S166-I170 WeakPolarHBondContact O-CB 3.23Å; S166-I170 WeakPolarHBondContact O-CG1 3.38Å; S166-I170 PolarHBondContact O-N 3.28Å
167	V	95.9	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.8	-46	177.8	169.6	0	0	0	0	110.6	I119 L122 A123 E126 A163 T171 V173 A178 V182	I119-V167 HydrophobicContact CD1-CG1 4.07Å; I119-V167 HydrophobicContact CG1-CG1 3.94Å; L122-V167 HydrophobicContact CD2-CG2 4.38Å; L122-V167 HydrophobicContact CG-CG2 4.25Å; A123-V167 HydrophobicContact CB-CG2 4.09Å; E126-V167 HydrophobicContact CG-CG2 4.4Å; A163-V167 WeakPolarHBondContact O-CB 3.39Å; A163-V167 VanDerWaalsContact O-CG2 3.27Å; A163-V167 WeakPolarHBondContact O-CG2 3.24Å; A163-V167 PolarHBondContact O-N 3.36Å; V167-T171 HydrophobicContact CG1-CG2 4.38Å; V167-T171 WeakPolarHBondContact O-CB 3.16Å; V167-T171 WeakPolarHBondContact O-CG2 3.43Å; V167-T171 PolarHBondContact O-N 2.93Å; V167-T171 PolarHBondContact O-OG1 3.08Å; V167-V173 HydrophobicContact CG1-CG2 4.3Å; V167-A178 HydrophobicContact CB-CB 4.24Å; V167-A178 HydrophobicContact CG1-CB 3.83Å; V167-V182 HydrophobicContact CG2-CG2 4.33Å
168	R	94.4	Very high	95.2	Very high	107 Å²	107	50.3 Å²	50.3	40%	0.404	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-46	176.8	-70.2	173.3	67.3	-164.1	-12.7	112	T164 H165 S166 I170 G172 D175 A178	T164-R168 VanDerWaalsContact O-CG 3.23Å; T164-R168 WeakPolarHBondContact O-CG 3.23Å; T164-R168 PolarHBondContact O-N 3.12Å; T164-R168 VanDerWaalsContact O-N 3.08Å; H165-R168 PolarHBondContact O-N 3.39Å; S166-R168 VanDerWaalsContact C-N 3.31Å; S166-R168 PolarHBondContact O-N 3.16Å; R168-I170 VanDerWaalsContact C-N 3.33Å; R168-I170 PolarHBondContact O-N 3.46Å; R168-G172 VanDerWaalsContact O-CA 3.29Å; R168-G172 WeakPolarHBondContact O-CA 3.42Å; R168-G172 PolarHBondContact O-N 2.97Å; R168-D175 VanDerWaalsContact CD-OD1 3.3Å; R168-D175 WeakPolarHBondContact CD-OD1 3.24Å; R168-D175 IonicContact CZ-OD1 3.48Å; R168-D175 IonicContact NE-OD1 3.61Å; R168-D175 IonicContact NH1-OD1 3.67Å; R168-D175 PolarHBondContact NH1-OD1 2.89Å; R168-A178 HydrophobicContact CG-CB 3.39Å
169	L	91.1	Very high	95.3	Very high	59 Å²	59	55.1 Å²	55.1	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-43.5	-178	-177	67.7	0	0	0	111.5	L9 V71 H165 S166	L9-L169 HydrophobicContact CD2-CD1 4.12Å; L9-L169 HydrophobicContact CD2-CD2 4.42Å; L9-L169 HydrophobicContact CD2-CG 4.24Å; V71-L169 HydrophobicContact CG2-CD2 4.11Å; H165-L169 WeakPolarHBondContact O-CB 3.39Å; H165-L169 PolarHBondContact O-N 3.49Å; S166-L169 PolarHBondContact O-N 3.07Å; S166-L169 VanDerWaalsContact O-N 3.14Å
170	I	91	Very high	95.4	Very high	67 Å²	67	60.6 Å²	60.6	34%	0.344	31%	0.305	S	S	.	.	H	α-helix	trans	-78.6	-43.6	-175.1	-67.2	166.5	0	0	0	111.5	L122 E126 S166 R168	L122-I170 HydrophobicContact CD1-CD1 3.81Å; L122-I170 HydrophobicContact CD1-CG2 4.48Å; L122-I170 HydrophobicContact CD2-CB 4.04Å; L122-I170 HydrophobicContact CD2-CD1 4.45Å; L122-I170 HydrophobicContact CD2-CG2 3.78Å; E126-I170 WeakPolarHBondContact OE1-CD1 3.46Å; S166-I170 WeakPolarHBondContact O-CB 3.23Å; S166-I170 WeakPolarHBondContact O-CG1 3.38Å; S166-I170 PolarHBondContact O-N 3.28Å; R168-I170 VanDerWaalsContact C-N 3.33Å; R168-I170 PolarHBondContact O-N 3.46Å
