A0A087XS47_POEFO Loading...

Jagunal homolog 1a

AlphaFold DB (A0A3B3VYA2), UniProt , Accession A0A087XS47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 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	34.9	Very low	45.6	Very low	248 Å²	248	149.9 Å²	149.9	100%	1.222	85%	0.85	S	S	*	*				0	100.5	0	-75.9	169.6	145.2	0	0	108.2
2	T	42.6	Very low	45.9	Very low	133 Å²	133	149.9 Å²	149.9	82%	0.816	86%	0.856	S	S	*	*			trans	-91.9	117.7	171.7	21.6	0	0	0	0	107.4	R4	T2-R4 PolarHBondContact O-N 3.22Å
3	S	45.6	Very low	45.9	Very low	126 Å²	126	147.1 Å²	147.1	88%	0.881	84%	0.837	S	S	*	*			trans	-65	117.2	175.3	59.9	0	0	0	0	108.7
4	R	53.3	Low	46.3	Very low	238 Å²	238	140.1 Å²	140.1	90%	0.898	81%	0.814	S	S	*	*			trans	-114.7	27.2	-172.2	-126	-173.8	-170.4	-171.5	3.4	113.1	T2	T2-R4 PolarHBondContact O-N 3.22Å
5	V	49.4	Very low	46.6	Very low	147 Å²	147	137.2 Å²	137.2	89%	0.891	80%	0.799	S	S	*	*			trans	-136.3	95.3	179.2	-173.3	0	0	0	0	109.5
6	G	47.3	Very low	46.8	Very low	61 Å²	61	136.8 Å²	136.8	63%	0.629	79%	0.792	S	S	*	*			trans	-133.4	153.2	163.3	0	0	0	0	0	108.6	R8	G6-R8 PolarHBondContact O-N 3.31Å
7	P	45.9	Very low	46.9	Very low	124 Å²	124	136.6 Å²	136.6	81%	0.805	78%	0.78	S	S	*	*			trans	-65	134.4	-165.2	-8.8	22.5	0	0	0	111.3	T9	P7-T9 PolarHBondContact O-N 2.84Å; P7-T9 VanDerWaalsContact O-N 3.07Å
8	R	50.5	Low	47.1	Very low	257 Å²	257	137.5 Å²	137.5	97%	0.97	77%	0.774	S	S	*	*			trans	-69	102.2	172.3	-78.5	-178.5	169	146.9	-3.2	109.3	G6	G6-R8 PolarHBondContact O-N 3.31Å
9	T	43.1	Very low	47.4	Very low	126 Å²	126	133.3 Å²	133.3	77%	0.773	75%	0.753	S	S	*	*			trans	-84.2	122.4	164.7	47	0	0	0	0	109.3	P7 S11	P7-T9 PolarHBondContact O-N 2.84Å; P7-T9 VanDerWaalsContact O-N 3.07Å; T9-S11 PolarHBondContact O-N 3.05Å
10	A	47.3	Very low	47.7	Very low	113 Å²	113	136.7 Å²	136.7	93%	0.934	75%	0.753	S	S	*	*			trans	-70.8	90.6	168.9	0	0	0	0	0	109
11	S	42.3	Very low	47.9	Very low	76 Å²	76	136.8 Å²	136.8	53%	0.531	75%	0.748	S	S	.	*			trans	-163.6	94	162.2	-175.6	0	0	0	0	109.5	T9 N13	T9-S11 PolarHBondContact O-N 3.05Å; S11-N13 PolarHBondContact O-N 2.91Å; S11-N13 PolarHBondContact OG-ND2 3.46Å; S11-N13 PolarHBondContact OG-OD1 2.9Å
12	T	48.2	Very low	49	Very low	150 Å²	150	132.7 Å²	132.7	92%	0.92	72%	0.724	S	S	*	*			trans	-74.6	74	165.6	31.6	0	0	0	0	109.2
13	N	46	Very low	49.8	Very low	113 Å²	113	128.9 Å²	128.9	60%	0.604	70%	0.7	S	S	*	*			trans	-76	124.3	163.7	-78.7	-22.1	0	0	0	108	S11 T15	S11-N13 PolarHBondContact O-N 2.91Å; S11-N13 PolarHBondContact OG-ND2 3.46Å; S11-N13 PolarHBondContact OG-OD1 2.9Å; N13-T15 PolarHBondContact O-N 3.13Å; N13-T15 PolarHBondContact O-OG1 3.22Å
