A0A077ZMV4_TRITR Loading...

E3 ubiquitin-protein ligase

Ubiquitin ligase protein which is a component of the N-end rule pathway. Recognizes and binds to proteins bearing specific N-terminal residues that are destabilizing according to the N-end rule, leading to their ubiquitination and subsequent degradation.

AlphaFold DB , UniProt , Accession A0A077ZMV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	35.3	Very low	246 Å²	246	131.3 Å²	131.3	100%	1.212	82%	0.817	S	S	*	*				0	97.4	0	-74	-176.6	162.3	0	0	107.4	A3	M1-A3 PolarHBondContact O-N 3.43Å
2	A	36.7	Very low	35	Very low	107 Å²	107	131.4 Å²	131.4	88%	0.884	82%	0.817	S	S	*	*			trans	-74.1	122.1	-178.7	0	0	0	0	0	109	L4	A2-L4 PolarHBondContact O-N 3.48Å
3	A	32.5	Very low	35.4	Very low	99 Å²	99	136.1 Å²	136.1	82%	0.818	82%	0.823	S	S	*	*			trans	-61.9	130.1	-180	0	0	0	0	0	110.6	M1 G5	M1-A3 PolarHBondContact O-N 3.43Å; A3-G5 PolarHBondContact O-N 3.12Å; A3-G5 VanDerWaalsContact O-N 3.12Å
4	L	33.5	Very low	35.9	Very low	176 Å²	176	130.6 Å²	130.6	92%	0.921	80%	0.8	S	S	*	*			trans	-61.1	110.4	167.5	-69.9	162.7	0	0	0	107.8	A2	A2-L4 PolarHBondContact O-N 3.48Å
5	G	37.6	Very low	36.8	Very low	59 Å²	59	129.3 Å²	129.3	61%	0.608	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-60.9	157.1	172.4	0	0	0	0	0	111.2	A3 G7	A3-G5 PolarHBondContact O-N 3.12Å; A3-G5 VanDerWaalsContact O-N 3.12Å; G5-G7 PolarHBondContact O-N 3.27Å
6	P	39.1	Very low	37.9	Very low	130 Å²	130	123.7 Å²	123.7	84%	0.844	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-61.1	128.5	-174.8	27.4	-32.5	0	0	0	109.1	V8	P6-V8 PolarHBondContact O-N 3.27Å
7	G	36	Very low	39	Very low	69 Å²	69	118.8 Å²	118.8	71%	0.711	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-51.3	128.6	175.8	0	0	0	0	0	109.8	G5 P9	G5-G7 PolarHBondContact O-N 3.27Å; G7-P9 WeakPolarHBondContact O-CD 3.37Å; G7-P9 VanDerWaalsContact O-N 3.14Å
8	V	35.5	Very low	39.9	Very low	104 Å²	104	115.8 Å²	115.8	63%	0.63	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-55.8	119.2	171.9	177.9	0	0	0	0	106.5	P6 M10	P6-V8 PolarHBondContact O-N 3.27Å; V8-M10 PolarHBondContact O-N 3.17Å; V8-M10 VanDerWaalsContact O-N 3.17Å
9	P	27	Very low	40.9	Very low	106 Å²	106	112.9 Å²	112.9	69%	0.688	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-59.3	124.8	176	-15.6	28.1	0	0	0	107.3	G7 E11	G7-P9 WeakPolarHBondContact O-CD 3.37Å; G7-P9 VanDerWaalsContact O-N 3.14Å; P9-E11 PolarHBondContact O-N 2.99Å
10	M	34.9	Very low	41.9	Very low	179 Å²	179	107.3 Å²	107.3	88%	0.882	66%	0.663	S	S	*	*			trans	-60.2	108.2	165.8	-161.1	178	82.8	0	0	105.4	V8 T12	V8-M10 PolarHBondContact O-N 3.17Å; V8-M10 VanDerWaalsContact O-N 3.17Å; M10-T12 PolarHBondContact O-N 2.98Å
11	E	37.3	Very low	42.8	Very low	169 Å²	169	107.3 Å²	107.3	79%	0.79	66%	0.655	S	S	*	*			trans	-53.4	115	-177.4	-71.8	-179.4	161.9	0	0	108	P9 E13	P9-E11 PolarHBondContact O-N 2.99Å; E11-E13 PolarHBondContact O-N 3.14Å; E11-E13 VanDerWaalsContact O-N 3.11Å
12	T	32.6	Very low	44.1	Very low	133 Å²	133	103.5 Å²	103.5	82%	0.816	63%	0.632	S	S	*	*			trans	-60.1	115.4	174.5	47.4	0	0	0	0	107.1	M10 A14	M10-T12 PolarHBondContact O-N 2.98Å; T12-A14 PolarHBondContact O-N 2.84Å
13	E	39.4	Very low	45.3	Very low	192 Å²	192	98.9 Å²	98.9	90%	0.897	59%	0.592	S	S	*	*			trans	-47.3	105.1	173.1	-67.1	-179.1	155.3	0	0	108.6	E11 D15	E11-E13 PolarHBondContact O-N 3.14Å; E11-E13 VanDerWaalsContact O-N 3.11Å; E13-D15 PolarHBondContact O-N 3.14Å
14	A	43.2	Very low	46.8	Very low	60 Å²	60	95 Å²	95	50%	0.496	56%	0.557	S	S	.	*			trans	-61.6	125.9	167.2	0	0	0	0	0	106.7	T12 S16 P82	T12-A14 PolarHBondContact O-N 2.84Å; A14-S16 PolarHBondContact O-N 2.88Å; A14-P82 HydrophobicContact CB-CG 4.11Å
15	D	49.7	Very low	48.5	Very low	111 Å²	111	91.6 Å²	91.6	59%	0.594	54%	0.54	S	S	*	.			trans	-50.5	100	-171.3	-179.5	8.7	0	0	0	111.6	E13 S17 A18	E13-D15 PolarHBondContact O-N 3.14Å; D15-S17 PolarHBondContact O-N 2.81Å; D15-S17 VanDerWaalsContact O-N 3.13Å; D15-S17 WeakPolarHBondContact OD1-CB 3.36Å; D15-S17 PolarHBondContact OD1-N 3.29Å; D15-S17 PolarHBondContact OD1-OG 2.74Å; D15-S17 PolarHBondContact OD2-OG 3.01Å; D15-A18 PolarHBondContact O-N 3.01Å
16	S	53.1	Low	49.6	Very low	39 Å²	39	93.4 Å²	93.4	27%	0.273	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.9	-178.3	77.9	0	0	0	0	111.8	A14 A18 V19 D20 E87	A14-S16 PolarHBondContact O-N 2.88Å; S16-A18 VanDerWaalsContact C-N 3.34Å; S16-A18 PolarHBondContact O-N 3.29Å; S16-V19 PolarHBondContact O-N 3.26Å; S16-D20 PolarHBondContact O-N 3.11Å; S16-E87 WeakPolarHBondContact OG-CG 3.44Å
17	S	57	Low	50.9	Low	41 Å²	41	89.3 Å²	89.3	29%	0.287	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-37.5	-176.8	83.6	0	0	0	0	112.3	D15 V19 D20 H21	D15-S17 PolarHBondContact O-N 2.81Å; D15-S17 VanDerWaalsContact O-N 3.13Å; D15-S17 WeakPolarHBondContact OD1-CB 3.36Å; D15-S17 PolarHBondContact OD1-N 3.29Å; D15-S17 PolarHBondContact OD1-OG 2.74Å; D15-S17 PolarHBondContact OD2-OG 3.01Å; S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.87Å; S17-D20 PolarHBondContact O-N 2.97Å; S17-H21 PolarHBondContact O-CD2 3.28Å; S17-H21 PolarHBondContact O-N 2.84Å; S17-H21 VanDerWaalsContact O-N 3.17Å
18	A	55.7	Low	52.9	Low	64 Å²	64	95.2 Å²	95.2	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-31.7	-178.1	0	0	0	0	0	112.7	D15 S16	D15-A18 PolarHBondContact O-N 3.01Å; S16-A18 VanDerWaalsContact C-N 3.34Å; S16-A18 PolarHBondContact O-N 3.29Å
19	V	58.4	Low	55.1	Low	62 Å²	62	92.4 Å²	92.4	38%	0.376	49%	0.491	S	S	.	.	H	α-helix	trans	-83.6	-38.3	179.7	-166	0	0	0	0	111	S16 S17 H21 K22 P84 H85	S16-V19 PolarHBondContact O-N 3.26Å; S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.87Å; V19-H21 PolarHBondContact O-N 3.26Å; V19-K22 PolarHBondContact O-N 3.49Å; V19-P84 HydrophobicContact CB-CB 4.31Å; V19-P84 HydrophobicContact CG1-CB 3.43Å; V19-P84 VanDerWaalsContact CG1-CB 3.43Å; V19-H85 PolarHBondContact O-CE1 2.88Å; V19-H85 PolarHBondContact O-ND1 3.04Å
20	D	61.2	Low	58	Low	0 Å²	0	94.1 Å²	94.1	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-50.9	-42.4	170.4	-74.9	-46.2	0	0	0	112.2	S16 S17 K22 L23 L24 K31 H85 E87 L88	S16-D20 PolarHBondContact O-N 3.11Å; S17-D20 PolarHBondContact O-N 2.97Å; D20-K22 PolarHBondContact O-N 3.27Å; D20-K22 VanDerWaalsContact O-N 3.16Å; D20-L23 PolarHBondContact O-N 3.31Å; D20-L23 VanDerWaalsContact O-N 3.08Å; D20-L24 HydrophobicContact CB-CD1 4.01Å; D20-L24 WeakPolarHBondContact O-CG 3.39Å; D20-L24 PolarHBondContact O-N 2.95Å; D20-K31 WeakPolarHBondContact OD2-CE 3.5Å; D20-K31 IonicContact OD2-NZ 2.68Å; D20-K31 PolarHBondContact OD2-NZ 3.47Å; D20-H85 WeakPolarHBondContact OD1-CA 3.45Å; D20-E87 WeakPolarHBondContact OD2-CB 3.18Å; D20-L88 PolarHBondContact OD1-N 3.06Å
21	H	61.2	Low	60.5	Low	107 Å²	107	87.5 Å²	87.5	50%	0.495	46%	0.455	S	S	.	.	H	α-helix	trans	-51.4	-40.8	-179.1	-87.2	-62	0	0	0	112.8	S17 V19 L23 L24 D25	S17-H21 PolarHBondContact O-CD2 3.28Å; S17-H21 PolarHBondContact O-N 2.84Å; S17-H21 VanDerWaalsContact O-N 3.17Å; V19-H21 PolarHBondContact O-N 3.26Å; H21-L23 VanDerWaalsContact C-N 3.3Å; H21-L23 PolarHBondContact O-N 2.86Å; H21-L24 CarbonylContact O-C 3.54Å; H21-L24 PolarHBondContact O-N 2.98Å; H21-L24 VanDerWaalsContact O-N 3.15Å; H21-D25 WeakPolarHBondContact O-CB 3.4Å; H21-D25 PolarHBondContact O-N 3.35Å
22	K	63.9	Low	63.1	Low	166 Å²	166	81.7 Å²	81.7	72%	0.722	43%	0.434	S	S	*	.	H	α-helix	trans	-67.8	-28.1	-176.4	-145.5	174.3	-168.3	175	0	113.9	V19 D20	V19-K22 PolarHBondContact O-N 3.49Å; D20-K22 PolarHBondContact O-N 3.27Å; D20-K22 VanDerWaalsContact O-N 3.16Å
23	L	62.8	Low	65.9	Low	10 Å²	10	79.4 Å²	79.4	5%	0.052	41%	0.414	C	S	.	.	H	α-helix	trans	-84.1	-37.3	172.5	-140.4	87.9	0	0	0	111.2	D20 H21 D25 I26 L72 S75 L88	D20-L23 PolarHBondContact O-N 3.31Å; D20-L23 VanDerWaalsContact O-N 3.08Å; H21-L23 VanDerWaalsContact C-N 3.3Å; H21-L23 PolarHBondContact O-N 2.86Å; L23-D25 PolarHBondContact O-N 3.49Å; L23-I26 HydrophobicContact CG-CD1 4.43Å; L23-I26 WeakPolarHBondContact O-CB 3.37Å; L23-I26 WeakPolarHBondContact O-CG1 3.49Å; L23-I26 PolarHBondContact O-N 3.47Å; L23-I26 VanDerWaalsContact O-N 3.09Å; L23-L72 HydrophobicContact CD2-CD1 3.35Å; L23-S75 WeakPolarHBondContact CD1-OG 3.34Å; L23-L88 HydrophobicContact CB-CD2 4.16Å; L23-L88 HydrophobicContact CD2-CD2 3.43Å; L23-L88 VanDerWaalsContact CD2-CD2 3.43Å; L23-L88 HydrophobicContact CG-CD2 4.35Å
24	L	64.8	Low	68.2	Low	17 Å²	17	70.3 Å²	70.3	9%	0.089	37%	0.372	C	S	.	.	H	α-helix	trans	-66.8	-26.8	176.8	-69.1	169.8	0	0	0	112.6	D20 H21 I26 F27 K28 K31 L88	D20-L24 HydrophobicContact CB-CD1 4.01Å; D20-L24 WeakPolarHBondContact O-CG 3.39Å; D20-L24 PolarHBondContact O-N 2.95Å; H21-L24 CarbonylContact O-C 3.54Å; H21-L24 PolarHBondContact O-N 2.98Å; H21-L24 VanDerWaalsContact O-N 3.15Å; L24-I26 PolarHBondContact O-N 3.22Å; L24-F27 HydrophobicContact CD2-CD2 4.5Å; L24-F27 CarbonylContact O-C 3.5Å; L24-F27 WeakPolarHBondContact O-CA 3.4Å; L24-F27 PolarHBondContact O-N 2.77Å; L24-K28 PolarHBondContact O-N 3.32Å; L24-K31 HydrophobicContact CD1-CD 4.15Å; L24-K31 HydrophobicContact CD1-CG 3.5Å; L24-K31 HydrophobicContact CD2-CG 3.88Å; L24-K31 HydrophobicContact CG-CG 4.3Å; L24-L88 HydrophobicContact CD2-CD1 3.96Å; L24-L88 HydrophobicContact CD2-CD2 4.33Å
25	D	67.4	Low	70.5	Confident	105 Å²	105	67.5 Å²	67.5	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-59	-26.3	171.4	-70.7	-23.1	0	0	0	111.9	H21 L23 F27 K28	H21-D25 WeakPolarHBondContact O-CB 3.4Å; H21-D25 PolarHBondContact O-N 3.35Å; L23-D25 PolarHBondContact O-N 3.49Å; D25-F27 VanDerWaalsContact C-N 3.35Å; D25-K28 WeakPolarHBondContact O-CG 3.14Å
26	I	61.7	Low	72.6	Confident	97 Å²	97	66.1 Å²	66.1	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-69.6	-38	172.5	-57	176.3	0	0	0	110.4	L23 L24	L23-I26 HydrophobicContact CG-CD1 4.43Å; L23-I26 WeakPolarHBondContact O-CB 3.37Å; L23-I26 WeakPolarHBondContact O-CG1 3.49Å; L23-I26 PolarHBondContact O-N 3.47Å; L23-I26 VanDerWaalsContact O-N 3.09Å; L24-I26 PolarHBondContact O-N 3.22Å
27	F	66.6	Low	74.5	Confident	45 Å²	45	68.7 Å²	68.7	20%	0.197	35%	0.346	C	S	.	.	H	α-helix	trans	-85.8	-26.9	-176.2	-69.7	-70.6	0	0	0	113.1	L24 D25 M29 A34 F68 L88	L24-F27 HydrophobicContact CD2-CD2 4.5Å; L24-F27 CarbonylContact O-C 3.5Å; L24-F27 WeakPolarHBondContact O-CA 3.4Å; L24-F27 PolarHBondContact O-N 2.77Å; D25-F27 VanDerWaalsContact C-N 3.35Å; F27-M29 HydrophobicContact CB-CE 4.35Å; F27-M29 HydrophobicContact CB-CG 3.72Å; F27-M29 HydrophobicContact CB-SD 4.36Å; F27-M29 WeakPolarHBondContact O-CE 3.47Å; F27-M29 PolarHBondContact O-N 2.77Å; F27-A34 HydrophobicContact CB-CB 4.38Å; F27-A34 HydrophobicContact CD1-CB 4.41Å; F27-A34 HydrophobicContact CD2-CB 4.43Å; F27-A34 HydrophobicContact CG-CB 4.21Å; F27-F68 HydrophobicContact CE1-CD2 4.47Å; F27-F68 HydrophobicContact CE1-CE2 4.19Å; F27-F68 AromaticContact CE2-CE2 3.81Å; F27-F68 HydrophobicContact CE2-CE2 3.81Å; F27-F68 HydrophobicContact CE2-CZ 4.5Å; F27-F68 AromaticContact CZ-CD2 3.84Å; F27-F68 HydrophobicContact CZ-CD2 3.84Å; F27-F68 AromaticContact CZ-CE2 3.2Å; F27-F68 HydrophobicContact CZ-CE2 3.2Å; F27-F68 AromaticContact CZ-CZ 3.89Å; F27-F68 HydrophobicContact CZ-CZ 3.89Å; F27-L88 HydrophobicContact CE2-CD2 4.35Å
28	K	77.9	Confident	76.2	Confident	193 Å²	193	68.4 Å²	68.4	84%	0.839	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	35.5	-175.1	-57.4	-175	177.4	-175.8	0	113	L24 D25	L24-K28 PolarHBondContact O-N 3.32Å; D25-K28 WeakPolarHBondContact O-CG 3.14Å
29	M	82.3	Confident	78	Confident	45 Å²	45	69.7 Å²	69.7	22%	0.222	33%	0.334	C	S	.	.	S	Bend	trans	-149.4	163.5	-178.3	61.1	-173.5	78.5	0	0	110.2	F27 E33 A34 K37	F27-M29 HydrophobicContact CB-CE 4.35Å; F27-M29 HydrophobicContact CB-CG 3.72Å; F27-M29 HydrophobicContact CB-SD 4.36Å; F27-M29 WeakPolarHBondContact O-CE 3.47Å; F27-M29 PolarHBondContact O-N 2.77Å; M29-E33 HydrophobicContact CB-CB 4.23Å; M29-E33 HydrophobicContact CB-CG 4.36Å; M29-E33 HydrophobicContact CG-CB 4.43Å; M29-E33 HydrophobicContact SD-CB 4.37Å; M29-E33 HydrophobicContact SD-CG 4.1Å; M29-A34 HydrophobicContact CG-CB 3.86Å; M29-A34 WeakPolarHBondContact SD-CA 3.25Å; M29-A34 HydrophobicContact SD-CB 3.91Å; M29-K37 HydrophobicContact CE-CD 3.96Å; M29-K37 HydrophobicContact SD-CD 3.86Å
30	E	87.5	Confident	79.8	Confident	142 Å²	142	72.1 Å²	72.1	66%	0.664	34%	0.341	S	S	*	.			trans	-61.6	152.5	175.2	-71.6	-64.1	155.7	0	0	111.8	S32 E33 A34	E30-S32 PolarHBondContact O-N 2.86Å; E30-E33 HydrophobicContact CB-CB 4.49Å; E30-E33 PolarHBondContact O-N 3.37Å; E30-E33 VanDerWaalsContact O-N 3.09Å; E30-A34 PolarHBondContact O-N 2.75Å
31	K	87.3	Confident	81.4	Confident	39 Å²	39	74.3 Å²	74.3	17%	0.17	35%	0.351	C	S	.	.	H	α-helix	trans	-54.8	-41.3	179.8	-68.1	172.9	179.1	172.7	0	112	D20 L24 A35 E87 W91	D20-K31 WeakPolarHBondContact OD2-CE 3.5Å; D20-K31 IonicContact OD2-NZ 2.68Å; D20-K31 PolarHBondContact OD2-NZ 3.47Å; L24-K31 HydrophobicContact CD1-CD 4.15Å; L24-K31 HydrophobicContact CD1-CG 3.5Å; L24-K31 HydrophobicContact CD2-CG 3.88Å; L24-K31 HydrophobicContact CG-CG 4.3Å; K31-A35 VanDerWaalsContact O-CB 3.3Å; K31-A35 WeakPolarHBondContact O-CB 3.42Å; K31-A35 PolarHBondContact O-N 3.36Å; K31-E87 HydrophobicContact CD-CB 4.46Å; K31-W91 HydrophobicContact CB-CB 4.19Å; K31-W91 HydrophobicContact CB-CD2 4.07Å; K31-W91 HydrophobicContact CB-CG 3.67Å
32	S	90.7	Very high	83	Confident	47 Å²	47	70.8 Å²	70.8	33%	0.329	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-43.3	178.4	58	0	0	0	0	112.3	E30 A35 L36 G96	E30-S32 PolarHBondContact O-N 2.86Å; S32-A35 PolarHBondContact O-N 3.32Å; S32-L36 WeakPolarHBondContact O-CB 3.38Å; S32-L36 PolarHBondContact O-N 3.04Å; S32-G96 WeakPolarHBondContact O-CA 3.4Å