171	T	91.4	Very high	95.4	Very high	33 Å²	33	58.8 Å²	58.8	20%	0.202	30%	0.3	C	S	.	.	H	α-helix	trans	-92.2	-24.5	-172.1	66.2	0	0	0	0	113.8	L122 V167 V173	L122-T171 HydrophobicContact CD2-CG2 3.48Å; L122-T171 VanDerWaalsContact CD2-CG2 3.48Å; V167-T171 HydrophobicContact CG1-CG2 4.38Å; V167-T171 WeakPolarHBondContact O-CB 3.16Å; V167-T171 WeakPolarHBondContact O-CG2 3.43Å; V167-T171 PolarHBondContact O-N 2.93Å; V167-T171 PolarHBondContact O-OG1 3.08Å; T171-V173 PolarHBondContact O-N 3.37Å; T171-V173 WeakPolarHBondContact OG1-CG1 3.48Å; T171-V173 WeakPolarHBondContact OG1-CG2 3.31Å; T171-V173 PolarHBondContact OG1-N 2.88Å
172	G	91.4	Very high	95.4	Very high	45 Å²	45	51.1 Å²	51.1	46%	0.464	27%	0.271	S	S	.	.			trans	72.5	10.3	-171.9	0	0	0	0	0	114.5	R168	R168-G172 VanDerWaalsContact O-CA 3.29Å; R168-G172 WeakPolarHBondContact O-CA 3.42Å; R168-G172 PolarHBondContact O-N 2.97Å
173	V	93.9	Very high	95.5	Very high	39 Å²	39	53.9 Å²	53.9	24%	0.236	28%	0.283	C	S	.	.			trans	-70.3	159.5	173.9	-56.9	0	0	0	0	111.3	I119 V167 T171 L177 A178	I119-V173 HydrophobicContact CD1-CG1 4.43Å; I119-V173 HydrophobicContact CD1-CG2 4.21Å; V167-V173 HydrophobicContact CG1-CG2 4.3Å; T171-V173 PolarHBondContact O-N 3.37Å; T171-V173 WeakPolarHBondContact OG1-CG1 3.48Å; T171-V173 WeakPolarHBondContact OG1-CG2 3.31Å; T171-V173 PolarHBondContact OG1-N 2.88Å; V173-L177 HydrophobicContact CB-CB 4.37Å; V173-L177 HydrophobicContact CB-CD2 4.02Å; V173-L177 HydrophobicContact CB-CG 4.48Å; V173-L177 HydrophobicContact CG1-CD2 3.89Å; V173-L177 HydrophobicContact CG2-CB 4.4Å; V173-A178 HydrophobicContact CG2-CB 3.95Å
174	D	94.9	Very high	95.5	Very high	100 Å²	100	61.3 Å²	61.3	54%	0.535	32%	0.315	S	S	.	.			trans	-68.9	169.2	175.4	67.1	42.8	0	0	0	112.5	V176 L177 A178	D174-V176 VanDerWaalsContact C-N 3.25Å; D174-V176 PolarHBondContact O-N 2.93Å; D174-V176 WeakPolarHBondContact OD1-CB 3.35Å; D174-V176 PolarHBondContact OD1-N 3.5Å; D174-L177 PolarHBondContact OD1-N 3.44Å; D174-A178 WeakPolarHBondContact O-CB 3.45Å; D174-A178 PolarHBondContact O-N 3.25Å; D174-A178 VanDerWaalsContact O-N 3.14Å
175	D	95.2	Very high	95.5	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-66.5	-27.7	-176.2	-167.4	76.5	0	0	0	113.3	R168 K179	R168-D175 VanDerWaalsContact CD-OD1 3.3Å; R168-D175 WeakPolarHBondContact CD-OD1 3.24Å; R168-D175 IonicContact CZ-OD1 3.48Å; R168-D175 IonicContact NE-OD1 3.61Å; R168-D175 IonicContact NH1-OD1 3.67Å; R168-D175 PolarHBondContact NH1-OD1 2.89Å; D175-K179 WeakPolarHBondContact O-CB 3.24Å; D175-K179 VanDerWaalsContact O-CG 3.23Å; D175-K179 WeakPolarHBondContact O-CG 3.22Å; D175-K179 PolarHBondContact O-N 3.31Å; D175-K179 WeakPolarHBondContact OD2-CE 3.29Å; D175-K179 IonicContact OD2-NZ 2.65Å; D175-K179 PolarHBondContact OD2-NZ 3.38Å