14	G	52.4	Low	50.5	Low	50 Å²	50	125.4 Å²	125.4	52%	0.515	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.1	24.9	-172.8	0	0	0	0	0	116.6
15	T	50	Low	51	Low	96 Å²	96	117.3 Å²	117.3	59%	0.589	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-22.2	176.8	47.5	0	0	0	0	113.2	N13 F17 P19	N13-T15 PolarHBondContact O-N 3.13Å; N13-T15 PolarHBondContact O-OG1 3.22Å; T15-F17 PolarHBondContact O-N 3.1Å; T15-P19 WeakPolarHBondContact O-CD 3.43Å
16	D	49.5	Very low	51.7	Low	131 Å²	131	113.1 Å²	113.1	70%	0.701	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-11.4	177.5	-81.8	-11.6	0	0	0	114.1
17	F	49.8	Very low	52.6	Low	134 Å²	134	116.7 Å²	116.7	59%	0.588	62%	0.621	S	S	*	*	H	α-helix	trans	-76.3	-35.1	177.8	-68.5	-83.3	0	0	0	112.6	T15 R20 E21	T15-F17 PolarHBondContact O-N 3.1Å; F17-R20 PolarHBondContact O-N 2.98Å; F17-R20 VanDerWaalsContact O-N 3.15Å; F17-E21 WeakPolarHBondContact O-CB 3.46Å; F17-E21 WeakPolarHBondContact O-CG 3.46Å; F17-E21 PolarHBondContact O-N 3.38Å
18	K	49.7	Very low	54	Low	152 Å²	152	117.6 Å²	117.6	66%	0.661	61%	0.614	S	S	*	*	H	α-helix	trans	-63.3	-41.1	-175.1	-62.2	-176.8	179.2	-179.3	0	113.9
19	P	52.6	Low	55.4	Low	58 Å²	58	110.1 Å²	110.1	38%	0.377	59%	0.591	S	S	.	*	H	α-helix	trans	-69.9	-35.5	174	-19.6	33.2	0	0	0	112.6	T15 V23	T15-P19 WeakPolarHBondContact O-CD 3.43Å; P19-V23 WeakPolarHBondContact O-CG2 3.2Å; P19-V23 PolarHBondContact O-N 2.86Å
20	R	52.7	Low	57.3	Low	201 Å²	201	104.6 Å²	104.6	76%	0.758	56%	0.558	S	S	*	*	H	α-helix	trans	-73.5	-36.3	-177	-165.1	170.7	176.6	150.9	-2.9	112	F17 V23 A24	F17-R20 PolarHBondContact O-N 2.98Å; F17-R20 VanDerWaalsContact O-N 3.15Å; R20-V23 PolarHBondContact O-N 3.32Å; R20-A24 PolarHBondContact O-N 3.19Å
21	E	53.5	Low	59.2	Low	138 Å²	138	101.9 Å²	101.9	65%	0.645	54%	0.535	S	S	*	.	H	α-helix	trans	-65.5	-31.8	173.8	-82.3	-178.1	156	0	0	113.6	F17 P25	F17-E21 WeakPolarHBondContact O-CB 3.46Å; F17-E21 WeakPolarHBondContact O-CG 3.46Å; F17-E21 PolarHBondContact O-N 3.38Å; E21-P25 WeakPolarHBondContact O-CD 3.34Å; E21-P25 WeakPolarHBondContact O-CG 3.18Å
22	K	57.3	Low	61.5	Low	163 Å²	163	101.2 Å²	101.2	71%	0.709	53%	0.531	S	S	*	.	H	α-helix	trans	-80.8	-27.5	176.7	-71.9	-176.3	177.6	-175.2	0	113.4
23	V	58.6	Low	63.7	Low	53 Å²	53	94.7 Å²	94.7	32%	0.321	49%	0.49	S	S	.	.	H	α-helix	trans	-78.8	-40.9	-176	170.2	0	0	0	0	111.8	P19 R20 R26 Y27	P19-V23 WeakPolarHBondContact O-CG2 3.2Å; P19-V23 PolarHBondContact O-N 2.86Å; R20-V23 PolarHBondContact O-N 3.32Å; V23-R26 PolarHBondContact O-N 3.01Å; V23-Y27 HydrophobicContact CG1-CD2 3.55Å; V23-Y27 HydrophobicContact CG1-CE2 3.28Å; V23-Y27 WeakPolarHBondContact O-CD2 3.38Å; V23-Y27 PolarHBondContact O-N 3.37Å