33	E	91.2	Very high	84.5	Confident	85 Å²	85	67.4 Å²	67.4	40%	0.397	33%	0.327	S	S	.	.	H	α-helix	trans	-69.2	-44.1	178.4	-169.6	-173.7	163.5	0	0	111.4	M29 E30 A35 L36 K37	M29-E33 HydrophobicContact CB-CB 4.23Å; M29-E33 HydrophobicContact CB-CG 4.36Å; M29-E33 HydrophobicContact CG-CB 4.43Å; M29-E33 HydrophobicContact SD-CB 4.37Å; M29-E33 HydrophobicContact SD-CG 4.1Å; E30-E33 HydrophobicContact CB-CB 4.49Å; E30-E33 PolarHBondContact O-N 3.37Å; E30-E33 VanDerWaalsContact O-N 3.09Å; E33-A35 VanDerWaalsContact C-N 3.3Å; E33-A35 PolarHBondContact O-N 2.6Å; E33-L36 PolarHBondContact O-N 3.4Å; E33-K37 PolarHBondContact O-N 3.05Å; E33-K37 VanDerWaalsContact OE1-CE 3.24Å; E33-K37 WeakPolarHBondContact OE1-CE 3.47Å; E33-K37 IonicContact OE1-NZ 2.67Å; E33-K37 PolarHBondContact OE1-NZ 2.94Å
34	A	89.2	Confident	86.2	Confident	2 Å²	2	70 Å²	70	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-56.8	-46.3	174.9	0	0	0	0	0	111.1	F27 M29 E30 K37 F38	F27-A34 HydrophobicContact CB-CB 4.38Å; F27-A34 HydrophobicContact CD1-CB 4.41Å; F27-A34 HydrophobicContact CD2-CB 4.43Å; F27-A34 HydrophobicContact CG-CB 4.21Å; M29-A34 HydrophobicContact CG-CB 3.86Å; M29-A34 WeakPolarHBondContact SD-CA 3.25Å; M29-A34 HydrophobicContact SD-CB 3.91Å; E30-A34 PolarHBondContact O-N 2.75Å; A34-K37 PolarHBondContact O-N 3.23Å; A34-F38 WeakPolarHBondContact O-CB 3.41Å; A34-F38 PolarHBondContact O-N 3.41Å
35	A	92.1	Very high	87.6	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-37.9	178.6	0	0	0	0	0	113.6	K31 S32 E33 F38 K39 W91 L92	K31-A35 VanDerWaalsContact O-CB 3.3Å; K31-A35 WeakPolarHBondContact O-CB 3.42Å; K31-A35 PolarHBondContact O-N 3.36Å; S32-A35 PolarHBondContact O-N 3.32Å; E33-A35 VanDerWaalsContact C-N 3.3Å; E33-A35 PolarHBondContact O-N 2.6Å; A35-F38 PolarHBondContact O-N 3.46Å; A35-K39 WeakPolarHBondContact O-CB 3.35Å; A35-K39 PolarHBondContact O-N 3.42Å; A35-W91 HydrophobicContact CB-CB 3.98Å; A35-W91 WeakPolarHBondContact CB-O 3.35Å; A35-L92 HydrophobicContact CB-CD2 4.42Å
36	L	93.5	Very high	89	Confident	82 Å²	82	71 Å²	71	43%	0.429	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-44.8	175.4	-177.7	61.6	0	0	0	111.5	S32 E33 F38 K39 Q40	S32-L36 WeakPolarHBondContact O-CB 3.38Å; S32-L36 PolarHBondContact O-N 3.04Å; E33-L36 PolarHBondContact O-N 3.4Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 2.69Å; L36-K39 WeakPolarHBondContact O-CB 3.37Å; L36-K39 PolarHBondContact O-N 3.03Å; L36-Q40 WeakPolarHBondContact O-CG 3.45Å; L36-Q40 PolarHBondContact O-N 3.13Å
37	K	92	Very high	90.7	Very high	93 Å²	93	71.2 Å²	71.2	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-39	175.9	-74.4	-176	-174.1	162.1	0	111.9	M29 E33 A34 Q40 F41	M29-K37 HydrophobicContact CE-CD 3.96Å; M29-K37 HydrophobicContact SD-CD 3.86Å; E33-K37 PolarHBondContact O-N 3.05Å; E33-K37 VanDerWaalsContact OE1-CE 3.24Å; E33-K37 WeakPolarHBondContact OE1-CE 3.47Å; E33-K37 IonicContact OE1-NZ 2.67Å; E33-K37 PolarHBondContact OE1-NZ 2.94Å; A34-K37 PolarHBondContact O-N 3.23Å; K37-Q40 PolarHBondContact O-N 3.42Å; K37-F41 WeakPolarHBondContact O-CB 3.36Å; K37-F41 PolarHBondContact O-N 3.32Å
38	F	92.1	Very high	92.1	Very high	36 Å²	36	71.3 Å²	71.3	16%	0.158	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-44.6	174.4	-176	-105.4	0	0	0	111.6	A34 A35 L36 Q40 F41 C42 F68 F69 L92	A34-F38 WeakPolarHBondContact O-CB 3.41Å; A34-F38 PolarHBondContact O-N 3.41Å; A35-F38 PolarHBondContact O-N 3.46Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 2.69Å; F38-Q40 PolarHBondContact O-N 3.34Å; F38-F41 WeakPolarHBondContact O-CB 3.35Å; F38-F41 PolarHBondContact O-N 3.03Å; F38-C42 PolarHBondContact O-N 3.43Å; F38-C42 PolarHBondContact O-SG 2.86Å; F38-C42 VanDerWaalsContact O-SG 3.36Å; F38-F68 HydrophobicContact CD2-CD1 4.07Å; F38-F68 AromaticContact CD2-CE1 3.81Å; F38-F68 HydrophobicContact CD2-CE1 3.81Å; F38-F68 AromaticContact CE2-CD1 3.5Å; F38-F68 HydrophobicContact CE2-CD1 3.5Å; F38-F68 VanDerWaalsContact CE2-CD1 3.5Å; F38-F68 AromaticContact CE2-CE1 3.43Å; F38-F68 HydrophobicContact CE2-CE1 3.43Å; F38-F68 VanDerWaalsContact CE2-CE1 3.43Å; F38-F68 HydrophobicContact CE2-CZ 4.49Å; F38-F68 HydrophobicContact CZ-CD1 4.28Å; F38-F68 AromaticContact CZ-CE1 3.97Å; F38-F68 HydrophobicContact CZ-CE1 3.97Å; F38-F69 HydrophobicContact CE2-CZ 4.38Å; F38-F69 HydrophobicContact CZ-CE1 4.08Å; F38-F69 HydrophobicContact CZ-CE2 4.44Å; F38-F69 AromaticContact CZ-CZ 3.66Å; F38-F69 HydrophobicContact CZ-CZ 3.66Å; F38-L92 HydrophobicContact CB-CD2 3.72Å; F38-L92 HydrophobicContact CD1-CD2 3.69Å; F38-L92 HydrophobicContact CD2-CD2 4.47Å; F38-L92 HydrophobicContact CE1-CD2 4.46Å; F38-L92 HydrophobicContact CG-CD2 3.69Å
39	K	94.7	Very high	92.9	Very high	91 Å²	91	64.8 Å²	64.8	40%	0.396	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-46.9	173.7	-179	-176.2	179.9	178.9	0	112.1	A35 L36 F41 C42 L43	A35-K39 WeakPolarHBondContact O-CB 3.35Å; A35-K39 PolarHBondContact O-N 3.42Å; L36-K39 WeakPolarHBondContact O-CB 3.37Å; L36-K39 PolarHBondContact O-N 3.03Å; K39-F41 VanDerWaalsContact C-N 3.3Å; K39-F41 PolarHBondContact O-N 2.86Å; K39-C42 PolarHBondContact O-N 2.97Å; K39-L43 HydrophobicContact CG-CD1 4.31Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 3.37Å
40	Q	95.4	Very high	93.5	Very high	112 Å²	112	67 Å²	67	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-40.5	177.5	-72.8	172.8	-17.4	0	0	111.9	L36 K37 F38 L43 L44	L36-Q40 WeakPolarHBondContact O-CG 3.45Å; L36-Q40 PolarHBondContact O-N 3.13Å; K37-Q40 PolarHBondContact O-N 3.42Å; F38-Q40 PolarHBondContact O-N 3.34Å; Q40-L43 PolarHBondContact O-N 2.88Å; Q40-L44 WeakPolarHBondContact O-CB 3.29Å; Q40-L44 PolarHBondContact O-N 3.43Å
41	F	95	Very high	93.9	Very high	46 Å²	46	62.9 Å²	62.9	20%	0.202	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-45.9	175.3	176.4	-91.7	0	0	0	111.8	K37 F38 K39 L43 L44 M45 M61 Q64 Q65	K37-F41 WeakPolarHBondContact O-CB 3.36Å; K37-F41 PolarHBondContact O-N 3.32Å; F38-F41 WeakPolarHBondContact O-CB 3.35Å; F38-F41 PolarHBondContact O-N 3.03Å; K39-F41 VanDerWaalsContact C-N 3.3Å; K39-F41 PolarHBondContact O-N 2.86Å; F41-L43 PolarHBondContact O-N 3.48Å; F41-L44 PolarHBondContact O-N 3.46Å; F41-M45 HydrophobicContact CD1-CG 4.32Å; F41-M45 HydrophobicContact CD1-SD 3.98Å; F41-M45 HydrophobicContact CE1-CG 3.95Å; F41-M45 HydrophobicContact CE1-SD 3.22Å; F41-M45 WeakPolarHBondContact CE1-SD 3.37Å; F41-M45 HydrophobicContact CZ-CG 4.16Å; F41-M45 HydrophobicContact CZ-SD 3.66Å; F41-M45 WeakPolarHBondContact O-CG 3.31Å; F41-M45 PolarHBondContact O-N 2.7Å; F41-M61 HydrophobicContact CD2-CE 3.85Å; F41-M61 HydrophobicContact CE2-CB 4.1Å; F41-M61 HydrophobicContact CE2-CE 3.75Å; F41-M61 HydrophobicContact CE2-CG 4.13Å; F41-M61 HydrophobicContact CG-CE 4.48Å; F41-M61 HydrophobicContact CZ-CB 3.92Å; F41-M61 HydrophobicContact CZ-CE 4.3Å; F41-M61 HydrophobicContact CZ-CG 4.45Å; F41-M61 WeakPolarHBondContact CZ-O 3.46Å; F41-Q64 HydrophobicContact CE2-CB 4.5Å; F41-Q64 HydrophobicContact CZ-CB 4.21Å; F41-Q65 HydrophobicContact CE1-CB 3.89Å; F41-Q65 HydrophobicContact CE1-CG 4.19Å; F41-Q65 HydrophobicContact CZ-CB 4.3Å
42	C	94.8	Very high	94.3	Very high	33 Å²	33	66.7 Å²	66.7	22%	0.223	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-44.1	176.3	-66.9	0	0	0	0	112.3	F38 K39 L44 M45 E46	F38-C42 PolarHBondContact O-N 3.43Å; F38-C42 PolarHBondContact O-SG 2.86Å; F38-C42 VanDerWaalsContact O-SG 3.36Å; K39-C42 PolarHBondContact O-N 2.97Å; C42-L44 VanDerWaalsContact C-N 3.35Å; C42-L44 PolarHBondContact O-N 3.04Å; C42-M45 WeakPolarHBondContact O-CB 3.5Å; C42-M45 PolarHBondContact O-N 3.13Å; C42-E46 PolarHBondContact O-N 2.88Å; C42-E46 VanDerWaalsContact O-N 3.08Å
43	L	96.2	Very high	94.6	Very high	95 Å²	95	69.9 Å²	69.9	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-41.1	177.1	-69.3	170.9	0	0	0	112.2	K39 Q40 F41 M45 E46 E47	K39-L43 HydrophobicContact CG-CD1 4.31Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 3.37Å; Q40-L43 PolarHBondContact O-N 2.88Å; F41-L43 PolarHBondContact O-N 3.48Å; L43-M45 VanDerWaalsContact C-N 3.31Å; L43-M45 PolarHBondContact O-N 3.34Å; L43-E46 PolarHBondContact O-N 3.04Å; L43-E47 PolarHBondContact O-N 3.08Å
44	L	96.9	Very high	94.9	Very high	64 Å²	64	68.4 Å²	68.4	34%	0.335	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-34.4	176.6	-175	64.3	0	0	0	111.9	Q40 F41 C42 E47 Y48 M61	Q40-L44 WeakPolarHBondContact O-CB 3.29Å; Q40-L44 PolarHBondContact O-N 3.43Å; F41-L44 PolarHBondContact O-N 3.46Å; C42-L44 VanDerWaalsContact C-N 3.35Å; C42-L44 PolarHBondContact O-N 3.04Å; L44-E47 PolarHBondContact O-N 2.85Å; L44-Y48 HydrophobicContact CD1-CD1 4Å; L44-Y48 HydrophobicContact CD1-CE1 3.58Å; L44-Y48 HydrophobicContact CG-CD1 4.49Å; L44-Y48 HydrophobicContact CG-CE1 4.29Å; L44-Y48 WeakPolarHBondContact O-CB 3.3Å; L44-Y48 PolarHBondContact O-N 3.38Å; L44-M61 HydrophobicContact CB-CE 3.88Å; L44-M61 HydrophobicContact CD2-CE 3.79Å; L44-M61 HydrophobicContact CD2-SD 4.45Å; L44-M61 HydrophobicContact CG-CE 3.75Å; L44-M61 HydrophobicContact CG-SD 4.37Å
45	M	96.2	Very high	95.2	Very high	10 Å²	10	70.6 Å²	70.6	5%	0.049	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-45	173.2	-75.3	-168.7	66.9	0	0	111.6	F41 C42 L43 E47 Y48 A49 Y58 M61 Q62 Q65	F41-M45 HydrophobicContact CD1-CG 4.32Å; F41-M45 HydrophobicContact CD1-SD 3.98Å; F41-M45 HydrophobicContact CE1-CG 3.95Å; F41-M45 HydrophobicContact CE1-SD 3.22Å; F41-M45 WeakPolarHBondContact CE1-SD 3.37Å; F41-M45 HydrophobicContact CZ-CG 4.16Å; F41-M45 HydrophobicContact CZ-SD 3.66Å; F41-M45 WeakPolarHBondContact O-CG 3.31Å; F41-M45 PolarHBondContact O-N 2.7Å; C42-M45 WeakPolarHBondContact O-CB 3.5Å; C42-M45 PolarHBondContact O-N 3.13Å; L43-M45 VanDerWaalsContact C-N 3.31Å; L43-M45 PolarHBondContact O-N 3.34Å; M45-E47 VanDerWaalsContact C-N 3.33Å; M45-E47 PolarHBondContact O-N 3.48Å; M45-Y48 PolarHBondContact O-N 2.85Å; M45-A49 WeakPolarHBondContact O-CB 2.99Å; M45-A49 PolarHBondContact O-N 3.49Å; M45-Y58 HydrophobicContact CB-CE2 4.42Å; M45-Y58 HydrophobicContact CE-CE2 4.07Å; M45-Y58 WeakPolarHBondContact O-CD2 3.49Å; M45-Y58 WeakPolarHBondContact O-CE2 3.36Å; M45-M61 HydrophobicContact CB-CE 4.31Å; M45-M61 HydrophobicContact CE-CB 4.29Å; M45-M61 HydrophobicContact CG-CB 3.81Å; M45-M61 HydrophobicContact CG-CE 3.4Å; M45-M61 VanDerWaalsContact CG-CE 3.4Å; M45-M61 HydrophobicContact CG-SD 4.16Å; M45-M61 HydrophobicContact SD-CB 4.13Å; M45-Q62 HydrophobicContact CE-CB 4.24Å; M45-Q62 HydrophobicContact CE-CG 3.54Å; M45-Q65 HydrophobicContact SD-CB 4.11Å; M45-Q65 HydrophobicContact SD-CG 4.36Å
46	E	95.6	Very high	95.5	Very high	135 Å²	135	80.7 Å²	80.7	63%	0.631	41%	0.413	S	S	*	.	H	α-helix	trans	-60.5	-43.1	176.2	-71.6	174.9	-178.8	0	0	111.5	C42 L43 A49	C42-E46 PolarHBondContact O-N 2.88Å; C42-E46 VanDerWaalsContact O-N 3.08Å; L43-E46 PolarHBondContact O-N 3.04Å; E46-A49 PolarHBondContact O-N 2.82Å
47	E	96.8	Very high	95.7	Very high	100 Å²	100	80.7 Å²	80.7	47%	0.467	41%	0.411	S	S	.	.	H	α-helix	trans	-58.6	-52.6	174.8	-176.4	-174.9	166.9	0	0	111.3	L43 L44 M45 A49 S50 Q51	L43-E47 PolarHBondContact O-N 3.08Å; L44-E47 PolarHBondContact O-N 2.85Å; M45-E47 VanDerWaalsContact C-N 3.33Å; M45-E47 PolarHBondContact O-N 3.48Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 2.76Å; E47-S50 PolarHBondContact O-N 3.13Å; E47-S50 VanDerWaalsContact O-N 3.17Å; E47-S50 PolarHBondContact O-OG 2.96Å; E47-Q51 PolarHBondContact OE1-NE2 3.41Å
48	Y	97.2	Very high	95.9	Very high	47 Å²	47	79.4 Å²	79.4	18%	0.184	40%	0.404	C	S	.	.	H	α-helix	trans	-67.3	-29.7	-177.9	-78.2	13.7	0	0	0	113.1	L44 M45 S50 Q51 K54 Q57 M61	L44-Y48 HydrophobicContact CD1-CD1 4Å; L44-Y48 HydrophobicContact CD1-CE1 3.58Å; L44-Y48 HydrophobicContact CG-CD1 4.49Å; L44-Y48 HydrophobicContact CG-CE1 4.29Å; L44-Y48 WeakPolarHBondContact O-CB 3.3Å; L44-Y48 PolarHBondContact O-N 3.38Å; M45-Y48 PolarHBondContact O-N 2.85Å; Y48-S50 PolarHBondContact O-N 3.26Å; Y48-Q51 PolarHBondContact O-N 3.01Å; Y48-Q51 VanDerWaalsContact O-N 3.09Å; Y48-K54 HydrophobicContact CD1-CB 4.22Å; Y48-K54 HydrophobicContact CD1-CD 4.39Å; Y48-K54 HydrophobicContact CD1-CG 3.98Å; Y48-K54 HydrophobicContact CD2-CB 4.11Å; Y48-K54 HydrophobicContact CE1-CD 4.12Å; Y48-K54 HydrophobicContact CE1-CG 4.2Å; Y48-K54 HydrophobicContact CE2-CD 4.39Å; Y48-K54 HydrophobicContact CG-CB 3.86Å; Y48-K54 HydrophobicContact CG-CG 4.14Å; Y48-Q57 HydrophobicContact CD2-CB 3.62Å; Y48-Q57 HydrophobicContact CE2-CB 3.56Å; Y48-Q57 HydrophobicContact CE2-CG 4.17Å; Y48-M61 HydrophobicContact CD2-SD 3.61Å; Y48-M61 HydrophobicContact CE2-SD 4.01Å; Y48-M61 HydrophobicContact CG-SD 4.42Å
49	A	95.3	Very high	96.2	Very high	57 Å²	57	82.2 Å²	82.2	47%	0.471	42%	0.418	S	S	.	.	H	α-helix	trans	-59.1	-29.4	175.2	0	0	0	0	0	112.3	M45 E46 E47 Y58	M45-A49 WeakPolarHBondContact O-CB 2.99Å; M45-A49 PolarHBondContact O-N 3.49Å; E46-A49 PolarHBondContact O-N 2.82Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 2.76Å; A49-Y58 HydrophobicContact CB-CD2 4Å; A49-Y58 HydrophobicContact CB-CE2 3.55Å
50	S	93.9	Very high	96.3	Very high	92 Å²	92	80.5 Å²	80.5	64%	0.643	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-3.7	179	71.4	0	0	0	0	114.8	E47 Y48	E47-S50 PolarHBondContact O-N 3.13Å; E47-S50 VanDerWaalsContact O-N 3.17Å; E47-S50 PolarHBondContact O-OG 2.96Å; Y48-S50 PolarHBondContact O-N 3.26Å