176	V	97.2	Very high	95.6	Very high	91 Å²	91	57.5 Å²	57.5	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-71	-53	-179.3	179	0	0	0	0	109.2	D174 A178 K179 E180	D174-V176 VanDerWaalsContact C-N 3.25Å; D174-V176 PolarHBondContact O-N 2.93Å; D174-V176 WeakPolarHBondContact OD1-CB 3.35Å; D174-V176 PolarHBondContact OD1-N 3.5Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 2.92Å; V176-K179 PolarHBondContact O-N 2.97Å; V176-K179 VanDerWaalsContact O-N 3.17Å; V176-E180 WeakPolarHBondContact O-CG 3.29Å; V176-E180 PolarHBondContact O-N 2.94Å
177	L	96.6	Very high	95.5	Very high	78 Å²	78	62.3 Å²	62.3	41%	0.408	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-37.3	-179.6	-173.8	60.7	0	0	0	112	I119 V173 D174 E180 A181	I119-L177 HydrophobicContact CD1-CG 4.29Å; V173-L177 HydrophobicContact CB-CB 4.37Å; V173-L177 HydrophobicContact CB-CD2 4.02Å; V173-L177 HydrophobicContact CB-CG 4.48Å; V173-L177 HydrophobicContact CG1-CD2 3.89Å; V173-L177 HydrophobicContact CG2-CB 4.4Å; D174-L177 PolarHBondContact OD1-N 3.44Å; L177-E180 PolarHBondContact O-N 3.22Å; L177-A181 PolarHBondContact O-N 3.19Å
178	A	97.1	Very high	95.5	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-41.1	175.1	0	0	0	0	0	112.4	T164 V167 R168 V173 D174 V176 V182	T164-A178 HydrophobicContact CG2-CB 3.94Å; V167-A178 HydrophobicContact CB-CB 4.24Å; V167-A178 HydrophobicContact CG1-CB 3.83Å; R168-A178 HydrophobicContact CG-CB 3.39Å; V173-A178 HydrophobicContact CG2-CB 3.95Å; D174-A178 WeakPolarHBondContact O-CB 3.45Å; D174-A178 PolarHBondContact O-N 3.25Å; D174-A178 VanDerWaalsContact O-N 3.14Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 2.92Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.45Å; A178-V182 PolarHBondContact O-N 3.41Å; A178-V182 VanDerWaalsContact O-N 3.13Å
179	K	97.9	Very high	95.6	Very high	106 Å²	106	64.8 Å²	64.8	46%	0.461	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-44.9	174.4	-79.3	171.3	174	163.3	0	111.4	T164 D175 V176 A181 V182 E183	T164-K179 HydrophobicContact CG2-CG 3.71Å; D175-K179 WeakPolarHBondContact O-CB 3.24Å; D175-K179 VanDerWaalsContact O-CG 3.23Å; D175-K179 WeakPolarHBondContact O-CG 3.22Å; D175-K179 PolarHBondContact O-N 3.31Å; D175-K179 WeakPolarHBondContact OD2-CE 3.29Å; D175-K179 IonicContact OD2-NZ 2.65Å; D175-K179 PolarHBondContact OD2-NZ 3.38Å; V176-K179 PolarHBondContact O-N 2.97Å; V176-K179 VanDerWaalsContact O-N 3.17Å; K179-A181 PolarHBondContact O-N 2.98Å; K179-V182 PolarHBondContact O-N 3.13Å; K179-E183 WeakPolarHBondContact O-CB 3.1Å; K179-E183 VanDerWaalsContact O-CG 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.31Å; K179-E183 PolarHBondContact O-N 3.46Å
180	E	97.9	Very high	95.8	Very high	116 Å²	116	64.1 Å²	64.1	54%	0.542	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-45.3	178.6	-73.4	176.2	176.3	0	0	112.2	V176 L177 V182 E183 K184	V176-E180 WeakPolarHBondContact O-CG 3.29Å; V176-E180 PolarHBondContact O-N 2.94Å; L177-E180 PolarHBondContact O-N 3.22Å; E180-V182 VanDerWaalsContact C-N 3.35Å; E180-V182 PolarHBondContact O-N 3Å; E180-E183 PolarHBondContact O-N 3.24Å; E180-K184 WeakPolarHBondContact O-CB 3.48Å; E180-K184 PolarHBondContact O-N 2.86Å