24	A	60.9	Low	66	Low	52 Å²	52	91.2 Å²	91.2	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-57.9	-49.6	178.7	0	0	0	0	0	115.2	R20 R26 Y27 Q28	R20-A24 PolarHBondContact O-N 3.19Å; A24-R26 VanDerWaalsContact C-N 3.28Å; A24-R26 PolarHBondContact O-N 2.92Å; A24-Y27 PolarHBondContact O-N 3.47Å; A24-Q28 WeakPolarHBondContact O-CG 3.37Å; A24-Q28 PolarHBondContact O-N 3.46Å; A24-Q28 VanDerWaalsContact O-N 3.11Å
25	P	64.1	Low	68.1	Low	68 Å²	68	91.4 Å²	91.4	44%	0.442	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-29.2	179.2	24.1	-32.8	0	0	0	112.4	E21 Q28 M29	E21-P25 WeakPolarHBondContact O-CD 3.34Å; E21-P25 WeakPolarHBondContact O-CG 3.18Å; P25-Q28 PolarHBondContact O-N 3.25Å; P25-M29 WeakPolarHBondContact O-CB 3.41Å; P25-M29 PolarHBondContact O-N 2.84Å
26	R	64.3	Low	70.3	Confident	60 Å²	60	89.2 Å²	89.2	23%	0.226	45%	0.446	C	S	.	.	H	α-helix	trans	-70	-40.5	176.6	-160.9	-178.4	-141.3	143.9	20.9	112.4	V23 A24 Q28 M29 S30 S172 D175 E179	V23-R26 PolarHBondContact O-N 3.01Å; A24-R26 VanDerWaalsContact C-N 3.28Å; A24-R26 PolarHBondContact O-N 2.92Å; R26-Q28 VanDerWaalsContact C-N 3.34Å; R26-M29 PolarHBondContact O-N 3.2Å; R26-S30 WeakPolarHBondContact O-CB 3.22Å; R26-S30 PolarHBondContact O-N 3.48Å; R26-S172 PolarHBondContact NE-O 2.8Å; R26-D175 VanDerWaalsContact CZ-CB 3.46Å; R26-D175 IonicContact NH2-OD2 2.71Å; R26-D175 PolarHBondContact NH2-OD2 2.98Å; R26-E179 IonicContact CZ-OE1 3.54Å; R26-E179 IonicContact NH1-OE1 3.98Å; R26-E179 PolarHBondContact NH1-OE1 3.37Å; R26-E179 IonicContact NH1-OE2 3.81Å; R26-E179 PolarHBondContact NH1-OE2 3.42Å; R26-E179 IonicContact NH2-OE1 2.77Å
27	Y	66.4	Low	72.6	Confident	136 Å²	136	83 Å²	83	53%	0.533	41%	0.413	S	S	.	.	H	α-helix	trans	-64.7	-40.1	173.3	-81.2	-68.7	0	0	0	111.7	V23 A24 A31	V23-Y27 HydrophobicContact CG1-CD2 3.55Å; V23-Y27 HydrophobicContact CG1-CE2 3.28Å; V23-Y27 WeakPolarHBondContact O-CD2 3.38Å; V23-Y27 PolarHBondContact O-N 3.37Å; A24-Y27 PolarHBondContact O-N 3.47Å; Y27-A31 VanDerWaalsContact O-CB 3.29Å; Y27-A31 WeakPolarHBondContact O-CB 3.34Å; Y27-A31 PolarHBondContact O-N 3.34Å
28	Q	73.8	Confident	74.9	Confident	143 Å²	143	83.1 Å²	83.1	67%	0.668	41%	0.409	S	S	*	.	H	α-helix	trans	-63.9	-43.6	174.3	-72	178.6	-19.9	0	0	112	A24 P25 R26 A31 S32	A24-Q28 WeakPolarHBondContact O-CG 3.37Å; A24-Q28 PolarHBondContact O-N 3.46Å; A24-Q28 VanDerWaalsContact O-N 3.11Å; P25-Q28 PolarHBondContact O-N 3.25Å; R26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-A31 PolarHBondContact O-N 3.4Å; Q28-S32 WeakPolarHBondContact O-CB 3.4Å; Q28-S32 PolarHBondContact O-N 2.91Å