51	Q	96.2	Very high	96.4	Very high	54 Å²	54	75.9 Å²	75.9	25%	0.252	40%	0.396	S	S	.	.			trans	-116.6	107	-171.8	-69.6	-178.5	30	0	0	111.4	E47 Y48 D53 K54	E47-Q51 PolarHBondContact OE1-NE2 3.41Å; Y48-Q51 PolarHBondContact O-N 3.01Å; Y48-Q51 VanDerWaalsContact O-N 3.09Å; Q51-D53 VanDerWaalsContact C-N 3.25Å; Q51-D53 PolarHBondContact O-N 2.67Å; Q51-K54 HydrophobicContact CB-CB 3.99Å; Q51-K54 HydrophobicContact CB-CG 3.69Å; Q51-K54 PolarHBondContact O-N 2.84Å; Q51-K54 VanDerWaalsContact OE1-CG 3.31Å
52	P	95.3	Very high	96.4	Very high	120 Å²	120	77.1 Å²	77.1	78%	0.779	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-58.5	-32.5	-178.7	-26.6	35.1	0	0	0	114.5	K54 A55	P52-K54 PolarHBondContact O-N 2.85Å; P52-A55 WeakPolarHBondContact O-CB 3.37Å; P52-A55 PolarHBondContact O-N 3.26Å
53	D	97.6	Very high	96.5	Very high	114 Å²	114	83 Å²	83	61%	0.61	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-71.4	-14.8	177.5	64.7	-61.4	0	0	0	113.3	Q51	Q51-D53 VanDerWaalsContact C-N 3.25Å; Q51-D53 PolarHBondContact O-N 2.67Å
54	K	97.6	Very high	96.3	Very high	53 Å²	53	83.5 Å²	83.5	23%	0.23	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-99.1	6.8	177.8	-57.9	-64.7	179.3	170.2	0	114	Y48 Q51 P52 R56 Q57 Y58	Y48-K54 HydrophobicContact CD1-CB 4.22Å; Y48-K54 HydrophobicContact CD1-CD 4.39Å; Y48-K54 HydrophobicContact CD1-CG 3.98Å; Y48-K54 HydrophobicContact CD2-CB 4.11Å; Y48-K54 HydrophobicContact CE1-CD 4.12Å; Y48-K54 HydrophobicContact CE1-CG 4.2Å; Y48-K54 HydrophobicContact CE2-CD 4.39Å; Y48-K54 HydrophobicContact CG-CB 3.86Å; Y48-K54 HydrophobicContact CG-CG 4.14Å; Q51-K54 HydrophobicContact CB-CB 3.99Å; Q51-K54 HydrophobicContact CB-CG 3.69Å; Q51-K54 PolarHBondContact O-N 2.84Å; Q51-K54 VanDerWaalsContact OE1-CG 3.31Å; P52-K54 PolarHBondContact O-N 2.85Å; K54-R56 VanDerWaalsContact C-N 3.26Å; K54-R56 PolarHBondContact O-N 2.59Å; K54-R56 VanDerWaalsContact O-N 3.11Å; K54-Q57 WeakPolarHBondContact O-CB 3.09Å; K54-Q57 PolarHBondContact O-N 3.1Å; K54-Q57 PolarHBondContact O-OE1 3.42Å; K54-Y58 PolarHBondContact O-N 3.17Å
55	A	95.9	Very high	96.1	Very high	48 Å²	48	82.7 Å²	82.7	40%	0.397	41%	0.414	S	S	.	.	H	α-helix	trans	-50.9	-42.3	-173.6	0	0	0	0	0	113.6	P52 Y58 E59	P52-A55 WeakPolarHBondContact O-CB 3.37Å; P52-A55 PolarHBondContact O-N 3.26Å; A55-Y58 PolarHBondContact O-N 3.39Å; A55-E59 WeakPolarHBondContact O-CG 3.42Å; A55-E59 PolarHBondContact O-N 2.72Å
56	R	97.3	Very high	95.9	Very high	212 Å²	212	87 Å²	87	80%	0.8	44%	0.438	S	S	*	.	H	α-helix	trans	-67.4	-39.7	178.4	-69.3	-175.1	-179.3	173.5	1.4	112.9	K54 S60	K54-R56 VanDerWaalsContact C-N 3.26Å; K54-R56 PolarHBondContact O-N 2.59Å; K54-R56 VanDerWaalsContact O-N 3.11Å; R56-S60 PolarHBondContact O-N 2.68Å; R56-S60 VanDerWaalsContact O-N 3.08Å
57	Q	97.4	Very high	95.6	Very high	83 Å²	83	87.4 Å²	87.4	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-67.4	-43.4	177.2	-66.5	86.3	-27.1	0	0	109.9	Y48 K54 S60 M61	Y48-Q57 HydrophobicContact CD2-CB 3.62Å; Y48-Q57 HydrophobicContact CE2-CB 3.56Å; Y48-Q57 HydrophobicContact CE2-CG 4.17Å; K54-Q57 WeakPolarHBondContact O-CB 3.09Å; K54-Q57 PolarHBondContact O-N 3.1Å; K54-Q57 PolarHBondContact O-OE1 3.42Å; Q57-S60 WeakPolarHBondContact O-CB 3.49Å; Q57-S60 PolarHBondContact O-N 3.49Å; Q57-S60 VanDerWaalsContact O-N 3.17Å; Q57-M61 VanDerWaalsContact O-CG 3.28Å; Q57-M61 WeakPolarHBondContact O-CG 3.14Å; Q57-M61 PolarHBondContact O-N 3.18Å
58	Y	97	Very high	95.1	Very high	65 Å²	65	84.4 Å²	84.4	26%	0.255	42%	0.423	S	S	.	.	H	α-helix	trans	-57.5	-49.4	175.2	-179	-109.7	0	0	0	111.9	M45 A49 K54 A55 S60 M61 Q62	M45-Y58 HydrophobicContact CB-CE2 4.42Å; M45-Y58 HydrophobicContact CE-CE2 4.07Å; M45-Y58 WeakPolarHBondContact O-CD2 3.49Å; M45-Y58 WeakPolarHBondContact O-CE2 3.36Å; A49-Y58 HydrophobicContact CB-CD2 4Å; A49-Y58 HydrophobicContact CB-CE2 3.55Å; K54-Y58 PolarHBondContact O-N 3.17Å; A55-Y58 PolarHBondContact O-N 3.39Å; Y58-S60 VanDerWaalsContact C-N 3.29Å; Y58-S60 PolarHBondContact O-N 3.16Å; Y58-M61 WeakPolarHBondContact O-CB 3.44Å; Y58-M61 PolarHBondContact O-N 3.31Å; Y58-M61 VanDerWaalsContact O-N 3.1Å; Y58-Q62 HydrophobicContact CD1-CG 4.41Å; Y58-Q62 HydrophobicContact CE1-CG 4.01Å; Y58-Q62 HydrophobicContact CE2-CG 4.26Å; Y58-Q62 WeakPolarHBondContact O-CG 3.5Å; Y58-Q62 PolarHBondContact O-N 3.24Å; Y58-Q62 PolarHBondContact OH-NE2 3.32Å
59	E	97.5	Very high	94.5	Very high	96 Å²	96	85.3 Å²	85.3	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-58.4	-39.5	175	-76.5	179.1	-164.5	0	0	112.7	A55 Q62 R63	A55-E59 WeakPolarHBondContact O-CG 3.42Å; A55-E59 PolarHBondContact O-N 2.72Å; E59-Q62 PolarHBondContact O-N 3.22Å; E59-R63 WeakPolarHBondContact O-CG 3.11Å; E59-R63 PolarHBondContact O-N 2.96Å; E59-R63 IonicContact OE2-NH2 3.85Å
60	S	97.3	Very high	93.9	Very high	55 Å²	55	87.5 Å²	87.5	39%	0.385	43%	0.431	S	S	.	.	H	α-helix	trans	-63.5	-42.7	175.8	-178.8	0	0	0	0	111.6	R56 Q57 Y58 R63 Q64	R56-S60 PolarHBondContact O-N 2.68Å; R56-S60 VanDerWaalsContact O-N 3.08Å; Q57-S60 WeakPolarHBondContact O-CB 3.49Å; Q57-S60 PolarHBondContact O-N 3.49Å; Q57-S60 VanDerWaalsContact O-N 3.17Å; Y58-S60 VanDerWaalsContact C-N 3.29Å; Y58-S60 PolarHBondContact O-N 3.16Å; S60-R63 PolarHBondContact O-N 3.36Å; S60-Q64 WeakPolarHBondContact O-CG 3.37Å; S60-Q64 PolarHBondContact O-N 3.49Å; S60-Q64 VanDerWaalsContact O-N 3.14Å
61	M	96.9	Very high	93.3	Very high	15 Å²	15	88.9 Å²	88.9	7%	0.074	43%	0.425	C	S	.	.	H	α-helix	trans	-65.5	-44	177.5	-67.5	175.2	79.5	0	0	111.3	F41 L44 M45 Y48 Q57 Y58 R63 Q64 Q65	F41-M61 HydrophobicContact CD2-CE 3.85Å; F41-M61 HydrophobicContact CE2-CB 4.1Å; F41-M61 HydrophobicContact CE2-CE 3.75Å; F41-M61 HydrophobicContact CE2-CG 4.13Å; F41-M61 HydrophobicContact CG-CE 4.48Å; F41-M61 HydrophobicContact CZ-CB 3.92Å; F41-M61 HydrophobicContact CZ-CE 4.3Å; F41-M61 HydrophobicContact CZ-CG 4.45Å; F41-M61 WeakPolarHBondContact CZ-O 3.46Å; L44-M61 HydrophobicContact CB-CE 3.88Å; L44-M61 HydrophobicContact CD2-CE 3.79Å; L44-M61 HydrophobicContact CD2-SD 4.45Å; L44-M61 HydrophobicContact CG-CE 3.75Å; L44-M61 HydrophobicContact CG-SD 4.37Å; M45-M61 HydrophobicContact CB-CE 4.31Å; M45-M61 HydrophobicContact CE-CB 4.29Å; M45-M61 HydrophobicContact CG-CB 3.81Å; M45-M61 HydrophobicContact CG-CE 3.4Å; M45-M61 VanDerWaalsContact CG-CE 3.4Å; M45-M61 HydrophobicContact CG-SD 4.16Å; M45-M61 HydrophobicContact SD-CB 4.13Å; Y48-M61 HydrophobicContact CD2-SD 3.61Å; Y48-M61 HydrophobicContact CE2-SD 4.01Å; Y48-M61 HydrophobicContact CG-SD 4.42Å; Q57-M61 VanDerWaalsContact O-CG 3.28Å; Q57-M61 WeakPolarHBondContact O-CG 3.14Å; Q57-M61 PolarHBondContact O-N 3.18Å; Y58-M61 WeakPolarHBondContact O-CB 3.44Å; Y58-M61 PolarHBondContact O-N 3.31Å; Y58-M61 VanDerWaalsContact O-N 3.1Å; M61-R63 VanDerWaalsContact C-N 3.29Å; M61-R63 PolarHBondContact O-N 3.25Å; M61-Q64 WeakPolarHBondContact O-CA 3.39Å; M61-Q64 WeakPolarHBondContact O-CB 3.5Å; M61-Q64 PolarHBondContact O-N 3.42Å; M61-Q65 PolarHBondContact O-N 2.8Å
62	Q	96.1	Very high	92.5	Very high	72 Å²	72	86.8 Å²	86.8	34%	0.336	42%	0.416	S	S	.	.	H	α-helix	trans	-53.8	-46.7	174.4	-71.8	-177	-57.1	0	0	111.5	M45 Y58 E59 Q64 Q65 D66	M45-Q62 HydrophobicContact CE-CB 4.24Å; M45-Q62 HydrophobicContact CE-CG 3.54Å; Y58-Q62 HydrophobicContact CD1-CG 4.41Å; Y58-Q62 HydrophobicContact CE1-CG 4.01Å; Y58-Q62 HydrophobicContact CE2-CG 4.26Å; Y58-Q62 WeakPolarHBondContact O-CG 3.5Å; Y58-Q62 PolarHBondContact O-N 3.24Å; Y58-Q62 PolarHBondContact OH-NE2 3.32Å; E59-Q62 PolarHBondContact O-N 3.22Å; Q62-Q64 VanDerWaalsContact C-N 3.28Å; Q62-Q64 PolarHBondContact O-N 3.11Å; Q62-Q65 WeakPolarHBondContact O-CB 3.26Å; Q62-Q65 PolarHBondContact O-N 3.16Å; Q62-Q65 VanDerWaalsContact O-N 3.15Å; Q62-D66 VanDerWaalsContact O-CG 3.31Å; Q62-D66 PolarHBondContact O-N 3.47Å
63	R	96.2	Very high	91.6	Very high	156 Å²	156	86.9 Å²	86.9	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-62.6	-33.2	176.5	-66.2	175.9	-162.4	173.3	8.8	113.4	E59 S60 M61 K67	E59-R63 WeakPolarHBondContact O-CG 3.11Å; E59-R63 PolarHBondContact O-N 2.96Å; E59-R63 IonicContact OE2-NH2 3.85Å; S60-R63 PolarHBondContact O-N 3.36Å; M61-R63 VanDerWaalsContact C-N 3.29Å; M61-R63 PolarHBondContact O-N 3.25Å; R63-K67 WeakPolarHBondContact O-CB 3.41Å; R63-K67 VanDerWaalsContact O-CG 3.25Å; R63-K67 WeakPolarHBondContact O-CG 3.28Å; R63-K67 PolarHBondContact O-N 2.96Å
64	Q	92.6	Very high	90.6	Very high	106 Å²	106	86.2 Å²	86.2	50%	0.495	40%	0.4	S	S	.	.	H	α-helix	trans	-71.3	-41	175.9	-68.8	175	25.5	0	0	111	F41 S60 M61 Q62 K67 F68	F41-Q64 HydrophobicContact CE2-CB 4.5Å; F41-Q64 HydrophobicContact CZ-CB 4.21Å; S60-Q64 WeakPolarHBondContact O-CG 3.37Å; S60-Q64 PolarHBondContact O-N 3.49Å; S60-Q64 VanDerWaalsContact O-N 3.14Å; M61-Q64 WeakPolarHBondContact O-CA 3.39Å; M61-Q64 WeakPolarHBondContact O-CB 3.5Å; M61-Q64 PolarHBondContact O-N 3.42Å; Q62-Q64 VanDerWaalsContact C-N 3.28Å; Q62-Q64 PolarHBondContact O-N 3.11Å; Q64-K67 PolarHBondContact O-N 3.06Å; Q64-F68 WeakPolarHBondContact O-CB 3.35Å; Q64-F68 PolarHBondContact O-N 3.29Å
65	Q	92.2	Very high	89.2	Confident	46 Å²	46	85 Å²	85	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-48.2	175.3	-164.6	-178.7	41.9	0	0	111.4	F41 M45 M61 Q62 K67 F68 F69	F41-Q65 HydrophobicContact CE1-CB 3.89Å; F41-Q65 HydrophobicContact CE1-CG 4.19Å; F41-Q65 HydrophobicContact CZ-CB 4.3Å; M45-Q65 HydrophobicContact SD-CB 4.11Å; M45-Q65 HydrophobicContact SD-CG 4.36Å; M61-Q65 PolarHBondContact O-N 2.8Å; Q62-Q65 WeakPolarHBondContact O-CB 3.26Å; Q62-Q65 PolarHBondContact O-N 3.16Å; Q62-Q65 VanDerWaalsContact O-N 3.15Å; Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 3.44Å; Q65-F68 WeakPolarHBondContact O-CB 3.47Å; Q65-F68 PolarHBondContact O-N 3.5Å; Q65-F68 VanDerWaalsContact O-N 3.09Å; Q65-F69 HydrophobicContact CG-CD2 3.71Å; Q65-F69 HydrophobicContact CG-CE2 3.44Å; Q65-F69 VanDerWaalsContact CG-CE2 3.44Å; Q65-F69 WeakPolarHBondContact O-CD2 3.11Å; Q65-F69 PolarHBondContact O-N 3Å
66	D	91.5	Very high	87.9	Confident	101 Å²	101	83.7 Å²	83.7	54%	0.54	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-43.7	177.8	-69.9	-22.4	0	0	0	111.5	Q62 F68 F69 L70	Q62-D66 VanDerWaalsContact O-CG 3.31Å; Q62-D66 PolarHBondContact O-N 3.47Å; D66-F68 VanDerWaalsContact C-N 3.33Å; D66-F68 PolarHBondContact O-N 3.33Å; D66-F69 PolarHBondContact O-N 3.25Å; D66-L70 VanDerWaalsContact O-CB 3.23Å; D66-L70 WeakPolarHBondContact O-CB 3.17Å; D66-L70 PolarHBondContact O-N 2.91Å
67	K	88.9	Confident	86	Confident	144 Å²	144	80.5 Å²	80.5	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-64.4	-37.9	175.8	-76.8	176.2	-177.7	-178.9	0	112.4	R63 Q64 Q65 K71	R63-K67 WeakPolarHBondContact O-CB 3.41Å; R63-K67 VanDerWaalsContact O-CG 3.25Å; R63-K67 WeakPolarHBondContact O-CG 3.28Å; R63-K67 PolarHBondContact O-N 2.96Å; Q64-K67 PolarHBondContact O-N 3.06Å; Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 3.44Å; K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 2.85Å; K67-K71 VanDerWaalsContact O-N 3.15Å
68	F	86.4	Confident	83.9	Confident	36 Å²	36	86.2 Å²	86.2	16%	0.158	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-52.7	176.3	169.2	-109.5	0	0	0	110.7	F27 F38 Q64 Q65 D66 L70 K71 L72 L92	F27-F68 HydrophobicContact CE1-CD2 4.47Å; F27-F68 HydrophobicContact CE1-CE2 4.19Å; F27-F68 AromaticContact CE2-CE2 3.81Å; F27-F68 HydrophobicContact CE2-CE2 3.81Å; F27-F68 HydrophobicContact CE2-CZ 4.5Å; F27-F68 AromaticContact CZ-CD2 3.84Å; F27-F68 HydrophobicContact CZ-CD2 3.84Å; F27-F68 AromaticContact CZ-CE2 3.2Å; F27-F68 HydrophobicContact CZ-CE2 3.2Å; F27-F68 AromaticContact CZ-CZ 3.89Å; F27-F68 HydrophobicContact CZ-CZ 3.89Å; F38-F68 HydrophobicContact CD2-CD1 4.07Å; F38-F68 AromaticContact CD2-CE1 3.81Å; F38-F68 HydrophobicContact CD2-CE1 3.81Å; F38-F68 AromaticContact CE2-CD1 3.5Å; F38-F68 HydrophobicContact CE2-CD1 3.5Å; F38-F68 VanDerWaalsContact CE2-CD1 3.5Å; F38-F68 AromaticContact CE2-CE1 3.43Å; F38-F68 HydrophobicContact CE2-CE1 3.43Å; F38-F68 VanDerWaalsContact CE2-CE1 3.43Å; F38-F68 HydrophobicContact CE2-CZ 4.49Å; F38-F68 HydrophobicContact CZ-CD1 4.28Å; F38-F68 AromaticContact CZ-CE1 3.97Å; F38-F68 HydrophobicContact CZ-CE1 3.97Å; Q64-F68 WeakPolarHBondContact O-CB 3.35Å; Q64-F68 PolarHBondContact O-N 3.29Å; Q65-F68 WeakPolarHBondContact O-CB 3.47Å; Q65-F68 PolarHBondContact O-N 3.5Å; Q65-F68 VanDerWaalsContact O-N 3.09Å; D66-F68 VanDerWaalsContact C-N 3.33Å; D66-F68 PolarHBondContact O-N 3.33Å; F68-L70 PolarHBondContact O-N 3.1Å; F68-K71 PolarHBondContact O-N 2.95Å; F68-L72 HydrophobicContact CE1-CD2 4.32Å; F68-L72 HydrophobicContact CZ-CD2 4.16Å; F68-L72 PolarHBondContact O-N 2.91Å; F68-L92 HydrophobicContact CZ-CD1 4.08Å
69	F	85.5	Confident	81.8	Confident	66 Å²	66	90.3 Å²	90.3	29%	0.289	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-41.4	179.1	-75.5	-55	0	0	0	112.2	F38 Q65 D66 K71 L72 F73	F38-F69 HydrophobicContact CE2-CZ 4.38Å; F38-F69 HydrophobicContact CZ-CE1 4.08Å; F38-F69 HydrophobicContact CZ-CE2 4.44Å; F38-F69 AromaticContact CZ-CZ 3.66Å; F38-F69 HydrophobicContact CZ-CZ 3.66Å; Q65-F69 HydrophobicContact CG-CD2 3.71Å; Q65-F69 HydrophobicContact CG-CE2 3.44Å; Q65-F69 VanDerWaalsContact CG-CE2 3.44Å; Q65-F69 WeakPolarHBondContact O-CD2 3.11Å; Q65-F69 PolarHBondContact O-N 3Å; D66-F69 PolarHBondContact O-N 3.25Å; F69-K71 VanDerWaalsContact C-N 3.3Å; F69-K71 PolarHBondContact O-N 3.03Å; F69-L72 HydrophobicContact CD1-CD2 4.36Å; F69-L72 CarbonylContact O-C 3.53Å; F69-L72 PolarHBondContact O-N 3.16Å; F69-L72 VanDerWaalsContact O-N 3.15Å; F69-F73 HydrophobicContact CB-CD2 4.1Å; F69-F73 HydrophobicContact CB-CE2 4.08Å; F69-F73 HydrophobicContact CD1-CE2 4.36Å; F69-F73 WeakPolarHBondContact O-CB 3.32Å; F69-F73 WeakPolarHBondContact O-CD2 3.36Å; F69-F73 PolarHBondContact O-N 3.35Å