181	A	97.6	Very high	95.9	Very high	13 Å²	13	63.9 Å²	63.9	11%	0.107	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-43.5	176.5	0	0	0	0	0	112	I119 A123 L177 K179 A185	I119-A181 HydrophobicContact CD1-CB 3.92Å; I119-A181 HydrophobicContact CG1-CB 3.84Å; A123-A181 HydrophobicContact CB-CB 4.14Å; L177-A181 PolarHBondContact O-N 3.19Å; K179-A181 PolarHBondContact O-N 2.98Å; A181-A185 WeakPolarHBondContact O-CB 3.48Å; A181-A185 PolarHBondContact O-N 3.27Å; A181-A185 VanDerWaalsContact O-N 3.14Å
182	V	98.4	Very high	96	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-47.6	176.5	168.5	0	0	0	0	111.2	A123 I127 K160 A163 V167 A178 K179 E180 K184 A185 Y186	A123-V182 HydrophobicContact CB-CG2 4.26Å; I127-V182 HydrophobicContact CD1-CG1 4.2Å; I127-V182 HydrophobicContact CG1-CG1 4.19Å; K160-V182 HydrophobicContact CB-CG1 4.28Å; K160-V182 HydrophobicContact CG-CG1 4.07Å; A163-V182 HydrophobicContact CB-CG1 4.19Å; A163-V182 HydrophobicContact CB-CG2 3.84Å; V167-V182 HydrophobicContact CG2-CG2 4.33Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.45Å; A178-V182 PolarHBondContact O-N 3.41Å; A178-V182 VanDerWaalsContact O-N 3.13Å; K179-V182 PolarHBondContact O-N 3.13Å; E180-V182 VanDerWaalsContact C-N 3.35Å; E180-V182 PolarHBondContact O-N 3Å; V182-K184 VanDerWaalsContact C-N 3.35Å; V182-K184 PolarHBondContact O-N 3.02Å; V182-A185 PolarHBondContact O-N 3.44Å; V182-Y186 WeakPolarHBondContact O-CA 3.49Å; V182-Y186 VanDerWaalsContact O-CB 3.31Å; V182-Y186 WeakPolarHBondContact O-CB 3.41Å; V182-Y186 PolarHBondContact O-N 3.43Å
183	E	98	Very high	96.2	Very high	98 Å²	98	62.5 Å²	62.5	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-44.6	178.7	-72.7	-63.9	164.4	0	0	111.9	K160 K179 E180 A185 Y186	K160-E183 WeakPolarHBondContact CD-OE1 3.44Å; K160-E183 VanDerWaalsContact CE-OE1 3.24Å; K160-E183 WeakPolarHBondContact CE-OE1 3.04Å; K160-E183 WeakPolarHBondContact CE-OE2 3.41Å; K160-E183 IonicContact NZ-OE1 2.68Å; K160-E183 PolarHBondContact NZ-OE1 3.34Å; K160-E183 IonicContact NZ-OE2 2.66Å; K160-E183 PolarHBondContact NZ-OE2 3.29Å; K179-E183 WeakPolarHBondContact O-CB 3.1Å; K179-E183 VanDerWaalsContact O-CG 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.31Å; K179-E183 PolarHBondContact O-N 3.46Å; E180-E183 PolarHBondContact O-N 3.24Å; E183-A185 VanDerWaalsContact C-N 3.32Å; E183-A185 PolarHBondContact O-N 3.14Å; E183-Y186 PolarHBondContact O-N 3.27Å
184	K	97.7	Very high	96.3	Very high	156 Å²	156	65.5 Å²	65.5	68%	0.678	33%	0.328	S	S	*	.	H	α-helix	trans	-61.4	-39.5	178.4	-173.5	-176.6	177.7	-169.7	0	112.2	E120 E180 V182	E120-K184 IonicContact OE1-NZ 2.97Å; E120-K184 PolarHBondContact OE1-NZ 3.29Å; E180-K184 WeakPolarHBondContact O-CB 3.48Å; E180-K184 PolarHBondContact O-N 2.86Å; V182-K184 VanDerWaalsContact C-N 3.35Å; V182-K184 PolarHBondContact O-N 3.02Å