29	M	80.5	Confident	77.2	Confident	99 Å²	99	81.2 Å²	81.2	49%	0.488	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-45.5	176.5	-174.9	177.8	-179.3	0	0	112	P25 R26 A31 S32 L33	P25-M29 WeakPolarHBondContact O-CB 3.41Å; P25-M29 PolarHBondContact O-N 2.84Å; R26-M29 PolarHBondContact O-N 3.2Å; M29-A31 PolarHBondContact O-N 3.06Å; M29-S32 PolarHBondContact O-N 3.32Å; M29-L33 HydrophobicContact CE-CD1 4.26Å; M29-L33 HydrophobicContact CG-CD1 4.14Å; M29-L33 WeakPolarHBondContact O-CG 3.38Å; M29-L33 PolarHBondContact O-N 3.41Å
30	S	84.1	Confident	79.3	Confident	10 Å²	10	79.7 Å²	79.7	7%	0.07	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-40.6	176.7	-175.2	0	0	0	0	111.7	R26 L33 K34 L169 W173	R26-S30 WeakPolarHBondContact O-CB 3.22Å; R26-S30 PolarHBondContact O-N 3.48Å; S30-L33 PolarHBondContact O-N 3.23Å; S30-K34 WeakPolarHBondContact O-CB 3.17Å; S30-K34 VanDerWaalsContact O-CG 3.23Å; S30-K34 WeakPolarHBondContact O-CG 3.33Å; S30-K34 PolarHBondContact O-N 3.26Å; S30-L169 VanDerWaalsContact OG-CD1 3.3Å; S30-L169 WeakPolarHBondContact OG-CD1 3.45Å; S30-W173 PolarHBondContact OG-NE1 2.93Å
31	A	87.3	Confident	81.5	Confident	56 Å²	56	70.5 Å²	70.5	46%	0.463	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-44.6	176.3	0	0	0	0	0	112.2	Y27 Q28 M29 K34 S35	Y27-A31 VanDerWaalsContact O-CB 3.29Å; Y27-A31 WeakPolarHBondContact O-CB 3.34Å; Y27-A31 PolarHBondContact O-N 3.34Å; Q28-A31 PolarHBondContact O-N 3.4Å; M29-A31 PolarHBondContact O-N 3.06Å; A31-K34 PolarHBondContact O-N 2.87Å; A31-S35 PolarHBondContact O-N 3.41Å; A31-S35 PolarHBondContact O-OG 3.47Å
32	S	90.6	Very high	83.6	Confident	62 Å²	62	72.1 Å²	72.1	43%	0.434	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-47.3	175.6	170.7	0	0	0	0	111.9	Q28 M29 K34 S35 E36	Q28-S32 WeakPolarHBondContact O-CB 3.4Å; Q28-S32 PolarHBondContact O-N 2.91Å; M29-S32 PolarHBondContact O-N 3.32Å; S32-K34 VanDerWaalsContact C-N 3.34Å; S32-K34 PolarHBondContact O-N 3.26Å; S32-S35 PolarHBondContact O-N 3.46Å; S32-S35 VanDerWaalsContact O-N 3.14Å; S32-S35 PolarHBondContact O-OG 3.3Å; S32-E36 WeakPolarHBondContact O-CG 3.47Å; S32-E36 PolarHBondContact O-N 2.87Å
33	L	93.3	Very high	85.6	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-40.5	177.5	-70.8	170.9	0	0	0	112.2	M29 S30 S35 E36 V37 Y165 K168 L169	M29-L33 HydrophobicContact CE-CD1 4.26Å; M29-L33 HydrophobicContact CG-CD1 4.14Å; M29-L33 WeakPolarHBondContact O-CG 3.38Å; M29-L33 PolarHBondContact O-N 3.41Å; S30-L33 PolarHBondContact O-N 3.23Å; L33-S35 VanDerWaalsContact C-N 3.32Å; L33-S35 PolarHBondContact O-N 3.1Å; L33-E36 PolarHBondContact O-N 3.24Å; L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 3.45Å; L33-Y165 HydrophobicContact CD2-CD1 3.67Å; L33-Y165 HydrophobicContact CD2-CE1 4.41Å; L33-Y165 HydrophobicContact CD2-CG 4.43Å; L33-K168 HydrophobicContact CD1-CB 3.84Å; L33-K168 HydrophobicContact CD2-CB 4.21Å; L33-K168 HydrophobicContact CD2-CD 4.31Å; L33-L169 HydrophobicContact CB-CD1 4.08Å