70	L	83.6	Confident	79.6	Confident	103 Å²	103	90.9 Å²	90.9	54%	0.539	43%	0.431	S	S	.	.	H	α-helix	trans	-57.1	-44.7	175.4	-179.5	63	0	0	0	111.4	D66 F68 F73 L74	D66-L70 VanDerWaalsContact O-CB 3.23Å; D66-L70 WeakPolarHBondContact O-CB 3.17Å; D66-L70 PolarHBondContact O-N 2.91Å; F68-L70 PolarHBondContact O-N 3.1Å; L70-F73 PolarHBondContact O-N 2.86Å; L70-L74 HydrophobicContact CD1-CD1 3.96Å; L70-L74 HydrophobicContact CD1-CG 4.06Å; L70-L74 HydrophobicContact CG-CD1 3.87Å; L70-L74 HydrophobicContact CG-CG 4.37Å; L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.12Å
71	K	80.4	Confident	77.6	Confident	121 Å²	121	94.8 Å²	94.8	53%	0.526	44%	0.443	S	S	.	.	H	α-helix	trans	-64.7	-42.3	176.2	-75.5	-179.2	178.1	-174.4	0	112.4	K67 F68 F69 S75	K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 2.85Å; K67-K71 VanDerWaalsContact O-N 3.15Å; F68-K71 PolarHBondContact O-N 2.95Å; F69-K71 VanDerWaalsContact C-N 3.3Å; F69-K71 PolarHBondContact O-N 3.03Å; K71-S75 WeakPolarHBondContact O-CB 3.44Å; K71-S75 PolarHBondContact O-N 3.34Å; K71-S75 PolarHBondContact O-OG 2.94Å
72	L	78.5	Confident	75.7	Confident	10 Å²	10	97.2 Å²	97.2	5%	0.052	46%	0.46	C	S	.	.	H	α-helix	trans	-61.6	-49.4	176.1	-177.2	64.6	0	0	0	110.5	L23 F68 F69 S75 M76 L92	L23-L72 HydrophobicContact CD2-CD1 3.35Å; F68-L72 HydrophobicContact CE1-CD2 4.32Å; F68-L72 HydrophobicContact CZ-CD2 4.16Å; F68-L72 PolarHBondContact O-N 2.91Å; F69-L72 HydrophobicContact CD1-CD2 4.36Å; F69-L72 CarbonylContact O-C 3.53Å; F69-L72 PolarHBondContact O-N 3.16Å; F69-L72 VanDerWaalsContact O-N 3.15Å; L72-S75 WeakPolarHBondContact O-CB 3.19Å; L72-S75 PolarHBondContact O-N 2.93Å; L72-S75 VanDerWaalsContact O-N 3.17Å; L72-S75 PolarHBondContact O-OG 3.44Å; L72-M76 HydrophobicContact CD1-SD 4.39Å; L72-M76 HydrophobicContact CD2-CE 4.48Å; L72-M76 HydrophobicContact CG-CE 3.92Å; L72-M76 HydrophobicContact CG-SD 4.19Å; L72-M76 VanDerWaalsContact O-CG 3.31Å; L72-M76 WeakPolarHBondContact O-CG 3.15Å; L72-M76 PolarHBondContact O-N 3.36Å; L72-L92 HydrophobicContact CD2-CD1 4.29Å
73	F	77.7	Confident	74	Confident	122 Å²	122	98.3 Å²	98.3	54%	0.535	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-45.2	178.3	-77.5	-66.1	0	0	0	112.9	F69 L70 S75 M76 E77	F69-F73 HydrophobicContact CB-CD2 4.1Å; F69-F73 HydrophobicContact CB-CE2 4.08Å; F69-F73 HydrophobicContact CD1-CE2 4.36Å; F69-F73 WeakPolarHBondContact O-CB 3.32Å; F69-F73 WeakPolarHBondContact O-CD2 3.36Å; F69-F73 PolarHBondContact O-N 3.35Å; L70-F73 PolarHBondContact O-N 2.86Å; F73-S75 PolarHBondContact O-N 3.23Å; F73-M76 HydrophobicContact CB-CE 4.35Å; F73-M76 HydrophobicContact CD1-CE 3.22Å; F73-M76 HydrophobicContact CE1-CE 3.51Å; F73-M76 HydrophobicContact CG-CE 3.86Å; F73-M76 HydrophobicContact CZ-CE 4.35Å; F73-M76 CarbonylContact O-C 3.58Å; F73-M76 WeakPolarHBondContact O-CA 3.18Å; F73-M76 PolarHBondContact O-N 2.98Å; F73-E77 PolarHBondContact O-N 3.15Å
74	L	76.2	Confident	72.5	Confident	101 Å²	101	91.6 Å²	91.6	53%	0.529	44%	0.44	S	S	.	.	H	α-helix	trans	-61.3	-29.6	175.7	-71.9	172.8	0	0	0	112.5	L70	L70-L74 HydrophobicContact CD1-CD1 3.96Å; L70-L74 HydrophobicContact CD1-CG 4.06Å; L70-L74 HydrophobicContact CG-CD1 3.87Å; L70-L74 HydrophobicContact CG-CG 4.37Å; L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.12Å
75	S	68.1	Low	71.7	Confident	27 Å²	27	87 Å²	87	19%	0.189	42%	0.419	C	S	.	.	H	α-helix	trans	-75.3	-28.5	173.1	75.5	0	0	0	0	113.2	L23 K71 L72 F73 H85	L23-S75 WeakPolarHBondContact CD1-OG 3.34Å; K71-S75 WeakPolarHBondContact O-CB 3.44Å; K71-S75 PolarHBondContact O-N 3.34Å; K71-S75 PolarHBondContact O-OG 2.94Å; L72-S75 WeakPolarHBondContact O-CB 3.19Å; L72-S75 PolarHBondContact O-N 2.93Å; L72-S75 VanDerWaalsContact O-N 3.17Å; L72-S75 PolarHBondContact O-OG 3.44Å; F73-S75 PolarHBondContact O-N 3.23Å; S75-H85 PolarHBondContact OG-CD2 3.08Å; S75-H85 PolarHBondContact OG-NE2 3.28Å
76	M	68.3	Low	71	Confident	20 Å²	20	87.1 Å²	87.1	10%	0.099	42%	0.422	C	S	.	.	H	α-helix	trans	-84.5	-23.5	177.9	-67.1	-177.5	-52.9	0	0	113.4	L72 F73 R78 F83	L72-M76 HydrophobicContact CD1-SD 4.39Å; L72-M76 HydrophobicContact CD2-CE 4.48Å; L72-M76 HydrophobicContact CG-CE 3.92Å; L72-M76 HydrophobicContact CG-SD 4.19Å; L72-M76 VanDerWaalsContact O-CG 3.31Å; L72-M76 WeakPolarHBondContact O-CG 3.15Å; L72-M76 PolarHBondContact O-N 3.36Å; F73-M76 HydrophobicContact CB-CE 4.35Å; F73-M76 HydrophobicContact CD1-CE 3.22Å; F73-M76 HydrophobicContact CE1-CE 3.51Å; F73-M76 HydrophobicContact CG-CE 3.86Å; F73-M76 HydrophobicContact CZ-CE 4.35Å; F73-M76 CarbonylContact O-C 3.58Å; F73-M76 WeakPolarHBondContact O-CA 3.18Å; F73-M76 PolarHBondContact O-N 2.98Å; M76-R78 CarbonylContact O-C 3.53Å; M76-R78 PolarHBondContact O-N 2.77Å; M76-F83 HydrophobicContact CB-CE1 4.31Å; M76-F83 HydrophobicContact CB-CE2 4.3Å; M76-F83 HydrophobicContact CB-CZ 3.79Å; M76-F83 HydrophobicContact CG-CE1 3.82Å; M76-F83 HydrophobicContact CG-CZ 3.77Å; M76-F83 HydrophobicContact SD-CE1 3.45Å; M76-F83 WeakPolarHBondContact SD-CE1 3.32Å; M76-F83 HydrophobicContact SD-CZ 3.45Å; M76-F83 WeakPolarHBondContact SD-CZ 3.34Å
77	E	58.2	Low	70.6	Confident	146 Å²	146	84.8 Å²	84.8	68%	0.682	41%	0.408	S	S	*	.			trans	-65.1	-2.7	-173.2	-128.8	176.7	-167.3	0	0	114.6	F73 I79	F73-E77 PolarHBondContact O-N 3.15Å; E77-I79 VanDerWaalsContact C-N 3.31Å; E77-I79 PolarHBondContact O-N 3.41Å; E77-I79 VanDerWaalsContact O-N 3.13Å
78	R	53.1	Low	70.5	Confident	202 Å²	202	77.9 Å²	77.9	76%	0.762	38%	0.378	S	S	*	.			trans	-81.2	82.6	160.3	-71.6	-178.2	173.2	-179.6	-3.4	109	M76 V80	M76-R78 CarbonylContact O-C 3.53Å; M76-R78 PolarHBondContact O-N 2.77Å; R78-V80 PolarHBondContact O-N 3.15Å
79	I	52.7	Low	70.5	Confident	151 Å²	151	77.8 Å²	77.8	77%	0.774	38%	0.382	S	S	*	.			trans	-67.8	70.6	168.2	-50.7	173.7	0	0	0	108.6	E77	E77-I79 VanDerWaalsContact C-N 3.31Å; E77-I79 PolarHBondContact O-N 3.41Å; E77-I79 VanDerWaalsContact O-N 3.13Å
80	V	51.3	Low	70.7	Confident	108 Å²	108	79.1 Å²	79.1	66%	0.655	39%	0.387	S	S	*	.			trans	-127.3	118.3	165.4	-167.9	0	0	0	0	104.5	R78 P82	R78-V80 PolarHBondContact O-N 3.15Å; V80-P82 CarbonylContact O-C 3.54Å
81	H	54.9	Low	71.1	Confident	138 Å²	138	76.6 Å²	76.6	64%	0.639	37%	0.371	S	S	*	.	S	Bend	trans	-54.9	140.2	174.3	-87.7	-82.7	0	0	0	110.3
82	P	56.3	Low	71.7	Confident	65 Å²	65	71.8 Å²	71.8	42%	0.422	35%	0.351	S	S	.	.	S	Bend	cis	-75.2	148.6	-3.4	32	-35.2	0	0	0	112.5	A14 V80 P84	A14-P82 HydrophobicContact CB-CG 4.11Å; V80-P82 CarbonylContact O-C 3.54Å; P82-P84 VanDerWaalsContact O-CD 3.28Å; P82-P84 WeakPolarHBondContact O-CD 3.45Å
83	F	62	Low	72.3	Confident	95 Å²	95	76.4 Å²	76.4	42%	0.417	38%	0.379	S	S	.	.			trans	-54	114.5	175.2	-170	-95	0	0	0	108.6	M76 H85 V86	M76-F83 HydrophobicContact CB-CE1 4.31Å; M76-F83 HydrophobicContact CB-CE2 4.3Å; M76-F83 HydrophobicContact CB-CZ 3.79Å; M76-F83 HydrophobicContact CG-CE1 3.82Å; M76-F83 HydrophobicContact CG-CZ 3.77Å; M76-F83 HydrophobicContact SD-CE1 3.45Å; M76-F83 WeakPolarHBondContact SD-CE1 3.32Å; M76-F83 HydrophobicContact SD-CZ 3.45Å; M76-F83 WeakPolarHBondContact SD-CZ 3.34Å; F83-H85 PolarHBondContact O-N 2.96Å; F83-V86 HydrophobicContact CB-CG2 3.72Å; F83-V86 HydrophobicContact CD1-CG2 3.65Å; F83-V86 HydrophobicContact CG-CG2 4.13Å; F83-V86 WeakPolarHBondContact O-CG2 3.45Å
84	P	64.9	Low	73.1	Confident	16 Å²	16	70.7 Å²	70.7	10%	0.104	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	141.8	-177.9	28.5	-34.5	0	0	0	108.5	V19 P82	V19-P84 HydrophobicContact CB-CB 4.31Å; V19-P84 HydrophobicContact CG1-CB 3.43Å; V19-P84 VanDerWaalsContact CG1-CB 3.43Å; P82-P84 VanDerWaalsContact O-CD 3.28Å; P82-P84 WeakPolarHBondContact O-CD 3.45Å
85	H	75	Confident	73.9	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.037	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	14.3	175	-40.7	-69.8	0	0	0	118.3	V19 D20 S75 F83 E87 L88 C89	V19-H85 PolarHBondContact O-CE1 2.88Å; V19-H85 PolarHBondContact O-ND1 3.04Å; D20-H85 WeakPolarHBondContact OD1-CA 3.45Å; S75-H85 PolarHBondContact OG-CD2 3.08Å; S75-H85 PolarHBondContact OG-NE2 3.28Å; F83-H85 PolarHBondContact O-N 2.96Å; H85-E87 VanDerWaalsContact C-N 3.27Å; H85-E87 PolarHBondContact O-N 3.22Å; H85-L88 PolarHBondContact O-N 3.37Å; H85-C89 PolarHBondContact O-N 3.45Å; H85-C89 PolarHBondContact O-SG 3.29Å
86	V	78	Confident	75	Confident	49 Å²	49	66 Å²	66	30%	0.297	34%	0.335	S	S	.	.	H	α-helix	trans	-52.8	-43.7	178.9	168.8	0	0	0	0	112.3	F83 C89 K90	F83-V86 HydrophobicContact CB-CG2 3.72Å; F83-V86 HydrophobicContact CD1-CG2 3.65Å; F83-V86 HydrophobicContact CG-CG2 4.13Å; F83-V86 WeakPolarHBondContact O-CG2 3.45Å; V86-C89 WeakPolarHBondContact O-CB 3.41Å; V86-C89 PolarHBondContact O-N 2.58Å; V86-K90 HydrophobicContact CG1-CD 4.21Å; V86-K90 HydrophobicContact CG1-CG 4.4Å; V86-K90 WeakPolarHBondContact O-CG 3.34Å; V86-K90 PolarHBondContact O-N 3.07Å
87	E	83.4	Confident	76.2	Confident	52 Å²	52	69.5 Å²	69.5	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-67.7	-43.6	-177.4	-61.1	-57	115.8	0	0	111.3	S16 D20 K31 H85 C89 K90 W91	S16-E87 WeakPolarHBondContact OG-CG 3.44Å; D20-E87 WeakPolarHBondContact OD2-CB 3.18Å; K31-E87 HydrophobicContact CD-CB 4.46Å; H85-E87 VanDerWaalsContact C-N 3.27Å; H85-E87 PolarHBondContact O-N 3.22Å; E87-C89 VanDerWaalsContact C-N 3.28Å; E87-C89 PolarHBondContact O-N 3.48Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 2.93Å; E87-K90 VanDerWaalsContact O-N 3.15Å; E87-K90 WeakPolarHBondContact OE1-CE 3.47Å; E87-K90 IonicContact OE1-NZ 3.01Å; E87-K90 PolarHBondContact OE1-NZ 3.23Å; E87-K90 IonicContact OE2-NZ 3.31Å; E87-W91 PolarHBondContact O-N 3.44Å
88	L	85	Confident	78	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-43.1	174.2	178.3	57	0	0	0	111.5	D20 L23 L24 F27 H85 K90 W91 L92	D20-L88 PolarHBondContact OD1-N 3.06Å; L23-L88 HydrophobicContact CB-CD2 4.16Å; L23-L88 HydrophobicContact CD2-CD2 3.43Å; L23-L88 VanDerWaalsContact CD2-CD2 3.43Å; L23-L88 HydrophobicContact CG-CD2 4.35Å; L24-L88 HydrophobicContact CD2-CD1 3.96Å; L24-L88 HydrophobicContact CD2-CD2 4.33Å; F27-L88 HydrophobicContact CE2-CD2 4.35Å; H85-L88 PolarHBondContact O-N 3.37Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.02Å; L88-W91 PolarHBondContact O-N 3.17Å; L88-L92 HydrophobicContact CD1-CD1 4.38Å; L88-L92 HydrophobicContact CD1-CG 4.17Å; L88-L92 HydrophobicContact CG-CD1 4.06Å; L88-L92 HydrophobicContact CG-CG 4.35Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 2.98Å
89	C	86.3	Confident	79.9	Confident	34 Å²	34	57.2 Å²	57.2	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-43	175.6	-70.4	0	0	0	0	112.1	H85 V86 E87 W91 L92 V93	H85-C89 PolarHBondContact O-N 3.45Å; H85-C89 PolarHBondContact O-SG 3.29Å; V86-C89 WeakPolarHBondContact O-CB 3.41Å; V86-C89 PolarHBondContact O-N 2.58Å; E87-C89 VanDerWaalsContact C-N 3.28Å; E87-C89 PolarHBondContact O-N 3.48Å; C89-W91 VanDerWaalsContact C-N 3.33Å; C89-W91 PolarHBondContact O-N 2.89Å; C89-L92 PolarHBondContact O-N 2.63Å; C89-V93 WeakPolarHBondContact O-CG2 3.33Å; C89-V93 PolarHBondContact O-N 2.89Å
90	K	90.3	Very high	81.8	Confident	93 Å²	93	53.6 Å²	53.6	40%	0.404	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-44.8	174	-74	174.7	-178.3	168.4	0	111.7	V86 E87 L88 V93 A94 P99	V86-K90 HydrophobicContact CG1-CD 4.21Å; V86-K90 HydrophobicContact CG1-CG 4.4Å; V86-K90 WeakPolarHBondContact O-CG 3.34Å; V86-K90 PolarHBondContact O-N 3.07Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 2.93Å; E87-K90 VanDerWaalsContact O-N 3.15Å; E87-K90 WeakPolarHBondContact OE1-CE 3.47Å; E87-K90 IonicContact OE1-NZ 3.01Å; E87-K90 PolarHBondContact OE1-NZ 3.23Å; E87-K90 IonicContact OE2-NZ 3.31Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.02Å; K90-V93 PolarHBondContact O-N 3.05Å; K90-A94 VanDerWaalsContact O-CB 3.29Å; K90-A94 WeakPolarHBondContact O-CB 3.38Å; K90-A94 PolarHBondContact O-N 3.23Å; K90-P99 HydrophobicContact CB-CB 3.88Å; K90-P99 HydrophobicContact CB-CG 4.08Å
91	W	92.7	Very high	83.8	Confident	50 Å²	50	55 Å²	55	19%	0.189	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-46.1	176.6	-79.9	99.5	0	0	0	112.6	K31 A35 E87 L88 C89 V93 A94 G95 G96 Q97 P99	K31-W91 HydrophobicContact CB-CB 4.19Å; K31-W91 HydrophobicContact CB-CD2 4.07Å; K31-W91 HydrophobicContact CB-CG 3.67Å; A35-W91 HydrophobicContact CB-CB 3.98Å; A35-W91 WeakPolarHBondContact CB-O 3.35Å; E87-W91 PolarHBondContact O-N 3.44Å; L88-W91 PolarHBondContact O-N 3.17Å; C89-W91 VanDerWaalsContact C-N 3.33Å; C89-W91 PolarHBondContact O-N 2.89Å; W91-V93 VanDerWaalsContact C-N 3.33Å; W91-V93 PolarHBondContact O-N 2.76Å; W91-A94 CarbonylContact O-C 3.56Å; W91-A94 PolarHBondContact O-N 2.91Å; W91-G95 PolarHBondContact O-N 3.47Å; W91-G96 WeakPolarHBondContact CZ3-O 3.33Å; W91-G96 PolarHBondContact O-N 3.28Å; W91-Q97 VanDerWaalsContact CE3-O 3.31Å; W91-Q97 VanDerWaalsContact CZ3-O 3.24Å; W91-Q97 WeakPolarHBondContact CZ3-O 3.42Å; W91-P99 HydrophobicContact CD2-CG 3.78Å; W91-P99 HydrophobicContact CE3-CG 4.26Å; W91-P99 HydrophobicContact CG-CG 3.94Å; W91-P99 HydrophobicContact CZ2-CG 4.38Å