185	A	97	Very high	96.4	Very high	6 Å²	6	61.9 Å²	61.9	5%	0.05	31%	0.31	C	S	.	.	H	α-helix	trans	-84.5	-18.9	-179.5	0	0	0	0	0	113.6	A123 C124 I127 A181 V182 E183 V187 R188 C189	A123-A185 HydrophobicContact CB-CB 4.4Å; C124-A185 HydrophobicContact CB-CB 4.43Å; I127-A185 HydrophobicContact CD1-CB 3.79Å; A181-A185 WeakPolarHBondContact O-CB 3.48Å; A181-A185 PolarHBondContact O-N 3.27Å; A181-A185 VanDerWaalsContact O-N 3.14Å; V182-A185 PolarHBondContact O-N 3.44Å; E183-A185 VanDerWaalsContact C-N 3.32Å; E183-A185 PolarHBondContact O-N 3.14Å; A185-V187 PolarHBondContact O-N 3.33Å; A185-R188 PolarHBondContact O-N 3.33Å; A185-C189 WeakPolarHBondContact O-CB 3.37Å; A185-C189 PolarHBondContact O-N 2.77Å; A185-C189 PolarHBondContact O-SG 3.3Å
186	Y	97.5	Very high	96.4	Very high	27 Å²	27	61.1 Å²	61.1	11%	0.106	31%	0.305	C	S	.	.	H	α-helix	trans	-53.2	-55.4	-164.2	-173.1	-97.4	0	0	0	113.9	A156 I159 K160 V182 E183 R188 C189 Y190	A156-Y186 VanDerWaalsContact CA-OH 3.24Å; A156-Y186 WeakPolarHBondContact CA-OH 3.38Å; A156-Y186 VanDerWaalsContact CB-OH 3.22Å; A156-Y186 WeakPolarHBondContact CB-OH 3.24Å; I159-Y186 HydrophobicContact CB-CE2 4.17Å; I159-Y186 HydrophobicContact CG2-CD2 4.42Å; I159-Y186 HydrophobicContact CG2-CE2 3.79Å; K160-Y186 HydrophobicContact CD-CD2 4.37Å; K160-Y186 HydrophobicContact CD-CE2 4.38Å; K160-Y186 HydrophobicContact CG-CD2 3.77Å; K160-Y186 HydrophobicContact CG-CE2 3.79Å; V182-Y186 WeakPolarHBondContact O-CA 3.49Å; V182-Y186 VanDerWaalsContact O-CB 3.31Å; V182-Y186 WeakPolarHBondContact O-CB 3.41Å; V182-Y186 PolarHBondContact O-N 3.43Å; E183-Y186 PolarHBondContact O-N 3.27Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 3.45Å; Y186-C189 PolarHBondContact O-N 2.69Å; Y186-Y190 HydrophobicContact CE1-CG 4.22Å; Y186-Y190 WeakPolarHBondContact O-CB 3.23Å; Y186-Y190 PolarHBondContact O-N 2.87Å
187	V	93.9	Very high	95.7	Very high	118 Å²	118	62.4 Å²	62.4	72%	0.715	32%	0.316	S	S	*	.	H	α-helix	trans	-59.4	-45	-173.2	176.1	0	0	0	0	111.6	A185	A185-V187 PolarHBondContact O-N 3.33Å
188	R	94.5	Very high	94.7	Very high	158 Å²	158	63 Å²	63	60%	0.596	32%	0.315	S	S	*	.	H	α-helix	trans	-65.8	-49.1	179.7	179.6	179.5	66.4	176.2	1.2	111.1	A185 Y186	A185-R188 PolarHBondContact O-N 3.33Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 3.45Å
189	C	97.2	Very high	93.2	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.007	33%	0.328	C	S	.	.	H	α-helix	trans	-82.6	-28.2	-168.4	-52.5	0	0	0	0	112.4	C124 I127 R128 A185 Y186 A191 D192	C124-C189 WeakPolarHBondContact CA-SG 3.45Å; C124-C189 HydrophobicContact CB-CB 4.02Å; C124-C189 WeakPolarHBondContact CB-SG 3.29Å; C124-C189 WeakPolarHBondContact SG-CB 3.33Å; C124-C189 CovalentContact SG-SG 2.02Å; C124-C189 PolarHBondContact SG-SG 3.08Å; I127-C189 HydrophobicContact CB-CB 4.02Å; I127-C189 HydrophobicContact CD1-CB 4.23Å; I127-C189 HydrophobicContact CG2-CB 3.73Å; R128-C189 HydrophobicContact CG-CB 4.3Å; R128-C189 WeakPolarHBondContact CG-O 3.24Å; A185-C189 WeakPolarHBondContact O-CB 3.37Å; A185-C189 PolarHBondContact O-N 2.77Å; A185-C189 PolarHBondContact O-SG 3.3Å; Y186-C189 PolarHBondContact O-N 2.69Å; C189-A191 VanDerWaalsContact C-N 3.33Å; C189-D192 PolarHBondContact O-N 2.65Å