34	K	95.1	Very high	87.5	Confident	40 Å²	40	64.8 Å²	64.8	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-39.8	174.2	-74.6	177.9	178.4	-163.5	0	112.3	S30 A31 S32 R38 L92 N95 L169 W173	S30-K34 WeakPolarHBondContact O-CB 3.17Å; S30-K34 VanDerWaalsContact O-CG 3.23Å; S30-K34 WeakPolarHBondContact O-CG 3.33Å; S30-K34 PolarHBondContact O-N 3.26Å; A31-K34 PolarHBondContact O-N 2.87Å; S32-K34 VanDerWaalsContact C-N 3.34Å; S32-K34 PolarHBondContact O-N 3.26Å; K34-R38 WeakPolarHBondContact O-CB 3.2Å; K34-R38 PolarHBondContact O-N 3.35Å; K34-L92 WeakPolarHBondContact CE-O 3.33Å; K34-L92 HydrophobicContact CG-CD2 4.14Å; K34-L92 PolarHBondContact NZ-O 3.18Å; K34-N95 WeakPolarHBondContact CE-OD1 3.42Å; K34-N95 PolarHBondContact NZ-OD1 3.34Å; K34-L169 HydrophobicContact CG-CD1 4.02Å; K34-L169 HydrophobicContact CG-CD2 4.06Å; K34-W173 HydrophobicContact CG-CZ2 4.35Å
35	S	95.6	Very high	89.3	Confident	54 Å²	54	64.6 Å²	64.6	38%	0.378	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-37.9	177.2	54.7	0	0	0	0	111.9	A31 S32 L33 R38 K39	A31-S35 PolarHBondContact O-N 3.41Å; A31-S35 PolarHBondContact O-OG 3.47Å; S32-S35 PolarHBondContact O-N 3.46Å; S32-S35 VanDerWaalsContact O-N 3.14Å; S32-S35 PolarHBondContact O-OG 3.3Å; L33-S35 VanDerWaalsContact C-N 3.32Å; L33-S35 PolarHBondContact O-N 3.1Å; S35-R38 PolarHBondContact O-N 3.45Å; S35-K39 WeakPolarHBondContact O-CG 3.29Å; S35-K39 PolarHBondContact O-N 3.47Å
36	E	97.1	Very high	90.9	Very high	51 Å²	51	66.3 Å²	66.3	24%	0.238	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-49.1	173.9	-64	-48	129.8	0	0	111.6	S32 L33 R38 K39 L40 Y165	S32-E36 WeakPolarHBondContact O-CG 3.47Å; S32-E36 PolarHBondContact O-N 2.87Å; L33-E36 PolarHBondContact O-N 3.24Å; E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 2.98Å; E36-K39 VanDerWaalsContact CD-CE 3.45Å; E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 VanDerWaalsContact OE1-CE 3.3Å; E36-K39 WeakPolarHBondContact OE1-CE 3.45Å; E36-K39 IonicContact OE1-NZ 2.93Å; E36-K39 PolarHBondContact OE1-NZ 3.36Å; E36-K39 WeakPolarHBondContact OE2-CE 3.47Å; E36-K39 IonicContact OE2-NZ 3.95Å; E36-K39 PolarHBondContact OE2-NZ 3.05Å; E36-L40 WeakPolarHBondContact O-CG 3.49Å; E36-L40 PolarHBondContact O-N 3.34Å; E36-Y165 HydrophobicContact CB-CD2 3.94Å; E36-Y165 HydrophobicContact CB-CE2 4.03Å; E36-Y165 HydrophobicContact CB-CG 4.28Å