92	L	91.9	Very high	85.6	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-45.9	177.8	-71.2	168.8	0	0	0	111.3	A35 F38 F68 L72 L88 C89 G95	A35-L92 HydrophobicContact CB-CD2 4.42Å; F38-L92 HydrophobicContact CB-CD2 3.72Å; F38-L92 HydrophobicContact CD1-CD2 3.69Å; F38-L92 HydrophobicContact CD2-CD2 4.47Å; F38-L92 HydrophobicContact CE1-CD2 4.46Å; F38-L92 HydrophobicContact CG-CD2 3.69Å; F68-L92 HydrophobicContact CZ-CD1 4.08Å; L72-L92 HydrophobicContact CD2-CD1 4.29Å; L88-L92 HydrophobicContact CD1-CD1 4.38Å; L88-L92 HydrophobicContact CD1-CG 4.17Å; L88-L92 HydrophobicContact CG-CD1 4.06Å; L88-L92 HydrophobicContact CG-CG 4.35Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 2.98Å; C89-L92 PolarHBondContact O-N 2.63Å; L92-G95 PolarHBondContact O-N 2.82Å; L92-G95 VanDerWaalsContact O-N 3.16Å
93	V	91.9	Very high	87.2	Confident	107 Å²	107	52.7 Å²	52.7	65%	0.648	26%	0.262	S	S	*	.	H	α-helix	trans	-66.2	-39.5	177.2	172.2	0	0	0	0	111.6	C89 K90 W91 G95 F102	C89-V93 WeakPolarHBondContact O-CG2 3.33Å; C89-V93 PolarHBondContact O-N 2.89Å; K90-V93 PolarHBondContact O-N 3.05Å; W91-V93 VanDerWaalsContact C-N 3.33Å; W91-V93 PolarHBondContact O-N 2.76Å; V93-G95 PolarHBondContact O-N 2.94Å; V93-F102 HydrophobicContact CG1-CE1 4.07Å
94	A	94.3	Very high	88.4	Confident	2 Å²	2	52.9 Å²	52.9	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-9.2	175.6	0	0	0	0	0	113.5	K90 W91 G96 Q97 P99 F102	K90-A94 VanDerWaalsContact O-CB 3.29Å; K90-A94 WeakPolarHBondContact O-CB 3.38Å; K90-A94 PolarHBondContact O-N 3.23Å; W91-A94 CarbonylContact O-C 3.56Å; W91-A94 PolarHBondContact O-N 2.91Å; A94-G96 VanDerWaalsContact C-N 3.29Å; A94-G96 PolarHBondContact O-N 3.37Å; A94-Q97 HydrophobicContact CB-CB 4.39Å; A94-Q97 VanDerWaalsContact CB-O 3.26Å; A94-Q97 WeakPolarHBondContact CB-O 3.48Å; A94-Q97 WeakPolarHBondContact O-CB 3.47Å; A94-Q97 PolarHBondContact O-N 3.26Å; A94-Q97 PolarHBondContact O-NE2 2.92Å; A94-P99 HydrophobicContact CB-CB 4.47Å; A94-P99 HydrophobicContact CB-CG 4.44Å; A94-F102 HydrophobicContact CB-CB 3.78Å; A94-F102 HydrophobicContact CB-CD1 3.79Å; A94-F102 HydrophobicContact CB-CD2 4.48Å; A94-F102 HydrophobicContact CB-CG 3.76Å
95	G	93	Very high	89.6	Confident	9 Å²	9	54.6 Å²	54.6	9%	0.093	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	37.3	178.2	0	0	0	0	0	112.9	W91 L92 V93 Q97	W91-G95 PolarHBondContact O-N 3.47Å; L92-G95 PolarHBondContact O-N 2.82Å; L92-G95 VanDerWaalsContact O-N 3.16Å; V93-G95 PolarHBondContact O-N 2.94Å; G95-Q97 VanDerWaalsContact C-N 3.34Å
96	G	91.8	Very high	90.2	Very high	21 Å²	21	58.4 Å²	58.4	22%	0.216	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-2.9	-179.1	0	0	0	0	0	115.2	S32 W91 A94	S32-G96 WeakPolarHBondContact O-CA 3.4Å; W91-G96 WeakPolarHBondContact CZ3-O 3.33Å; W91-G96 PolarHBondContact O-N 3.28Å; A94-G96 VanDerWaalsContact C-N 3.29Å; A94-G96 PolarHBondContact O-N 3.37Å
97	Q	93.9	Very high	90.4	Very high	92 Å²	92	63.2 Å²	63.2	43%	0.43	31%	0.307	S	S	.	.	S	Bend	trans	-75.1	155.9	167.7	-66.6	171	83.9	0	0	110.3	W91 A94 G95 P99 F102	W91-Q97 VanDerWaalsContact CE3-O 3.31Å; W91-Q97 VanDerWaalsContact CZ3-O 3.24Å; W91-Q97 WeakPolarHBondContact CZ3-O 3.42Å; A94-Q97 HydrophobicContact CB-CB 4.39Å; A94-Q97 VanDerWaalsContact CB-O 3.26Å; A94-Q97 WeakPolarHBondContact CB-O 3.48Å; A94-Q97 WeakPolarHBondContact O-CB 3.47Å; A94-Q97 PolarHBondContact O-N 3.26Å; A94-Q97 PolarHBondContact O-NE2 2.92Å; G95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-P99 WeakPolarHBondContact O-CD 3.49Å; Q97-P99 VanDerWaalsContact O-N 3.17Å; Q97-F102 HydrophobicContact CB-CB 4.45Å
98	D	94.7	Very high	90.4	Very high	69 Å²	69	67.7 Å²	67.7	37%	0.369	33%	0.332	S	S	.	.			trans	-52.6	121.3	169.2	176.7	-96.5	0	0	0	109.8	E100 K101 F102	D98-E100 PolarHBondContact O-N 3.16Å; D98-E100 WeakPolarHBondContact OD1-CB 3.44Å; D98-E100 PolarHBondContact OD1-N 3.25Å; D98-E100 VanDerWaalsContact OD1-N 3.16Å; D98-K101 HydrophobicContact CB-CB 4.21Å; D98-K101 HydrophobicContact CB-CD 4.12Å; D98-K101 HydrophobicContact CB-CG 4.26Å; D98-K101 PolarHBondContact O-N 3.22Å; D98-K101 WeakPolarHBondContact OD1-CG 3.13Å; D98-K101 PolarHBondContact OD1-N 3.48Å; D98-F102 WeakPolarHBondContact O-CB 3.3Å; D98-F102 PolarHBondContact O-N 2.98Å
99	P	93.9	Very high	90.4	Very high	21 Å²	21	76.4 Å²	76.4	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-29.3	-172.4	-27.2	35.4	0	0	0	114.4	K90 W91 A94 Q97 R103	K90-P99 HydrophobicContact CB-CB 3.88Å; K90-P99 HydrophobicContact CB-CG 4.08Å; W91-P99 HydrophobicContact CD2-CG 3.78Å; W91-P99 HydrophobicContact CE3-CG 4.26Å; W91-P99 HydrophobicContact CG-CG 3.94Å; W91-P99 HydrophobicContact CZ2-CG 4.38Å; A94-P99 HydrophobicContact CB-CB 4.47Å; A94-P99 HydrophobicContact CB-CG 4.44Å; Q97-P99 WeakPolarHBondContact O-CD 3.49Å; Q97-P99 VanDerWaalsContact O-N 3.17Å; P99-R103 WeakPolarHBondContact O-CB 3.43Å; P99-R103 PolarHBondContact O-N 3.27Å
100	E	91.9	Very high	90	Very high	76 Å²	76	79.3 Å²	79.3	36%	0.355	38%	0.378	S	S	.	.	H	α-helix	trans	-72.9	-48.5	180	-169.8	52.4	-130.6	0	0	110.6	D98 F102 R103 E104	D98-E100 PolarHBondContact O-N 3.16Å; D98-E100 WeakPolarHBondContact OD1-CB 3.44Å; D98-E100 PolarHBondContact OD1-N 3.25Å; D98-E100 VanDerWaalsContact OD1-N 3.16Å; E100-F102 VanDerWaalsContact C-N 3.26Å; E100-F102 PolarHBondContact O-N 2.96Å; E100-R103 WeakPolarHBondContact O-CB 3.31Å; E100-R103 PolarHBondContact O-N 2.92Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-R103 IonicContact OE1-CZ 3.81Å; E100-R103 IonicContact OE1-NE 2.86Å; E100-R103 PolarHBondContact OE1-NE 3.1Å; E100-R103 IonicContact OE1-NH2 2.74Å; E100-R103 PolarHBondContact OE1-NH2 2.94Å; E100-R103 IonicContact OE2-CZ 3.95Å; E100-R103 IonicContact OE2-NE 3.86Å; E100-R103 PolarHBondContact OE2-NE 3.43Å; E100-R103 IonicContact OE2-NH1 2.72Å; E100-R103 PolarHBondContact OE2-NH1 3.17Å; E100-R103 IonicContact OE2-NH2 2.84Å; E100-R103 PolarHBondContact OE2-NH2 3.31Å; E100-E104 WeakPolarHBondContact O-CG 3.29Å; E100-E104 PolarHBondContact O-N 3.3Å
101	K	93.2	Very high	89.4	Confident	138 Å²	138	82.1 Å²	82.1	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-60.6	-37.6	173	-68.1	179.5	-175.9	177	0	112.3	D98 E104 T105	D98-K101 HydrophobicContact CB-CB 4.21Å; D98-K101 HydrophobicContact CB-CD 4.12Å; D98-K101 HydrophobicContact CB-CG 4.26Å; D98-K101 PolarHBondContact O-N 3.22Å; D98-K101 WeakPolarHBondContact OD1-CG 3.13Å; D98-K101 PolarHBondContact OD1-N 3.48Å; K101-E104 PolarHBondContact O-N 2.99Å; K101-T105 WeakPolarHBondContact O-CB 3.49Å; K101-T105 PolarHBondContact O-N 2.8Å; K101-T105 PolarHBondContact O-OG1 2.9Å
102	F	93.5	Very high	88.9	Confident	45 Å²	45	82.9 Å²	82.9	20%	0.197	41%	0.411	C	S	.	.	H	α-helix	trans	-63.9	-43.6	175.6	-176.5	-107.1	0	0	0	111.1	V93 A94 Q97 D98 E100 T105 L106	V93-F102 HydrophobicContact CG1-CE1 4.07Å; A94-F102 HydrophobicContact CB-CB 3.78Å; A94-F102 HydrophobicContact CB-CD1 3.79Å; A94-F102 HydrophobicContact CB-CD2 4.48Å; A94-F102 HydrophobicContact CB-CG 3.76Å; Q97-F102 HydrophobicContact CB-CB 4.45Å; D98-F102 WeakPolarHBondContact O-CB 3.3Å; D98-F102 PolarHBondContact O-N 2.98Å; E100-F102 VanDerWaalsContact C-N 3.26Å; E100-F102 PolarHBondContact O-N 2.96Å; F102-T105 WeakPolarHBondContact O-CB 3.26Å; F102-T105 PolarHBondContact O-N 3.18Å; F102-L106 HydrophobicContact CD1-CD1 3.92Å; F102-L106 HydrophobicContact CD1-CG 4.34Å; F102-L106 HydrophobicContact CE1-CD1 3.43Å; F102-L106 VanDerWaalsContact CE1-CD1 3.43Å; F102-L106 HydrophobicContact CE1-CD2 4.49Å; F102-L106 HydrophobicContact CE1-CG 3.99Å; F102-L106 HydrophobicContact CZ-CD1 3.96Å; F102-L106 HydrophobicContact CZ-CD2 4.18Å; F102-L106 HydrophobicContact CZ-CG 4.12Å; F102-L106 WeakPolarHBondContact O-CG 3.45Å; F102-L106 PolarHBondContact O-N 3.4Å
103	R	89.2	Confident	88.5	Confident	109 Å²	109	86.1 Å²	86.1	41%	0.411	44%	0.441	S	S	.	.	H	α-helix	trans	-60.1	-45.2	174.6	-179.1	175.8	77	177	13.5	112.2	P99 E100 T105 L106 R107	P99-R103 WeakPolarHBondContact O-CB 3.43Å; P99-R103 PolarHBondContact O-N 3.27Å; E100-R103 WeakPolarHBondContact O-CB 3.31Å; E100-R103 PolarHBondContact O-N 2.92Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-R103 IonicContact OE1-CZ 3.81Å; E100-R103 IonicContact OE1-NE 2.86Å; E100-R103 PolarHBondContact OE1-NE 3.1Å; E100-R103 IonicContact OE1-NH2 2.74Å; E100-R103 PolarHBondContact OE1-NH2 2.94Å; E100-R103 IonicContact OE2-CZ 3.95Å; E100-R103 IonicContact OE2-NE 3.86Å; E100-R103 PolarHBondContact OE2-NE 3.43Å; E100-R103 IonicContact OE2-NH1 2.72Å; E100-R103 PolarHBondContact OE2-NH1 3.17Å; E100-R103 IonicContact OE2-NH2 2.84Å; E100-R103 PolarHBondContact OE2-NH2 3.31Å; R103-T105 VanDerWaalsContact C-N 3.35Å; R103-L106 PolarHBondContact O-N 3.3Å; R103-R107 WeakPolarHBondContact O-CG 3.24Å; R103-R107 PolarHBondContact O-N 3.2Å
104	E	87.9	Confident	88.4	Confident	99 Å²	99	82.7 Å²	82.7	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-44.5	175.3	-69.9	176	163.6	0	0	111.7	E100 K101 L106 R107 L108	E100-E104 WeakPolarHBondContact O-CG 3.29Å; E100-E104 PolarHBondContact O-N 3.3Å; K101-E104 PolarHBondContact O-N 2.99Å; E104-L106 VanDerWaalsContact C-N 3.29Å; E104-L106 PolarHBondContact O-N 3.41Å; E104-R107 WeakPolarHBondContact O-CB 3.49Å; E104-R107 PolarHBondContact O-N 3.43Å; E104-R107 VanDerWaalsContact O-N 3.16Å; E104-L108 WeakPolarHBondContact O-CG 3.26Å; E104-L108 PolarHBondContact O-N 3.44Å
105	T	90.4	Very high	88.3	Confident	52 Å²	52	85 Å²	85	32%	0.319	44%	0.439	S	S	.	.	H	α-helix	trans	-60.3	-40.3	176.1	-56.9	0	0	0	0	111.6	K101 F102 R103 L108 R109	K101-T105 WeakPolarHBondContact O-CB 3.49Å; K101-T105 PolarHBondContact O-N 2.8Å; K101-T105 PolarHBondContact O-OG1 2.9Å; F102-T105 WeakPolarHBondContact O-CB 3.26Å; F102-T105 PolarHBondContact O-N 3.18Å; R103-T105 VanDerWaalsContact C-N 3.35Å; T105-L108 PolarHBondContact O-N 3.5Å; T105-R109 WeakPolarHBondContact O-CG 3.4Å; T105-R109 PolarHBondContact O-N 2.92Å
106	L	87.6	Confident	88.1	Confident	88 Å²	88	86.8 Å²	86.8	46%	0.461	46%	0.457	S	S	.	.	H	α-helix	trans	-66.2	-41.7	174.9	-72.8	-179.1	0	0	0	112	F102 R103 E104 L108 R109 N110	F102-L106 HydrophobicContact CD1-CD1 3.92Å; F102-L106 HydrophobicContact CD1-CG 4.34Å; F102-L106 HydrophobicContact CE1-CD1 3.43Å; F102-L106 VanDerWaalsContact CE1-CD1 3.43Å; F102-L106 HydrophobicContact CE1-CD2 4.49Å; F102-L106 HydrophobicContact CE1-CG 3.99Å; F102-L106 HydrophobicContact CZ-CD1 3.96Å; F102-L106 HydrophobicContact CZ-CD2 4.18Å; F102-L106 HydrophobicContact CZ-CG 4.12Å; F102-L106 WeakPolarHBondContact O-CG 3.45Å; F102-L106 PolarHBondContact O-N 3.4Å; R103-L106 PolarHBondContact O-N 3.3Å; E104-L106 VanDerWaalsContact C-N 3.29Å; E104-L106 PolarHBondContact O-N 3.41Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 2.87Å; L106-R109 CarbonylContact O-C 3.58Å; L106-R109 PolarHBondContact O-N 3.18Å; L106-R109 VanDerWaalsContact O-N 3.1Å; L106-N110 PolarHBondContact O-N 2.88Å
107	R	82.1	Confident	88.1	Confident	149 Å²	149	89.4 Å²	89.4	56%	0.562	47%	0.466	S	S	*	.	H	α-helix	trans	-60	-42	175.8	-74.6	175.4	177.5	156.1	-3.1	111.8	R103 E104 R109 N110	R103-R107 WeakPolarHBondContact O-CG 3.24Å; R103-R107 PolarHBondContact O-N 3.2Å; E104-R107 WeakPolarHBondContact O-CB 3.49Å; E104-R107 PolarHBondContact O-N 3.43Å; E104-R107 VanDerWaalsContact O-N 3.16Å; R107-R109 PolarHBondContact O-N 3.09Å; R107-N110 PolarHBondContact O-N 2.96Å; R107-N110 VanDerWaalsContact O-N 3.17Å
108	L	83.2	Confident	88.1	Confident	146 Å²	146	90.3 Å²	90.3	76%	0.764	48%	0.477	S	S	*	.	H	α-helix	trans	-66.4	-22.3	176.7	-69	172.3	0	0	0	113.6	E104 T105 L106	E104-L108 WeakPolarHBondContact O-CG 3.26Å; E104-L108 PolarHBondContact O-N 3.44Å; T105-L108 PolarHBondContact O-N 3.5Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 2.87Å
109	R	83.8	Confident	88	Confident	184 Å²	184	87.6 Å²	87.6	69%	0.694	46%	0.462	S	S	*	.	H	α-helix	trans	-95.8	-10.8	176.1	-68.1	176.2	-179.6	-171.6	0.8	113	T105 L106 R107 N111	T105-R109 WeakPolarHBondContact O-CG 3.4Å; T105-R109 PolarHBondContact O-N 2.92Å; L106-R109 CarbonylContact O-C 3.58Å; L106-R109 PolarHBondContact O-N 3.18Å; L106-R109 VanDerWaalsContact O-N 3.1Å; R107-R109 PolarHBondContact O-N 3.09Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 2.99Å
110	N	78.2	Confident	87.9	Confident	95 Å²	95	91.9 Å²	91.9	51%	0.508	48%	0.481	S	S	.	.			trans	-76.9	88.5	-179.8	-172.9	29.2	0	0	0	109.2	L106 R107 S112	L106-N110 PolarHBondContact O-N 2.88Å; R107-N110 PolarHBondContact O-N 2.96Å; R107-N110 VanDerWaalsContact O-N 3.17Å; N110-S112 PolarHBondContact O-N 3.31Å; N110-S112 WeakPolarHBondContact OD1-CB 3.39Å; N110-S112 PolarHBondContact OD1-N 2.95Å
111	N	77.5	Confident	87.9	Confident	152 Å²	152	91.8 Å²	91.8	81%	0.813	49%	0.487	S	S	*	.			trans	-82.3	12.4	175.7	-60.1	-12.3	0	0	0	112.2	R109	R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 2.99Å
112	S	83.3	Confident	87.8	Confident	65 Å²	65	86.7 Å²	86.7	46%	0.455	47%	0.474	S	S	.	.			trans	-67.6	133	176.1	-177.1	0	0	0	0	110	N110 A114	N110-S112 PolarHBondContact O-N 3.31Å; N110-S112 WeakPolarHBondContact OD1-CB 3.39Å; N110-S112 PolarHBondContact OD1-N 2.95Å; S112-A114 PolarHBondContact O-N 3.15Å; S112-A114 WeakPolarHBondContact OG-CB 3.45Å; S112-A114 PolarHBondContact OG-N 3.2Å; S112-A114 PolarHBondContact OG-O 3.15Å
113	A	82.4	Confident	87.9	Confident	90 Å²	90	87.6 Å²	87.6	74%	0.744	48%	0.478	S	S	*	.	S	Bend	trans	-68.1	-19.8	166.3	0	0	0	0	0	111.8
114	A	90.8	Very high	88.2	Confident	34 Å²	34	85.1 Å²	85.1	28%	0.281	47%	0.472	S	S	.	.			trans	-84.2	135.3	-178.6	0	0	0	0	0	112.6	S112 C167	S112-A114 PolarHBondContact O-N 3.15Å; S112-A114 WeakPolarHBondContact OG-CB 3.45Å; S112-A114 PolarHBondContact OG-N 3.2Å; S112-A114 PolarHBondContact OG-O 3.15Å; A114-C167 CarbonylContact C-O 3.4Å; A114-C167 WeakPolarHBondContact CA-O 3.43Å