190	Y	95.1	Very high	91.3	Very high	45 Å²	45	66.6 Å²	66.6	18%	0.176	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-36.7	172.1	172.9	-104.6	0	0	0	112.5	N131 I159 Y186 D192 F193	N131-Y190 PolarHBondContact ND2-O 3.05Å; I159-Y190 HydrophobicContact CD1-CD2 3.61Å; I159-Y190 HydrophobicContact CD1-CE2 3.69Å; Y186-Y190 HydrophobicContact CE1-CG 4.22Å; Y186-Y190 WeakPolarHBondContact O-CB 3.23Å; Y186-Y190 PolarHBondContact O-N 2.87Å; Y190-D192 PolarHBondContact O-N 3.17Å; Y190-F193 WeakPolarHBondContact O-CE2 3.31Å
191	A	92.5	Very high	89.2	Confident	61 Å²	61	69.4 Å²	69.4	50%	0.504	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10	-178.8	0	0	0	0	0	113.5	C189	C189-A191 VanDerWaalsContact C-N 3.33Å
192	D	95	Very high	86.9	Confident	40 Å²	40	69.8 Å²	69.8	21%	0.214	35%	0.348	C	S	.	.			trans	-97.1	105.7	-174	-170.1	-20	0	0	0	111.5	R111 R128 C189 Y190 E194	R111-D192 IonicContact CZ-OD1 3.09Å; R111-D192 IonicContact CZ-OD2 3.2Å; R111-D192 IonicContact NH1-OD1 3.36Å; R111-D192 PolarHBondContact NH1-OD1 3.11Å; R111-D192 IonicContact NH1-OD2 2.56Å; R111-D192 PolarHBondContact NH1-OD2 2.83Å; R111-D192 VanDerWaalsContact NH2-CG 3.32Å; R111-D192 IonicContact NH2-OD1 3.68Å; R111-D192 PolarHBondContact NH2-OD1 3.34Å; R111-D192 IonicContact NH2-OD2 2.77Å; R111-D192 PolarHBondContact NH2-OD2 3.06Å; R128-D192 PolarHBondContact NE-O 3.02Å; R128-D192 IonicContact NE-OD1 3.77Å; R128-D192 IonicContact NE-OD2 3.73Å; C189-D192 PolarHBondContact O-N 2.65Å; Y190-D192 PolarHBondContact O-N 3.17Å; D192-E194 PolarHBondContact OD1-N 3.14Å; D192-E194 VanDerWaalsContact OD1-N 3.12Å
193	F	95.1	Very high	84.1	Confident	9 Å²	9	78.7 Å²	78.7	4%	0.039	38%	0.382	C	S	.	.			trans	-99.6	-0.8	-177.7	-79.9	-103.9	0	0	0	113.6	L132 Y190 F196 K198	L132-F193 HydrophobicContact CD2-CB 4.3Å; L132-F193 HydrophobicContact CD2-CD1 3.62Å; L132-F193 HydrophobicContact CD2-CE1 4.18Å; L132-F193 HydrophobicContact CD2-CG 4.11Å; Y190-F193 WeakPolarHBondContact O-CE2 3.31Å; F193-F196 CarbonylContact C-O 3.43Å; F193-F196 CarbonylContact O-C 3.41Å; F193-F196 VanDerWaalsContact O-CA 3.31Å; F193-F196 WeakPolarHBondContact O-CA 3.45Å; F193-F196 WeakPolarHBondContact O-CB 3.33Å; F193-F196 PolarHBondContact O-N 3.37Å; F193-K198 HydrophobicContact CB-CB 4.33Å; F193-K198 HydrophobicContact CD1-CB 4.44Å; F193-K198 HydrophobicContact CD1-CG 4.44Å; F193-K198 HydrophobicContact CD2-CB 4.12Å; F193-K198 HydrophobicContact CD2-CD 4.26Å; F193-K198 HydrophobicContact CD2-CG 3.91Å; F193-K198 HydrophobicContact CE1-CG 4.42Å; F193-K198 HydrophobicContact CE2-CD 4.17Å; F193-K198 HydrophobicContact CE2-CG 3.9Å; F193-K198 HydrophobicContact CG-CB 4.03Å; F193-K198 HydrophobicContact CG-CG 4.19Å; F193-K198 HydrophobicContact CZ-CG 4.15Å
194	E	95.8	Very high	81.4	Confident	103 Å²	103	83.5 Å²	83.5	48%	0.481	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	142	-177.9	-69.9	-170.6	179.5	0	0	111.4	F107 R111 R128 D192 F196	F107-E194 HydrophobicContact CE1-CB 3.97Å; F107-E194 HydrophobicContact CZ-CB 4.27Å; R111-E194 IonicContact CZ-OE2 2.91Å; R111-E194 IonicContact NE-OE2 3.59Å; R111-E194 IonicContact NH1-OE2 3.73Å; R111-E194 PolarHBondContact NH1-OE2 3.16Å; R128-E194 PolarHBondContact NH2-O 2.94Å; D192-E194 PolarHBondContact OD1-N 3.14Å; D192-E194 VanDerWaalsContact OD1-N 3.12Å; E194-F196 VanDerWaalsContact C-N 3.32Å
195	P	96.4	Very high	78.9	Confident	23 Å²	23	78.8 Å²	78.8	15%	0.149	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90.2	15.9	4.8	38.4	-36.7	0	0	0	113.9	Q44 L45 A48 F107	Q44-P195 HydrophobicContact CG-CG 4.26Å; Q44-P195 PolarHBondContact NE2-O 3.42Å; L45-P195 HydrophobicContact CD2-CG 3.93Å; A48-P195 HydrophobicContact CB-CB 3.32Å; A48-P195 HydrophobicContact CB-CG 3.61Å; F107-P195 HydrophobicContact CD1-CG 4.43Å; F107-P195 HydrophobicContact CE1-CB 4.07Å; F107-P195 VanDerWaalsContact CE1-CD 3.48Å; F107-P195 HydrophobicContact CE1-CG 4.16Å; F107-P195 HydrophobicContact CE2-CB 4.27Å; F107-P195 HydrophobicContact CZ-CB 3.75Å; F107-P195 HydrophobicContact CZ-CG 4.23Å
196	F	95.1	Very high	76.4	Confident	34 Å²	34	86.6 Å²	86.6	15%	0.149	42%	0.417	C	S	.	.	S	Bend	trans	-94	159.6	178.8	-53.8	-77.5	0	0	0	111	V41 Q44 L45 L132 V138 F193 E194	V41-F196 HydrophobicContact CG1-CE1 4.26Å; V41-F196 HydrophobicContact CG1-CZ 3.73Å; Q44-F196 HydrophobicContact CB-CE1 3.91Å; Q44-F196 HydrophobicContact CG-CD1 4.01Å; Q44-F196 HydrophobicContact CG-CE1 3.75Å; Q44-F196 HydrophobicContact CG-CZ 4.49Å; L45-F196 HydrophobicContact CD1-CZ 4.18Å; L45-F196 HydrophobicContact CD2-CE2 3.96Å; L45-F196 HydrophobicContact CD2-CZ 4.12Å; L45-F196 HydrophobicContact CG-CE2 4.14Å; L45-F196 HydrophobicContact CG-CZ 3.79Å; L132-F196 HydrophobicContact CD1-CD2 4.29Å; L132-F196 HydrophobicContact CD2-CD2 4.46Å; V138-F196 HydrophobicContact CB-CB 4.29Å; V138-F196 HydrophobicContact CB-CD1 4.2Å; V138-F196 HydrophobicContact CB-CD2 4.18Å; V138-F196 HydrophobicContact CB-CG 3.96Å; V138-F196 HydrophobicContact CG1-CB 3.97Å; V138-F196 HydrophobicContact CG1-CD2 3.79Å; V138-F196 HydrophobicContact CG1-CE2 4.45Å; V138-F196 HydrophobicContact CG1-CG 3.86Å; V138-F196 HydrophobicContact CG2-CD1 3.93Å; V138-F196 HydrophobicContact CG2-CD2 3.92Å; V138-F196 HydrophobicContact CG2-CE1 3.87Å; V138-F196 HydrophobicContact CG2-CE2 3.85Å; V138-F196 HydrophobicContact CG2-CG 3.95Å; V138-F196 HydrophobicContact CG2-CZ 3.82Å; F193-F196 CarbonylContact C-O 3.43Å; F193-F196 CarbonylContact O-C 3.41Å; F193-F196 VanDerWaalsContact O-CA 3.31Å; F193-F196 WeakPolarHBondContact O-CA 3.45Å; F193-F196 WeakPolarHBondContact O-CB 3.33Å; F193-F196 PolarHBondContact O-N 3.37Å; E194-F196 VanDerWaalsContact C-N 3.32Å
197	C	84.1	Confident	73.4	Confident	118 Å²	118	92.6 Å²	92.6	80%	0.797	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-77.2	140.6	168.1	-65.8	0	0	0	0	109.3	H199	C197-H199 PolarHBondContact O-N 3.36Å
198	K	74.5	Confident	70.6	Confident	89 Å²	89	94.3 Å²	94.3	39%	0.387	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-57.7	135.4	167.5	-170.6	173.9	-174	-178.7	0	109.5	F193 L200 D202	F193-K198 HydrophobicContact CB-CB 4.33Å; F193-K198 HydrophobicContact CD1-CB 4.44Å; F193-K198 HydrophobicContact CD1-CG 4.44Å; F193-K198 HydrophobicContact CD2-CB 4.12Å; F193-K198 HydrophobicContact CD2-CD 4.26Å; F193-K198 HydrophobicContact CD2-CG 3.91Å; F193-K198 HydrophobicContact CE1-CG 4.42Å; F193-K198 HydrophobicContact CE2-CD 4.17Å; F193-K198 HydrophobicContact CE2-CG 3.9Å; F193-K198 HydrophobicContact CG-CB 4.03Å; F193-K198 HydrophobicContact CG-CG 4.19Å; F193-K198 HydrophobicContact CZ-CG 4.15Å; K198-L200 PolarHBondContact O-N 3.45Å; K198-D202 HydrophobicContact CD-CB 4.49Å; K198-D202 HydrophobicContact CG-CB 4.43Å