115	C	92.1	Very high	88.7	Confident	52 Å²	52	80.4 Å²	80.4	35%	0.351	45%	0.45	S	S	.	.			trans	-69.2	-54.1	178.1	175.9	0	0	0	0	112	L117 C143 C165 C167	C115-L117 PolarHBondContact O-N 3.45Å; C115-L117 VanDerWaalsContact O-N 3.16Å; C115-C143 VanDerWaalsContact SG-SG 3.63Å; C115-C165 HydrophobicContact CB-CB 4.02Å; C115-C167 HydrophobicContact CB-CB 3.77Å; C115-C167 PolarHBondContact N-O 3.38Å
116	G	87.7	Confident	89.1	Confident	45 Å²	45	79.8 Å²	79.8	46%	0.464	44%	0.442	S	S	.	.			trans	64.9	13.9	176.9	0	0	0	0	0	115.8	V118 C165	G116-V118 PolarHBondContact O-N 2.67Å; G116-V118 VanDerWaalsContact O-N 3.11Å; G116-C165 PolarHBondContact N-O 3.35Å
117	L	92.1	Very high	89.5	Confident	76 Å²	76	79 Å²	79	40%	0.398	43%	0.433	S	S	.	.			trans	-57.3	117.3	174.2	176.9	71.4	0	0	0	109.8	C115 W119 F123 C140 A164 C165	C115-L117 PolarHBondContact O-N 3.45Å; C115-L117 VanDerWaalsContact O-N 3.16Å; L117-W119 HydrophobicContact CD2-CE3 4.31Å; L117-W119 HydrophobicContact CG-CE3 4.35Å; L117-F123 HydrophobicContact CD2-CE2 4.44Å; L117-F123 HydrophobicContact CD2-CZ 3.82Å; L117-C140 HydrophobicContact CD2-CB 3.55Å; L117-A164 CarbonylContact O-C 3.54Å; L117-A164 WeakPolarHBondContact O-CA 3.36Å; L117-C165 HydrophobicContact CB-CB 4.02Å; L117-C165 PolarHBondContact O-N 2.83Å
118	V	93.6	Very high	90.3	Very high	112 Å²	112	71.9 Å²	71.9	68%	0.679	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.6	175.1	-177	0	0	0	0	109.8	G116 G163 A164	G116-V118 PolarHBondContact O-N 2.67Å; G116-V118 VanDerWaalsContact O-N 3.11Å; V118-G163 CarbonylContact C-O 3.51Å; V118-G163 WeakPolarHBondContact CA-O 3.4Å; V118-G163 WeakPolarHBondContact CG1-O 3.46Å; V118-A164 HydrophobicContact CG2-CB 4.16Å
119	W	93.7	Very high	90.9	Very high	11 Å²	11	70.9 Å²	70.9	4%	0.042	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161.6	179.1	57.5	72.4	0	0	0	113.6	L117 F123 A125 S138 C140 G162 G163 A164 C165	L117-W119 HydrophobicContact CD2-CE3 4.31Å; L117-W119 HydrophobicContact CG-CE3 4.35Å; W119-F123 HydrophobicContact CB-CB 3.59Å; W119-F123 HydrophobicContact CB-CD1 3.73Å; W119-F123 HydrophobicContact CB-CD2 3.56Å; W119-F123 HydrophobicContact CB-CE1 4.28Å; W119-F123 HydrophobicContact CB-CE2 4.13Å; W119-F123 HydrophobicContact CB-CG 3.34Å; W119-F123 HydrophobicContact CB-CZ 4.46Å; W119-F123 AromaticContact CD1-CD1 3.94Å; W119-F123 AromaticContact CD1-CG 3.97Å; W119-F123 HydrophobicContact CD2-CB 4.48Å; W119-F123 AromaticContact CD2-CD1 3.38Å; W119-F123 HydrophobicContact CD2-CD1 3.38Å; W119-F123 AromaticContact CD2-CE1 3.7Å; W119-F123 HydrophobicContact CD2-CE1 3.7Å; W119-F123 AromaticContact CD2-CG 3.99Å; W119-F123 HydrophobicContact CD2-CG 3.99Å; W119-F123 AromaticContact CE2-CD1 3.96Å; W119-F123 AromaticContact CE3-CD1 3.67Å; W119-F123 HydrophobicContact CE3-CD1 3.67Å; W119-F123 AromaticContact CE3-CE1 3.43Å; W119-F123 HydrophobicContact CE3-CE1 3.43Å; W119-F123 VanDerWaalsContact CE3-CE1 3.43Å; W119-F123 HydrophobicContact CE3-CG 4.47Å; W119-F123 HydrophobicContact CE3-CZ 4.06Å; W119-F123 HydrophobicContact CG-CB 3.62Å; W119-F123 AromaticContact CG-CD1 3.41Å; W119-F123 HydrophobicContact CG-CD1 3.41Å; W119-F123 VanDerWaalsContact CG-CD1 3.41Å; W119-F123 HydrophobicContact CG-CD2 4.19Å; W119-F123 HydrophobicContact CG-CE1 4.08Å; W119-F123 AromaticContact CG-CG 3.48Å; W119-F123 HydrophobicContact CG-CG 3.48Å; W119-F123 VanDerWaalsContact CG-CG 3.48Å; W119-F123 HydrophobicContact CZ3-CD1 4.41Å; W119-F123 AromaticContact CZ3-CE1 3.97Å; W119-F123 HydrophobicContact CZ3-CE1 3.97Å; W119-A125 HydrophobicContact CH2-CB 4.11Å; W119-A125 HydrophobicContact CZ2-CB 3.83Å; W119-S138 WeakPolarHBondContact CZ2-OG 3.44Å; W119-C140 HydrophobicContact CZ3-CB 4.14Å; W119-G162 CarbonylContact O-C 3.5Å; W119-G162 WeakPolarHBondContact O-CA 3.48Å; W119-G163 PolarHBondContact N-O 3.09Å; W119-G163 PolarHBondContact O-N 3.22Å; W119-A164 WeakPolarHBondContact CH2-O 3.28Å; W119-A164 VanDerWaalsContact CZ3-C 3.46Å; W119-C165 HydrophobicContact CH2-CB 4.32Å; W119-C165 HydrophobicContact CZ3-CB 3.82Å
120	M	90.6	Very high	91.6	Very high	111 Å²	111	64.8 Å²	64.8	55%	0.547	38%	0.376	S	S	.	.			trans	-93.3	168.3	177.7	-65.2	-57.3	-72.5	0	0	111.7	F123	M120-F123 WeakPolarHBondContact O-CB 3.3Å; M120-F123 PolarHBondContact O-N 3.3Å
121	P	93.2	Very high	92.5	Very high	74 Å²	74	60.2 Å²	60.2	48%	0.481	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	141.9	168	-26.9	35.2	0	0	0	112.1	R160 T161	P121-R160 WeakPolarHBondContact CB-O 3.41Å; P121-T161 WeakPolarHBondContact CA-O 3.29Å
122	G	89.9	Confident	93.5	Very high	31 Å²	31	53.7 Å²	53.7	32%	0.32	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-11.3	-178.5	0	0	0	0	0	114.7	R158 S159	G122-R158 WeakPolarHBondContact O-CG 3.12Å; G122-R158 PolarHBondContact O-NH1 3.31Å; G122-S159 PolarHBondContact N-O 3.49Å
123	F	95.7	Very high	94.1	Very high	65 Å²	65	55.1 Å²	55.1	29%	0.285	32%	0.322	S	S	.	.			trans	-64.6	146	175.9	-169	-96.2	0	0	0	112.3	L117 W119 M120 A125 C140 R158 S159	L117-F123 HydrophobicContact CD2-CE2 4.44Å; L117-F123 HydrophobicContact CD2-CZ 3.82Å; W119-F123 HydrophobicContact CB-CB 3.59Å; W119-F123 HydrophobicContact CB-CD1 3.73Å; W119-F123 HydrophobicContact CB-CD2 3.56Å; W119-F123 HydrophobicContact CB-CE1 4.28Å; W119-F123 HydrophobicContact CB-CE2 4.13Å; W119-F123 HydrophobicContact CB-CG 3.34Å; W119-F123 HydrophobicContact CB-CZ 4.46Å; W119-F123 AromaticContact CD1-CD1 3.94Å; W119-F123 AromaticContact CD1-CG 3.97Å; W119-F123 HydrophobicContact CD2-CB 4.48Å; W119-F123 AromaticContact CD2-CD1 3.38Å; W119-F123 HydrophobicContact CD2-CD1 3.38Å; W119-F123 AromaticContact CD2-CE1 3.7Å; W119-F123 HydrophobicContact CD2-CE1 3.7Å; W119-F123 AromaticContact CD2-CG 3.99Å; W119-F123 HydrophobicContact CD2-CG 3.99Å; W119-F123 AromaticContact CE2-CD1 3.96Å; W119-F123 AromaticContact CE3-CD1 3.67Å; W119-F123 HydrophobicContact CE3-CD1 3.67Å; W119-F123 AromaticContact CE3-CE1 3.43Å; W119-F123 HydrophobicContact CE3-CE1 3.43Å; W119-F123 VanDerWaalsContact CE3-CE1 3.43Å; W119-F123 HydrophobicContact CE3-CG 4.47Å; W119-F123 HydrophobicContact CE3-CZ 4.06Å; W119-F123 HydrophobicContact CG-CB 3.62Å; W119-F123 AromaticContact CG-CD1 3.41Å; W119-F123 HydrophobicContact CG-CD1 3.41Å; W119-F123 VanDerWaalsContact CG-CD1 3.41Å; W119-F123 HydrophobicContact CG-CD2 4.19Å; W119-F123 HydrophobicContact CG-CE1 4.08Å; W119-F123 AromaticContact CG-CG 3.48Å; W119-F123 HydrophobicContact CG-CG 3.48Å; W119-F123 VanDerWaalsContact CG-CG 3.48Å; W119-F123 HydrophobicContact CZ3-CD1 4.41Å; W119-F123 AromaticContact CZ3-CE1 3.97Å; W119-F123 HydrophobicContact CZ3-CE1 3.97Å; M120-F123 WeakPolarHBondContact O-CB 3.3Å; M120-F123 PolarHBondContact O-N 3.3Å; F123-A125 HydrophobicContact CD1-CB 4.27Å; F123-C140 HydrophobicContact CE1-CB 4.41Å; F123-C140 HydrophobicContact CZ-CB 4.42Å; F123-R158 CarbonylContact O-C 3.43Å; F123-R158 WeakPolarHBondContact O-CA 3.47Å; F123-S159 PolarHBondContact O-N 2.9Å
124	I	96.9	Very high	94.7	Very high	56 Å²	56	53.1 Å²	53.1	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.3	176	-58.1	-59.3	0	0	0	109.1	M156 R158	I124-M156 HydrophobicContact CG2-CG 3.55Å; I124-M156 HydrophobicContact CG2-SD 3.7Å; I124-R158 HydrophobicContact CD1-CB 3.87Å; I124-R158 HydrophobicContact CD1-CG 4.01Å
125	A	97.6	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	167.7	178.8	0	0	0	0	0	110.7	W119 F123 L139 M156 F157	W119-A125 HydrophobicContact CH2-CB 4.11Å; W119-A125 HydrophobicContact CZ2-CB 3.83Å; F123-A125 HydrophobicContact CD1-CB 4.27Å; A125-L139 WeakPolarHBondContact CA-O 3.24Å; A125-M156 WeakPolarHBondContact O-CA 3.4Å; A125-F157 HydrophobicContact CB-CE1 3.92Å; A125-F157 HydrophobicContact CB-CE2 4.05Å; A125-F157 HydrophobicContact CB-CZ 3.62Å; A125-F157 PolarHBondContact N-O 2.94Å; A125-F157 WeakPolarHBondContact O-CD1 3.43Å; A125-F157 PolarHBondContact O-N 3.17Å
126	Y	98.1	Very high	94.9	Very high	39 Å²	39	58 Å²	58	15%	0.153	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.1	-178.7	-64.2	-100.1	0	0	0	109.8	S138 L139 F144 F154 N155 M156	Y126-S138 CarbonylContact O-C 3.57Å; Y126-S138 VanDerWaalsContact O-CA 3.29Å; Y126-S138 WeakPolarHBondContact O-CA 3.42Å; Y126-L139 PolarHBondContact N-O 3.29Å; Y126-L139 PolarHBondContact O-N 3.26Å; Y126-F144 HydrophobicContact CD1-CB 4.31Å; Y126-F144 AromaticContact CD1-CD1 3.59Å; Y126-F144 HydrophobicContact CD1-CD1 3.59Å; Y126-F144 AromaticContact CD1-CD2 3.62Å; Y126-F144 HydrophobicContact CD1-CD2 3.62Å; Y126-F144 AromaticContact CD1-CE1 3.75Å; Y126-F144 HydrophobicContact CD1-CE1 3.75Å; Y126-F144 AromaticContact CD1-CE2 3.74Å; Y126-F144 HydrophobicContact CD1-CE2 3.74Å; Y126-F144 AromaticContact CD1-CG 3.54Å; Y126-F144 HydrophobicContact CD1-CG 3.54Å; Y126-F144 AromaticContact CD1-CZ 3.82Å; Y126-F144 HydrophobicContact CD1-CZ 3.82Å; Y126-F144 HydrophobicContact CD2-CB 3.78Å; Y126-F144 HydrophobicContact CD2-CD1 4.32Å; Y126-F144 HydrophobicContact CD2-CD2 4.47Å; Y126-F144 AromaticContact CD2-CG 3.93Å; Y126-F144 HydrophobicContact CD2-CG 3.93Å; Y126-F144 AromaticContact CE1-CD1 3.7Å; Y126-F144 HydrophobicContact CE1-CD1 3.7Å; Y126-F144 AromaticContact CE1-CE1 3.79Å; Y126-F144 HydrophobicContact CE1-CE1 3.79Å; Y126-F144 HydrophobicContact CE1-CG 4.11Å; Y126-F144 HydrophobicContact CE1-CZ 4.25Å; Y126-F144 HydrophobicContact CE2-CB 4.42Å; Y126-F144 HydrophobicContact CE2-CD1 4.45Å; Y126-F144 HydrophobicContact CE2-CG 4.49Å; Y126-F144 HydrophobicContact CG-CB 3.74Å; Y126-F144 AromaticContact CG-CD1 3.92Å; Y126-F144 HydrophobicContact CG-CD1 3.92Å; Y126-F144 AromaticContact CG-CD2 3.58Å; Y126-F144 HydrophobicContact CG-CD2 3.58Å; Y126-F144 HydrophobicContact CG-CE1 4.49Å; Y126-F144 HydrophobicContact CG-CE2 4.16Å; Y126-F144 AromaticContact CG-CG 3.43Å; Y126-F144 HydrophobicContact CG-CG 3.43Å; Y126-F144 VanDerWaalsContact CG-CG 3.43Å; Y126-F154 HydrophobicContact CD1-CD2 4.08Å; Y126-F154 HydrophobicContact CD1-CE2 4.15Å; Y126-F154 HydrophobicContact CE1-CE2 4.36Å; Y126-N155 CarbonylContact C-O 3.55Å; Y126-N155 WeakPolarHBondContact CA-O 3.5Å; Y126-M156 HydrophobicContact CD1-CB 4.19Å; Y126-M156 HydrophobicContact CE1-CB 4.03Å; Y126-M156 HydrophobicContact CE1-CG 4.12Å
127	R	97.5	Very high	95.3	Very high	71 Å²	71	55.9 Å²	55.9	27%	0.268	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110.9	170.9	176.5	176.2	-59.3	163.1	2.7	108.8	P135 M137 F154 N155 F157	R127-P135 WeakPolarHBondContact CD-O 3.39Å; R127-P135 PolarHBondContact NE-O 3.09Å; R127-P135 PolarHBondContact NH1-O 3.4Å; R127-P135 PolarHBondContact NH2-O 2.94Å; R127-M137 VanDerWaalsContact CG-O 3.31Å; R127-M137 WeakPolarHBondContact CG-O 3.47Å; R127-M137 PolarHBondContact NE-O 3.41Å; R127-F154 CarbonylContact O-C 3.43Å; R127-F154 WeakPolarHBondContact O-CA 3.44Å; R127-F154 WeakPolarHBondContact O-CB 3.37Å; R127-N155 WeakPolarHBondContact CB-OD1 3.22Å; R127-N155 PolarHBondContact N-O 2.9Å; R127-N155 PolarHBondContact O-N 2.89Å; R127-F157 HydrophobicContact CB-CD1 4.24Å; R127-F157 HydrophobicContact CB-CE1 3.88Å
128	C	98.1	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	103.8	173.5	-174.9	0	0	0	0	109.6	T130 C131 G132 M137 H149 H152 D153 F154	C128-T130 PolarHBondContact O-N 3.38Å; C128-C131 HydrophobicContact CB-CB 4.2Å; C128-C131 PolarHBondContact O-N 2.92Å; C128-C131 PolarHBondContact SG-N 3.48Å; C128-G132 PolarHBondContact O-N 3.41Å; C128-M137 HydrophobicContact CB-CE 3.98Å; C128-M137 WeakPolarHBondContact O-CE 3.2Å; C128-H149 PolarHBondContact SG-ND1 3.44Å; C128-H152 WeakPolarHBondContact SG-CB 3.34Å; C128-H152 PolarHBondContact SG-ND1 2.91Å; C128-D153 CarbonylContact C-O 3.52Å; C128-F154 HydrophobicContact CB-CB 4.41Å
129	R	97	Very high	95.7	Very high	125 Å²	125	47.5 Å²	47.5	47%	0.472	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.8	177.6	-72.9	-179.5	-80	-105.4	-7.9	112.8	D153 N155	R129-D153 HydrophobicContact CB-CB 4.37Å; R129-D153 WeakPolarHBondContact CB-O 3.39Å; R129-D153 WeakPolarHBondContact CB-OD2 3.38Å; R129-D153 WeakPolarHBondContact CD-OD2 3.48Å; R129-D153 IonicContact CZ-OD1 3.42Å; R129-D153 VanDerWaalsContact CZ-OD1 3.31Å; R129-D153 IonicContact CZ-OD2 2.98Å; R129-D153 PolarHBondContact N-O 3.21Å; R129-D153 IonicContact NE-OD1 3.26Å; R129-D153 PolarHBondContact NE-OD1 3.08Å; R129-D153 IonicContact NE-OD2 2.85Å; R129-D153 PolarHBondContact NE-OD2 3.5Å; R129-D153 IonicContact NH2-OD1 2.59Å; R129-D153 PolarHBondContact NH2-OD1 3.36Å; R129-D153 IonicContact NH2-OD2 2.89Å; R129-N155 PolarHBondContact NH1-ND2 3.1Å
130	T	97.7	Very high	95.9	Very high	56 Å²	56	47.1 Å²	47.1	34%	0.344	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-44.5	173.5	-53.7	0	0	0	0	112.2	C128 H152 D153 K174	C128-T130 PolarHBondContact O-N 3.38Å; T130-H152 HydrophobicContact CG2-CB 4.38Å; T130-D153 PolarHBondContact OG1-N 2.96Å; T130-K174 WeakPolarHBondContact O-CE 3.49Å; T130-K174 PolarHBondContact O-NZ 3.09Å
131	C	97.8	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-24.9	-176.6	-60.1	0	0	0	0	113.5	C128 H149 H152 I173 K174	C128-C131 HydrophobicContact CB-CB 4.2Å; C128-C131 PolarHBondContact O-N 2.92Å; C128-C131 PolarHBondContact SG-N 3.48Å; C131-H149 VanDerWaalsContact SG-CE1 3.55Å; C131-H149 PolarHBondContact SG-ND1 3.41Å; C131-H149 VanDerWaalsContact SG-ND1 3.43Å; C131-H152 PolarHBondContact SG-CE1 3.25Å; C131-H152 PolarHBondContact SG-ND1 3.49Å; C131-I173 HydrophobicContact CB-CD1 4.23Å; C131-I173 HydrophobicContact CB-CG1 4Å; C131-K174 WeakPolarHBondContact O-CG 3.34Å; C131-K174 PolarHBondContact O-N 3.16Å
132	G	96.9	Very high	96.3	Very high	14 Å²	14	48.1 Å²	48.1	14%	0.144	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-69.3	138.3	-179.3	0	0	0	0	0	112.6	C128	C128-G132 PolarHBondContact O-N 3.41Å
133	L	97.1	Very high	96.6	Very high	96 Å²	96	47.3 Å²	47.3	50%	0.503	25%	0.251	S	S	.	.	S	Bend	trans	-85	-20.6	169.6	-61.1	178.6	0	0	0	111.9	P170 V172 K174	L133-P170 WeakPolarHBondContact CD1-O 3.14Å; L133-V172 PolarHBondContact N-O 3.47Å; L133-K174 HydrophobicContact CD2-CG 3.61Å; L133-K174 HydrophobicContact CG-CG 4.35Å
134	N	94.7	Very high	96.7	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.251	24%	0.238	S	C	.	.	S	Bend	trans	-139.5	161	177.4	66.2	57.6	0	0	0	112.2	S136 M137 V172	N134-S136 PolarHBondContact O-N 3.2Å; N134-S136 WeakPolarHBondContact OD1-CA 3.17Å; N134-S136 PolarHBondContact OD1-N 3.38Å; N134-S136 PolarHBondContact OD1-OG 2.93Å; N134-M137 PolarHBondContact O-N 3.46Å; N134-M137 PolarHBondContact OD1-N 2.89Å; N134-V172 WeakPolarHBondContact ND2-CG1 3.49Å
135	P	93.8	Very high	96.7	Very high	109 Å²	109	46.1 Å²	46.1	71%	0.708	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.3	-179.5	-19.7	33.3	0	0	0	114.9	R127	R127-P135 WeakPolarHBondContact CD-O 3.39Å; R127-P135 PolarHBondContact NE-O 3.09Å; R127-P135 PolarHBondContact NH1-O 3.4Å; R127-P135 PolarHBondContact NH2-O 2.94Å
136	S	92.9	Very high	96.5	Very high	81 Å²	81	49.8 Å²	49.8	57%	0.566	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-18.9	178.1	35.1	0	0	0	0	113.2	N134 S138	N134-S136 PolarHBondContact O-N 3.2Å; N134-S136 WeakPolarHBondContact OD1-CA 3.17Å; N134-S136 PolarHBondContact OD1-N 3.38Å; N134-S136 PolarHBondContact OD1-OG 2.93Å; S136-S138 PolarHBondContact O-N 2.87Å
137	M	96.2	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.			trans	-52.1	137.4	-176.8	-174.7	-78.8	-76.1	0	0	112.1	R127 C128 N134 L139 D166 I173	R127-M137 VanDerWaalsContact CG-O 3.31Å; R127-M137 WeakPolarHBondContact CG-O 3.47Å; R127-M137 PolarHBondContact NE-O 3.41Å; C128-M137 HydrophobicContact CB-CE 3.98Å; C128-M137 WeakPolarHBondContact O-CE 3.2Å; N134-M137 PolarHBondContact O-N 3.46Å; N134-M137 PolarHBondContact OD1-N 2.89Å; M137-L139 HydrophobicContact SD-CD1 4.43Å; M137-L139 HydrophobicContact SD-CD2 4.36Å; M137-L139 HydrophobicContact SD-CG 3.89Å; M137-D166 VanDerWaalsContact CA-OD2 3.26Å; M137-D166 WeakPolarHBondContact CA-OD2 3.43Å; M137-D166 HydrophobicContact CG-CB 3.84Å; M137-I173 HydrophobicContact CE-CD1 4.12Å; M137-I173 HydrophobicContact CE-CG1 4.43Å; M137-I173 HydrophobicContact CG-CB 4.38Å; M137-I173 HydrophobicContact SD-CD1 4.09Å
138	S	97.1	Very high	96.3	Very high	11 Å²	11	54.9 Å²	54.9	8%	0.077	30%	0.3	C	S	.	.			trans	-146.8	139.5	-179.2	58.7	0	0	0	0	113.2	W119 Y126 S136 A164 D166	W119-S138 WeakPolarHBondContact CZ2-OG 3.44Å; Y126-S138 CarbonylContact O-C 3.57Å; Y126-S138 VanDerWaalsContact O-CA 3.29Å; Y126-S138 WeakPolarHBondContact O-CA 3.42Å; S136-S138 PolarHBondContact O-N 2.87Å; S138-A164 PolarHBondContact OG-O 3.27Å; S138-A164 VanDerWaalsContact OG-O 3.13Å; S138-D166 PolarHBondContact N-OD2 2.69Å; S138-D166 WeakPolarHBondContact O-CB 3.1Å; S138-D166 PolarHBondContact O-N 2.95Å; S138-D166 PolarHBondContact OG-OD2 3.17Å
139	L	97.8	Very high	96.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-115.5	143.9	178.2	-63.4	172.6	0	0	0	109.9	A125 Y126 M137 C143 F144 H149 C167 I173	A125-L139 WeakPolarHBondContact CA-O 3.24Å; Y126-L139 PolarHBondContact N-O 3.29Å; Y126-L139 PolarHBondContact O-N 3.26Å; M137-L139 HydrophobicContact SD-CD1 4.43Å; M137-L139 HydrophobicContact SD-CD2 4.36Å; M137-L139 HydrophobicContact SD-CG 3.89Å; L139-C143 HydrophobicContact CB-CB 4.46Å; L139-C143 HydrophobicContact CD2-CB 4.25Å; L139-F144 HydrophobicContact CB-CB 4.3Å; L139-H149 WeakPolarHBondContact CD1-NE2 3.43Å; L139-C167 HydrophobicContact CD2-CB 3.71Å; L139-I173 HydrophobicContact CD1-CD1 4.1Å; L139-I173 HydrophobicContact CD2-CD1 3.83Å; L139-I173 HydrophobicContact CG-CD1 4.32Å
140	C	97.6	Very high	96	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.02	31%	0.309	C	S	.	.			trans	-69.8	166	165	74.5	0	0	0	0	110.5	L117 W119 F123 E142 C143 F144 C165	L117-C140 HydrophobicContact CD2-CB 3.55Å; W119-C140 HydrophobicContact CZ3-CB 4.14Å; F123-C140 HydrophobicContact CE1-CB 4.41Å; F123-C140 HydrophobicContact CZ-CB 4.42Å; C140-E142 VanDerWaalsContact C-N 3.28Å; C140-E142 PolarHBondContact O-N 3.28Å; C140-C143 PolarHBondContact O-N 3.25Å; C140-C143 PolarHBondContact SG-N 2.88Å; C140-C143 VanDerWaalsContact SG-N 3.37Å; C140-C143 PolarHBondContact SG-SG 3.45Å; C140-F144 WeakPolarHBondContact O-CB 3.41Å; C140-F144 PolarHBondContact O-N 3.47Å; C140-C165 HydrophobicContact CB-CB 4.32Å; C140-C165 PolarHBondContact N-SG 3.5Å
141	S	96.7	Very high	95.8	Very high	56 Å²	56	56.5 Å²	56.5	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-39.6	179.4	54.9	0	0	0	0	113	L145	S141-L145 WeakPolarHBondContact O-CB 3.48Å; S141-L145 VanDerWaalsContact O-CG 3.25Å; S141-L145 WeakPolarHBondContact O-CG 3.07Å; S141-L145 PolarHBondContact O-N 2.98Å
142	E	95.6	Very high	95.8	Very high	151 Å²	151	59.7 Å²	59.7	71%	0.706	35%	0.345	S	S	*	.	H	α-helix	trans	-65.1	-50.9	-179.1	-171.5	168.6	-162.7	0	0	111.1	C140 F144 L145 S146	C140-E142 VanDerWaalsContact C-N 3.28Å; C140-E142 PolarHBondContact O-N 3.28Å; E142-F144 VanDerWaalsContact C-N 3.35Å; E142-F144 PolarHBondContact O-N 3.32Å; E142-L145 PolarHBondContact O-N 2.87Å; E142-S146 WeakPolarHBondContact O-CB 3.36Å; E142-S146 PolarHBondContact O-N 3.29Å; E142-S146 PolarHBondContact O-OG 3.3Å
143	C	96.4	Very high	95.9	Very high	13 Å²	13	63 Å²	63	9%	0.088	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-39.4	177.5	-67.3	0	0	0	0	112.6	C115 L139 C140 L145 S146 G147 C165 C167	C115-C143 VanDerWaalsContact SG-SG 3.63Å; L139-C143 HydrophobicContact CB-CB 4.46Å; L139-C143 HydrophobicContact CD2-CB 4.25Å; C140-C143 PolarHBondContact O-N 3.25Å; C140-C143 PolarHBondContact SG-N 2.88Å; C140-C143 VanDerWaalsContact SG-N 3.37Å; C140-C143 PolarHBondContact SG-SG 3.45Å; C143-L145 VanDerWaalsContact C-N 3.35Å; C143-L145 PolarHBondContact O-N 3.15Å; C143-S146 WeakPolarHBondContact CA-OG 3.48Å; C143-S146 PolarHBondContact O-OG 3.37Å; C143-G147 WeakPolarHBondContact O-CA 3.45Å; C143-G147 PolarHBondContact O-N 3.19Å; C143-C165 VanDerWaalsContact SG-SG 3.67Å; C143-C167 HydrophobicContact CB-CB 3.72Å; C143-C167 WeakPolarHBondContact SG-CB 3.47Å
144	F	97.8	Very high	95.9	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-42.6	176.8	176.1	-91.6	0	0	0	112.2	Y126 L139 C140 E142 H149 E150 F154	Y126-F144 HydrophobicContact CD1-CB 4.31Å; Y126-F144 AromaticContact CD1-CD1 3.59Å; Y126-F144 HydrophobicContact CD1-CD1 3.59Å; Y126-F144 AromaticContact CD1-CD2 3.62Å; Y126-F144 HydrophobicContact CD1-CD2 3.62Å; Y126-F144 AromaticContact CD1-CE1 3.75Å; Y126-F144 HydrophobicContact CD1-CE1 3.75Å; Y126-F144 AromaticContact CD1-CE2 3.74Å; Y126-F144 HydrophobicContact CD1-CE2 3.74Å; Y126-F144 AromaticContact CD1-CG 3.54Å; Y126-F144 HydrophobicContact CD1-CG 3.54Å; Y126-F144 AromaticContact CD1-CZ 3.82Å; Y126-F144 HydrophobicContact CD1-CZ 3.82Å; Y126-F144 HydrophobicContact CD2-CB 3.78Å; Y126-F144 HydrophobicContact CD2-CD1 4.32Å; Y126-F144 HydrophobicContact CD2-CD2 4.47Å; Y126-F144 AromaticContact CD2-CG 3.93Å; Y126-F144 HydrophobicContact CD2-CG 3.93Å; Y126-F144 AromaticContact CE1-CD1 3.7Å; Y126-F144 HydrophobicContact CE1-CD1 3.7Å; Y126-F144 AromaticContact CE1-CE1 3.79Å; Y126-F144 HydrophobicContact CE1-CE1 3.79Å; Y126-F144 HydrophobicContact CE1-CG 4.11Å; Y126-F144 HydrophobicContact CE1-CZ 4.25Å; Y126-F144 HydrophobicContact CE2-CB 4.42Å; Y126-F144 HydrophobicContact CE2-CD1 4.45Å; Y126-F144 HydrophobicContact CE2-CG 4.49Å; Y126-F144 HydrophobicContact CG-CB 3.74Å; Y126-F144 AromaticContact CG-CD1 3.92Å; Y126-F144 HydrophobicContact CG-CD1 3.92Å; Y126-F144 AromaticContact CG-CD2 3.58Å; Y126-F144 HydrophobicContact CG-CD2 3.58Å; Y126-F144 HydrophobicContact CG-CE1 4.49Å; Y126-F144 HydrophobicContact CG-CE2 4.16Å; Y126-F144 AromaticContact CG-CG 3.43Å; Y126-F144 HydrophobicContact CG-CG 3.43Å; Y126-F144 VanDerWaalsContact CG-CG 3.43Å; L139-F144 HydrophobicContact CB-CB 4.3Å; C140-F144 WeakPolarHBondContact O-CB 3.41Å; C140-F144 PolarHBondContact O-N 3.47Å; E142-F144 VanDerWaalsContact C-N 3.35Å; E142-F144 PolarHBondContact O-N 3.32Å; F144-H149 HydrophobicContact CD2-CB 3.57Å; F144-H149 HydrophobicContact CE2-CB 3.29Å; F144-H149 HydrophobicContact CG-CB 4.37Å; F144-H149 HydrophobicContact CZ-CB 3.86Å; F144-H149 PolarHBondContact O-CD2 3.04Å; F144-H149 VanDerWaalsContact O-CD2 3.28Å; F144-H149 PolarHBondContact O-N 3.36Å; F144-E150 HydrophobicContact CE1-CG 4.29Å; F144-F154 HydrophobicContact CE1-CE2 4.26Å; F144-F154 HydrophobicContact CE1-CZ 4.37Å; F144-F154 HydrophobicContact CE2-CB 3.93Å; F144-F154 HydrophobicContact CE2-CD1 4.03Å; F144-F154 AromaticContact CE2-CD2 3.59Å; F144-F154 HydrophobicContact CE2-CD2 3.59Å; F144-F154 HydrophobicContact CE2-CE1 4.48Å; F144-F154 HydrophobicContact CE2-CE2 4.09Å; F144-F154 AromaticContact CE2-CG 3.58Å; F144-F154 HydrophobicContact CE2-CG 3.58Å; F144-F154 HydrophobicContact CZ-CB 4.5Å; F144-F154 AromaticContact CZ-CD1 3.78Å; F144-F154 HydrophobicContact CZ-CD1 3.78Å; F144-F154 AromaticContact CZ-CD2 3.52Å; F144-F154 HydrophobicContact CZ-CD2 3.52Å; F144-F154 AromaticContact CZ-CE1 3.78Å; F144-F154 HydrophobicContact CZ-CE1 3.78Å; F144-F154 AromaticContact CZ-CE2 3.51Å; F144-F154 HydrophobicContact CZ-CE2 3.51Å; F144-F154 AromaticContact CZ-CG 3.67Å; F144-F154 HydrophobicContact CZ-CG 3.67Å; F144-F154 AromaticContact CZ-CZ 3.65Å; F144-F154 HydrophobicContact CZ-CZ 3.65Å
145	L	96.1	Very high	96	Very high	92 Å²	92	61.9 Å²	61.9	48%	0.482	35%	0.35	S	S	.	.	H	α-helix	trans	-74.5	-43.1	179.9	-67.4	171.3	0	0	0	111.3	S141 E142 C143 G147 Y148	S141-L145 WeakPolarHBondContact O-CB 3.48Å; S141-L145 VanDerWaalsContact O-CG 3.25Å; S141-L145 WeakPolarHBondContact O-CG 3.07Å; S141-L145 PolarHBondContact O-N 2.98Å; E142-L145 PolarHBondContact O-N 2.87Å; C143-L145 VanDerWaalsContact C-N 3.35Å; C143-L145 PolarHBondContact O-N 3.15Å; L145-G147 VanDerWaalsContact C-N 3.28Å; L145-G147 PolarHBondContact O-N 2.97Å; L145-Y148 PolarHBondContact O-N 3.14Å
146	S	94.6	Very high	96.1	Very high	77 Å²	77	62.2 Å²	62.2	54%	0.538	34%	0.344	S	S	.	.	H	α-helix	trans	-70.5	-24.4	179.8	67.1	0	0	0	0	113.4	E142 C143 Y148	E142-S146 WeakPolarHBondContact O-CB 3.36Å; E142-S146 PolarHBondContact O-N 3.29Å; E142-S146 PolarHBondContact O-OG 3.3Å; C143-S146 WeakPolarHBondContact CA-OG 3.48Å; C143-S146 PolarHBondContact O-OG 3.37Å; S146-Y148 WeakPolarHBondContact O-CD2 3.4Å; S146-Y148 VanDerWaalsContact O-CE2 3.3Å; S146-Y148 WeakPolarHBondContact O-CE2 3.46Å
147	G	94.9	Very high	96.3	Very high	23 Å²	23	60.7 Å²	60.7	24%	0.237	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	3.6	176.7	0	0	0	0	0	114.5	C143 L145 H149	C143-G147 WeakPolarHBondContact O-CA 3.45Å; C143-G147 PolarHBondContact O-N 3.19Å; L145-G147 VanDerWaalsContact C-N 3.28Å; L145-G147 PolarHBondContact O-N 2.97Å; G147-H149 VanDerWaalsContact C-CD2 3.49Å; G147-H149 VanDerWaalsContact C-N 3.34Å; G147-H149 PolarHBondContact O-CD2 3Å; G147-H149 PolarHBondContact O-N 3.3Å
148	Y	95.5	Very high	96.4	Very high	194 Å²	194	67.2 Å²	67.2	76%	0.761	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	37.9	175.7	-54.2	-81.7	0	0	0	115.2	L145 S146 E150	L145-Y148 PolarHBondContact O-N 3.14Å; S146-Y148 WeakPolarHBondContact O-CD2 3.4Å; S146-Y148 VanDerWaalsContact O-CE2 3.3Å; S146-Y148 WeakPolarHBondContact O-CE2 3.46Å; Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.03Å
149	H	96.5	Very high	96.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-79.1	1.3	-176.3	-62.7	-96.3	0	0	0	115	C128 C131 L139 F144 G147 G151 H152 F154 G177	C128-H149 PolarHBondContact SG-ND1 3.44Å; C131-H149 VanDerWaalsContact SG-CE1 3.55Å; C131-H149 PolarHBondContact SG-ND1 3.41Å; C131-H149 VanDerWaalsContact SG-ND1 3.43Å; L139-H149 WeakPolarHBondContact CD1-NE2 3.43Å; F144-H149 HydrophobicContact CD2-CB 3.57Å; F144-H149 HydrophobicContact CE2-CB 3.29Å; F144-H149 HydrophobicContact CG-CB 4.37Å; F144-H149 HydrophobicContact CZ-CB 3.86Å; F144-H149 PolarHBondContact O-CD2 3.04Å; F144-H149 VanDerWaalsContact O-CD2 3.28Å; F144-H149 PolarHBondContact O-N 3.36Å; G147-H149 VanDerWaalsContact C-CD2 3.49Å; G147-H149 VanDerWaalsContact C-N 3.34Å; G147-H149 PolarHBondContact O-CD2 3Å; G147-H149 PolarHBondContact O-N 3.3Å; H149-G151 PolarHBondContact O-N 3.32Å; H149-G151 VanDerWaalsContact O-N 3.14Å; H149-H152 AromaticContact ND1-ND1 3.7Å; H149-H152 WeakPolarHBondContact O-CB 3.23Å; H149-H152 PolarHBondContact O-N 3.46Å; H149-F154 WeakPolarHBondContact O-CD1 3.42Å; H149-G177 VanDerWaalsContact CE1-CA 3.5Å; H149-G177 WeakPolarHBondContact CE1-CA 3.47Å; H149-G177 PolarHBondContact CE1-OXT 2.97Å; H149-G177 PolarHBondContact NE2-OXT 3.21Å
150	E	91.7	Very high	96.1	Very high	139 Å²	139	78.4 Å²	78.4	65%	0.65	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-60.7	-25.5	-173	-62.9	177.3	157.9	0	0	113.9	F144 Y148	F144-E150 HydrophobicContact CE1-CG 4.29Å; Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.03Å
151	G	95	Very high	95.8	Very high	77 Å²	77	82.9 Å²	82.9	79%	0.794	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-92.1	-1.3	176.4	0	0	0	0	0	114.9	H149	H149-G151 PolarHBondContact O-N 3.32Å; H149-G151 VanDerWaalsContact O-N 3.14Å