199	H	65.9	Low	69.4	Low	58 Å²	58	91.2 Å²	91.2	27%	0.269	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-54.4	125.3	176.5	-73.8	-68.4	0	0	0	109.8	P137 V138 C197 F201 D202	P137-H199 PolarHBondContact O-NE2 2.85Å; V138-H199 PolarHBondContact O-CE1 3.27Å; C197-H199 PolarHBondContact O-N 3.36Å; H199-F201 PolarHBondContact O-N 2.68Å; H199-F201 VanDerWaalsContact O-N 3.13Å; H199-D202 PolarHBondContact O-N 3.02Å
200	L	57.5	Low	68	Low	124 Å²	124	95.9 Å²	95.9	65%	0.649	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-58	-29.6	-177.7	-73.9	170.2	0	0	0	112.4	K198 D202 R203	K198-L200 PolarHBondContact O-N 3.45Å; L200-D202 PolarHBondContact O-N 3.41Å; L200-R203 PolarHBondContact O-N 3.38Å
201	F	54.3	Low	66.5	Low	176 Å²	176	98.7 Å²	98.7	77%	0.772	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-60.3	-28.9	177.2	-70.4	-74.9	0	0	0	113.4	H199 R203 Y204	H199-F201 PolarHBondContact O-N 2.68Å; H199-F201 VanDerWaalsContact O-N 3.13Å; F201-R203 PolarHBondContact O-N 2.81Å; F201-Y204 PolarHBondContact O-N 2.66Å
202	D	49.9	Very low	64.9	Low	20 Å²	20	100.9 Å²	100.9	11%	0.107	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-70.1	-20.5	179.8	-70.8	-16.4	0	0	0	112.9	Q136 K198 H199 L200 Y204 S205	Q136-D202 PolarHBondContact NE2-OD1 2.88Å; Q136-D202 PolarHBondContact NE2-OD2 3.02Å; K198-D202 HydrophobicContact CD-CB 4.49Å; K198-D202 HydrophobicContact CG-CB 4.43Å; H199-D202 PolarHBondContact O-N 3.02Å; L200-D202 PolarHBondContact O-N 3.41Å; D202-Y204 PolarHBondContact O-N 3.4Å; D202-S205 PolarHBondContact O-N 2.94Å
203	R	39.2	Very low	63.1	Low	189 Å²	189	104.8 Å²	104.8	71%	0.713	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-67.1	-26.4	176.5	-65.7	-160.1	-154.1	-166.3	8.1	112.5	L200 F201	L200-R203 PolarHBondContact O-N 3.38Å; F201-R203 PolarHBondContact O-N 2.81Å
204	Y	40.4	Very low	60.9	Low	198 Å²	198	111.1 Å²	111.1	78%	0.776	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-15.2	-178.2	-74.8	-80.8	0	0	0	113.3	F201 D202	F201-Y204 PolarHBondContact O-N 2.66Å; D202-Y204 PolarHBondContact O-N 3.4Å
205	S	45	Very low	58.4	Low	57 Å²	57	111.7 Å²	111.7	40%	0.399	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-6.1	-177.6	-58.4	0	0	0	0	115.4	D202	D202-S205 PolarHBondContact O-N 2.94Å
206	F	45.1	Very low	55.5	Low	170 Å²	170	118.5 Å²	118.5	75%	0.746	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	0.8	177	-96.8	-83.5	0	0	0	114.4
207	N	33.8	Very low	52.2	Low	153 Å²	153	125.6 Å²	125.6	82%	0.818	64%	0.643	S	S	*	*			trans	-111.2	25.8	178.4	-74.3	-16.8	0	0	0	113.5
208	A	37	Very low	49.3	Very low	155 Å²	155	126.3 Å²	126.3	100%	1.281	63%	0.629	S	S	*	*			trans	-125.8	0	169.6	0	0	0	0	0	109.3

Retrieved 208 of 208 residues in 176.3 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).