152	H	97.8	Very high	95.5	Very high	67 Å²	67	82 Å²	82	31%	0.31	42%	0.421	S	S	.	.	S	Bend	trans	-89.8	169.2	-177.6	-66.6	173.1	0	0	0	112	C128 T130 C131 H149 F154	C128-H152 WeakPolarHBondContact SG-CB 3.34Å; C128-H152 PolarHBondContact SG-ND1 2.91Å; T130-H152 HydrophobicContact CG2-CB 4.38Å; C131-H152 PolarHBondContact SG-CE1 3.25Å; C131-H152 PolarHBondContact SG-ND1 3.49Å; H149-H152 AromaticContact ND1-ND1 3.7Å; H149-H152 WeakPolarHBondContact O-CB 3.23Å; H149-H152 PolarHBondContact O-N 3.46Å; H152-F154 WeakPolarHBondContact O-CD1 3.43Å; H152-F154 PolarHBondContact O-N 3.48Å; H152-F154 VanDerWaalsContact O-N 3.14Å
153	D	97.5	Very high	95.4	Very high	83 Å²	83	76.2 Å²	76.2	44%	0.444	40%	0.402	S	S	.	.	S	Bend	trans	-73.4	104.6	165	175.3	18	0	0	0	108.4	C128 R129 T130	C128-D153 CarbonylContact C-O 3.52Å; R129-D153 HydrophobicContact CB-CB 4.37Å; R129-D153 WeakPolarHBondContact CB-O 3.39Å; R129-D153 WeakPolarHBondContact CB-OD2 3.38Å; R129-D153 WeakPolarHBondContact CD-OD2 3.48Å; R129-D153 IonicContact CZ-OD1 3.42Å; R129-D153 VanDerWaalsContact CZ-OD1 3.31Å; R129-D153 IonicContact CZ-OD2 2.98Å; R129-D153 PolarHBondContact N-O 3.21Å; R129-D153 IonicContact NE-OD1 3.26Å; R129-D153 PolarHBondContact NE-OD1 3.08Å; R129-D153 IonicContact NE-OD2 2.85Å; R129-D153 PolarHBondContact NE-OD2 3.5Å; R129-D153 IonicContact NH2-OD1 2.59Å; R129-D153 PolarHBondContact NH2-OD1 3.36Å; R129-D153 IonicContact NH2-OD2 2.89Å; T130-D153 PolarHBondContact OG1-N 2.96Å
154	F	97.5	Very high	95.4	Very high	69 Å²	69	77.4 Å²	77.4	30%	0.303	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.5	177.8	77.5	-88.6	0	0	0	112.6	Y126 R127 C128 F144 H149 H152	Y126-F154 HydrophobicContact CD1-CD2 4.08Å; Y126-F154 HydrophobicContact CD1-CE2 4.15Å; Y126-F154 HydrophobicContact CE1-CE2 4.36Å; R127-F154 CarbonylContact O-C 3.43Å; R127-F154 WeakPolarHBondContact O-CA 3.44Å; R127-F154 WeakPolarHBondContact O-CB 3.37Å; C128-F154 HydrophobicContact CB-CB 4.41Å; F144-F154 HydrophobicContact CE1-CE2 4.26Å; F144-F154 HydrophobicContact CE1-CZ 4.37Å; F144-F154 HydrophobicContact CE2-CB 3.93Å; F144-F154 HydrophobicContact CE2-CD1 4.03Å; F144-F154 AromaticContact CE2-CD2 3.59Å; F144-F154 HydrophobicContact CE2-CD2 3.59Å; F144-F154 HydrophobicContact CE2-CE1 4.48Å; F144-F154 HydrophobicContact CE2-CE2 4.09Å; F144-F154 AromaticContact CE2-CG 3.58Å; F144-F154 HydrophobicContact CE2-CG 3.58Å; F144-F154 HydrophobicContact CZ-CB 4.5Å; F144-F154 AromaticContact CZ-CD1 3.78Å; F144-F154 HydrophobicContact CZ-CD1 3.78Å; F144-F154 AromaticContact CZ-CD2 3.52Å; F144-F154 HydrophobicContact CZ-CD2 3.52Å; F144-F154 AromaticContact CZ-CE1 3.78Å; F144-F154 HydrophobicContact CZ-CE1 3.78Å; F144-F154 AromaticContact CZ-CE2 3.51Å; F144-F154 HydrophobicContact CZ-CE2 3.51Å; F144-F154 AromaticContact CZ-CG 3.67Å; F144-F154 HydrophobicContact CZ-CG 3.67Å; F144-F154 AromaticContact CZ-CZ 3.65Å; F144-F154 HydrophobicContact CZ-CZ 3.65Å; H149-F154 WeakPolarHBondContact O-CD1 3.42Å; H152-F154 WeakPolarHBondContact O-CD1 3.43Å; H152-F154 PolarHBondContact O-N 3.48Å; H152-F154 VanDerWaalsContact O-N 3.14Å
155	N	96.9	Very high	95.4	Very high	50 Å²	50	77.5 Å²	77.5	27%	0.267	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.6	160.4	66.6	25	0	0	0	111.1	Y126 R127 R129	Y126-N155 CarbonylContact C-O 3.55Å; Y126-N155 WeakPolarHBondContact CA-O 3.5Å; R127-N155 WeakPolarHBondContact CB-OD1 3.22Å; R127-N155 PolarHBondContact N-O 2.9Å; R127-N155 PolarHBondContact O-N 2.89Å; R129-N155 PolarHBondContact NH1-ND2 3.1Å
156	M	97.1	Very high	95.4	Very high	117 Å²	117	74.7 Å²	74.7	58%	0.576	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.3	165.1	-178.9	-172.1	70.6	0	0	107.6	I124 A125 Y126	I124-M156 HydrophobicContact CG2-CG 3.55Å; I124-M156 HydrophobicContact CG2-SD 3.7Å; A125-M156 WeakPolarHBondContact O-CA 3.4Å; Y126-M156 HydrophobicContact CD1-CB 4.19Å; Y126-M156 HydrophobicContact CE1-CB 4.03Å; Y126-M156 HydrophobicContact CE1-CG 4.12Å
157	F	96.6	Very high	95.5	Very high	49 Å²	49	72.3 Å²	72.3	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.4	178.5	68	-84.5	0	0	0	111.4	A125 R127	A125-F157 HydrophobicContact CB-CE1 3.92Å; A125-F157 HydrophobicContact CB-CE2 4.05Å; A125-F157 HydrophobicContact CB-CZ 3.62Å; A125-F157 PolarHBondContact N-O 2.94Å; A125-F157 WeakPolarHBondContact O-CD1 3.43Å; A125-F157 PolarHBondContact O-N 3.17Å; R127-F157 HydrophobicContact CB-CD1 4.24Å; R127-F157 HydrophobicContact CB-CE1 3.88Å
158	R	97	Very high	95.4	Very high	137 Å²	137	72.7 Å²	72.7	52%	0.517	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.8	168.4	-171	177.2	-69.9	-97.6	9.8	108.3	G122 F123 I124 R160	G122-R158 WeakPolarHBondContact O-CG 3.12Å; G122-R158 PolarHBondContact O-NH1 3.31Å; F123-R158 CarbonylContact O-C 3.43Å; F123-R158 WeakPolarHBondContact O-CA 3.47Å; I124-R158 HydrophobicContact CD1-CB 3.87Å; I124-R158 HydrophobicContact CD1-CG 4.01Å; R158-R160 PolarHBondContact O-N 3.08Å
159	S	94.8	Very high	95.3	Very high	9 Å²	9	66.2 Å²	66.2	6%	0.063	37%	0.365	C	S	.	.			trans	-62.9	122.5	-178.8	-165.2	0	0	0	0	110.3	G122 F123 T161	G122-S159 PolarHBondContact N-O 3.49Å; F123-S159 PolarHBondContact O-N 2.9Å; S159-T161 VanDerWaalsContact C-N 3.35Å; S159-T161 WeakPolarHBondContact CB-O 3.25Å; S159-T161 PolarHBondContact OG-O 2.98Å
160	R	93.9	Very high	95.2	Very high	236 Å²	236	71.5 Å²	71.5	89%	0.891	40%	0.399	S	S	*	.	S	Bend	trans	-78.7	-25.4	176	-67.3	-172.2	-178.9	-175.2	0.4	112.2	P121 R158	P121-R160 WeakPolarHBondContact CB-O 3.41Å; R158-R160 PolarHBondContact O-N 3.08Å
161	T	92	Very high	95.4	Very high	98 Å²	98	68.7 Å²	68.7	60%	0.601	40%	0.395	S	S	*	.	S	Bend	trans	-114.5	178.8	176.7	56	0	0	0	0	109.3	P121 S159	P121-T161 WeakPolarHBondContact CA-O 3.29Å; S159-T161 VanDerWaalsContact C-N 3.35Å; S159-T161 WeakPolarHBondContact CB-O 3.25Å; S159-T161 PolarHBondContact OG-O 2.98Å
162	G	90.4	Very high	95.4	Very high	38 Å²	38	66 Å²	66	39%	0.392	36%	0.363	S	S	.	.			trans	-63.2	172.6	160.4	0	0	0	0	0	111.6	W119	W119-G162 CarbonylContact O-C 3.5Å; W119-G162 WeakPolarHBondContact O-CA 3.48Å
163	G	94.3	Very high	95.3	Very high	29 Å²	29	63 Å²	63	30%	0.299	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-178.2	176.8	0	0	0	0	0	111.8	V118 W119	V118-G163 CarbonylContact C-O 3.51Å; V118-G163 WeakPolarHBondContact CA-O 3.4Å; V118-G163 WeakPolarHBondContact CG1-O 3.46Å; W119-G163 PolarHBondContact N-O 3.09Å; W119-G163 PolarHBondContact O-N 3.22Å
164	A	96	Very high	95.2	Very high	37 Å²	37	62.7 Å²	62.7	31%	0.306	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.7	178.1	0	0	0	0	0	111.6	L117 V118 W119 S138 D166	L117-A164 CarbonylContact O-C 3.54Å; L117-A164 WeakPolarHBondContact O-CA 3.36Å; V118-A164 HydrophobicContact CG2-CB 4.16Å; W119-A164 WeakPolarHBondContact CH2-O 3.28Å; W119-A164 VanDerWaalsContact CZ3-C 3.46Å; S138-A164 PolarHBondContact OG-O 3.27Å; S138-A164 VanDerWaalsContact OG-O 3.13Å; A164-D166 PolarHBondContact O-N 2.96Å
165	C	97	Very high	94.9	Very high	7 Å²	7	69 Å²	69	5%	0.047	37%	0.374	C	S	.	.			trans	-73.5	123.7	175.9	-168.8	0	0	0	0	110.4	C115 G116 L117 W119 C140 C143 C167	C115-C165 HydrophobicContact CB-CB 4.02Å; G116-C165 PolarHBondContact N-O 3.35Å; L117-C165 HydrophobicContact CB-CB 4.02Å; L117-C165 PolarHBondContact O-N 2.83Å; W119-C165 HydrophobicContact CH2-CB 4.32Å; W119-C165 HydrophobicContact CZ3-CB 3.82Å; C140-C165 HydrophobicContact CB-CB 4.32Å; C140-C165 PolarHBondContact N-SG 3.5Å; C143-C165 VanDerWaalsContact SG-SG 3.67Å; C165-C167 VanDerWaalsContact C-N 3.34Å; C165-C167 VanDerWaalsContact SG-CB 3.55Å
166	D	96.8	Very high	94.4	Very high	33 Å²	33	72.6 Å²	72.6	18%	0.176	39%	0.389	C	S	.	.			trans	-88.9	1.2	-179.4	-66.8	-51.7	0	0	0	113.4	M137 S138 A164 G168 D169 V172 I173	M137-D166 VanDerWaalsContact CA-OD2 3.26Å; M137-D166 WeakPolarHBondContact CA-OD2 3.43Å; M137-D166 HydrophobicContact CG-CB 3.84Å; S138-D166 PolarHBondContact N-OD2 2.69Å; S138-D166 WeakPolarHBondContact O-CB 3.1Å; S138-D166 PolarHBondContact O-N 2.95Å; S138-D166 PolarHBondContact OG-OD2 3.17Å; A164-D166 PolarHBondContact O-N 2.96Å; D166-G168 PolarHBondContact O-N 3.42Å; D166-D169 PolarHBondContact O-N 3.43Å; D166-D169 VanDerWaalsContact O-N 3.1Å; D166-V172 HydrophobicContact CB-CG2 3.65Å; D166-I173 WeakPolarHBondContact O-CG2 3.38Å
167	C	95.8	Very high	93.8	Very high	27 Å²	27	68.2 Å²	68.2	18%	0.182	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	128	176.9	178.6	0	0	0	0	110	A114 C115 L139 C143 C165 D169	A114-C167 CarbonylContact C-O 3.4Å; A114-C167 WeakPolarHBondContact CA-O 3.43Å; C115-C167 HydrophobicContact CB-CB 3.77Å; C115-C167 PolarHBondContact N-O 3.38Å; L139-C167 HydrophobicContact CD2-CB 3.71Å; C143-C167 HydrophobicContact CB-CB 3.72Å; C143-C167 WeakPolarHBondContact SG-CB 3.47Å; C165-C167 VanDerWaalsContact C-N 3.34Å; C165-C167 VanDerWaalsContact SG-CB 3.55Å; C167-D169 VanDerWaalsContact C-N 3.33Å
168	G	93.9	Very high	93.7	Very high	31 Å²	31	69.2 Å²	69.2	32%	0.32	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	2.9	178.1	0	0	0	0	0	115.8	D166 P170	D166-G168 PolarHBondContact O-N 3.42Å; G168-P170 VanDerWaalsContact O-CD 3.29Å; G168-P170 WeakPolarHBondContact O-CD 3.39Å
169	D	93.9	Very high	93.5	Very high	58 Å²	58	65.6 Å²	65.6	31%	0.31	38%	0.375	S	S	.	.			trans	-91.2	103.4	171.6	-177.5	-12.8	0	0	0	111.1	D166 C167 S171 V172 I173	D166-D169 PolarHBondContact O-N 3.43Å; D166-D169 VanDerWaalsContact O-N 3.1Å; C167-D169 VanDerWaalsContact C-N 3.33Å; D169-S171 VanDerWaalsContact CG-OG 3.26Å; D169-S171 PolarHBondContact O-N 2.95Å; D169-S171 VanDerWaalsContact OD1-CB 3.26Å; D169-S171 WeakPolarHBondContact OD1-CB 3.45Å; D169-S171 PolarHBondContact OD1-N 3.41Å; D169-S171 PolarHBondContact OD1-OG 3.24Å; D169-S171 PolarHBondContact OD2-OG 3.11Å; D169-V172 HydrophobicContact CB-CG2 3.71Å; D169-V172 WeakPolarHBondContact O-CG2 3.37Å; D169-V172 PolarHBondContact O-N 2.88Å; D169-I173 WeakPolarHBondContact O-CG2 3.48Å; D169-I173 PolarHBondContact O-N 3.22Å
170	P	93.9	Very high	93.5	Very high	111 Å²	111	68.8 Å²	68.8	72%	0.721	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.4	-175.2	31.1	-37.1	0	0	0	113.6	L133 G168 V172	L133-P170 WeakPolarHBondContact CD1-O 3.14Å; G168-P170 VanDerWaalsContact O-CD 3.29Å; G168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-V172 VanDerWaalsContact C-N 3.34Å
171	S	94.5	Very high	93.4	Very high	79 Å²	79	58.9 Å²	58.9	55%	0.552	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.8	175.2	76.2	0	0	0	0	113.1	D169	D169-S171 VanDerWaalsContact CG-OG 3.26Å; D169-S171 PolarHBondContact O-N 2.95Å; D169-S171 VanDerWaalsContact OD1-CB 3.26Å; D169-S171 WeakPolarHBondContact OD1-CB 3.45Å; D169-S171 PolarHBondContact OD1-N 3.41Å; D169-S171 PolarHBondContact OD1-OG 3.24Å; D169-S171 PolarHBondContact OD2-OG 3.11Å
172	V	95.6	Very high	93.5	Very high	20 Å²	20	56.5 Å²	56.5	12%	0.121	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-19.6	-174.3	-61.7	0	0	0	0	114.6	L133 N134 D166 D169 P170	L133-V172 PolarHBondContact N-O 3.47Å; N134-V172 WeakPolarHBondContact ND2-CG1 3.49Å; D166-V172 HydrophobicContact CB-CG2 3.65Å; D169-V172 HydrophobicContact CB-CG2 3.71Å; D169-V172 WeakPolarHBondContact O-CG2 3.37Å; D169-V172 PolarHBondContact O-N 2.88Å; P170-V172 VanDerWaalsContact C-N 3.34Å
173	I	95.4	Very high	93.7	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-128.1	142.3	175.3	-163.7	161.9	0	0	0	111.3	C131 M137 L139 D166 D169 G177	C131-I173 HydrophobicContact CB-CD1 4.23Å; C131-I173 HydrophobicContact CB-CG1 4Å; M137-I173 HydrophobicContact CE-CD1 4.12Å; M137-I173 HydrophobicContact CE-CG1 4.43Å; M137-I173 HydrophobicContact CG-CB 4.38Å; M137-I173 HydrophobicContact SD-CD1 4.09Å; L139-I173 HydrophobicContact CD1-CD1 4.1Å; L139-I173 HydrophobicContact CD2-CD1 3.83Å; L139-I173 HydrophobicContact CG-CD1 4.32Å; D166-I173 WeakPolarHBondContact O-CG2 3.38Å; D169-I173 WeakPolarHBondContact O-CG2 3.48Å; D169-I173 PolarHBondContact O-N 3.22Å; I173-G177 WeakPolarHBondContact CD1-OXT 3.5Å
174	K	95.4	Very high	93.7	Very high	76 Å²	76	59.8 Å²	59.8	33%	0.33	35%	0.349	S	S	.	.			trans	-67.6	157.6	173.8	-64.6	177	-167.9	167.8	0	110.8	T130 C131 L133 E176 G177	T130-K174 WeakPolarHBondContact O-CE 3.49Å; T130-K174 PolarHBondContact O-NZ 3.09Å; C131-K174 WeakPolarHBondContact O-CG 3.34Å; C131-K174 PolarHBondContact O-N 3.16Å; L133-K174 HydrophobicContact CD2-CG 3.61Å; L133-K174 HydrophobicContact CG-CG 4.35Å; K174-E176 HydrophobicContact CB-CG 4.31Å; K174-E176 WeakPolarHBondContact CD-OE1 3.5Å; K174-E176 PolarHBondContact O-N 3.28Å; K174-G177 PolarHBondContact O-N 3.4Å
175	Q	91	Very high	93.5	Very high	201 Å²	201	61.5 Å²	61.5	94%	0.939	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-27	-178.2	-167.2	175.6	6.6	0	0	113.4	G177	Q175-G177 PolarHBondContact O-N 3.34Å
176	E	87.2	Confident	93.2	Very high	127 Å²	127	66.1 Å²	66.1	59%	0.593	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	0	174.2	65.8	-97.5	-159	0	0	115.1	K174	K174-E176 HydrophobicContact CB-CG 4.31Å; K174-E176 WeakPolarHBondContact CD-OE1 3.5Å; K174-E176 PolarHBondContact O-N 3.28Å
177	G	85.3	Confident	92.9	Very high	25 Å²	25	69.1 Å²	69.1	26%	0.258	40%	0.396	S	S	.	.			trans	-113	0	179.8	0	0	0	0	0	114.5	H149 I173 K174 Q175	H149-G177 VanDerWaalsContact CE1-CA 3.5Å; H149-G177 WeakPolarHBondContact CE1-CA 3.47Å; H149-G177 PolarHBondContact CE1-OXT 2.97Å; H149-G177 PolarHBondContact NE2-OXT 3.21Å; I173-G177 WeakPolarHBondContact CD1-OXT 3.5Å; K174-G177 PolarHBondContact O-N 3.4Å; Q175-G177 PolarHBondContact O-N 3.34Å

Retrieved 177 of 177 residues in 155.5 ms (Link to these results)

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