37	V	97.2	Very high	92.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-41.5	176.3	174.9	0	0	0	0	110.9	L33 K39 L40 N41 S88 L92 M166	L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 3.45Å; V37-K39 PolarHBondContact O-N 3.44Å; V37-L40 PolarHBondContact O-N 3.4Å; V37-N41 WeakPolarHBondContact O-CB 3.48Å; V37-N41 PolarHBondContact O-N 2.89Å; V37-N41 PolarHBondContact O-OD1 3.36Å; V37-N41 VanDerWaalsContact O-OD1 3.1Å; V37-S88 WeakPolarHBondContact CG1-OG 3.46Å; V37-L92 HydrophobicContact CG1-CD1 4.35Å; V37-L92 HydrophobicContact CG1-CD2 4.19Å; V37-M166 HydrophobicContact CG1-CG 4.09Å; V37-M166 HydrophobicContact CG2-CG 4.02Å
38	R	97.5	Very high	94	Very high	136 Å²	136	59.8 Å²	59.8	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-41.9	178	-173	-179.7	-64	174.6	-1.1	112.4	K34 S35 E36 N41 W42 L92	K34-R38 WeakPolarHBondContact O-CB 3.2Å; K34-R38 PolarHBondContact O-N 3.35Å; S35-R38 PolarHBondContact O-N 3.45Å; E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 2.98Å; R38-N41 PolarHBondContact O-N 3.3Å; R38-W42 PolarHBondContact O-N 2.86Å; R38-W42 VanDerWaalsContact O-N 3.15Å; R38-L92 HydrophobicContact CB-CD1 4.24Å
39	K	97.9	Very high	95.2	Very high	113 Å²	113	57.2 Å²	57.2	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-46.2	175.3	-75	-177.9	-67.7	173.7	0	110.7	S35 E36 V37 N41 W42 V43	S35-K39 WeakPolarHBondContact O-CG 3.29Å; S35-K39 PolarHBondContact O-N 3.47Å; E36-K39 VanDerWaalsContact CD-CE 3.45Å; E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 VanDerWaalsContact OE1-CE 3.3Å; E36-K39 WeakPolarHBondContact OE1-CE 3.45Å; E36-K39 IonicContact OE1-NZ 2.93Å; E36-K39 PolarHBondContact OE1-NZ 3.36Å; E36-K39 WeakPolarHBondContact OE2-CE 3.47Å; E36-K39 IonicContact OE2-NZ 3.95Å; E36-K39 PolarHBondContact OE2-NZ 3.05Å; V37-K39 PolarHBondContact O-N 3.44Å; K39-N41 VanDerWaalsContact C-N 3.35Å; K39-N41 PolarHBondContact O-N 3.06Å; K39-W42 WeakPolarHBondContact O-CB 3.36Å; K39-W42 PolarHBondContact O-N 3.35Å; K39-V43 WeakPolarHBondContact O-CG2 3.27Å; K39-V43 PolarHBondContact O-N 3.37Å; K39-V43 VanDerWaalsContact O-N 3.12Å
40	L	98.1	Very high	95.9	Very high	26 Å²	26	57.5 Å²	57.5	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-37	177.9	-68.2	169.5	0	0	0	112.6	E36 V37 W42 V43 H44 V158 W161 Q162 Y165	E36-L40 WeakPolarHBondContact O-CG 3.49Å; E36-L40 PolarHBondContact O-N 3.34Å; V37-L40 PolarHBondContact O-N 3.4Å; L40-W42 VanDerWaalsContact C-N 3.3Å; L40-W42 PolarHBondContact O-N 3.02Å; L40-V43 PolarHBondContact O-N 3.46Å; L40-H44 WeakPolarHBondContact O-CB 3.43Å; L40-H44 PolarHBondContact O-N 3.32Å; L40-V158 HydrophobicContact CD2-CG1 4.32Å; L40-W161 HydrophobicContact CD1-CB 3.72Å; L40-W161 HydrophobicContact CD2-CB 4.37Å; L40-Q162 HydrophobicContact CB-CB 4.43Å; L40-Q162 HydrophobicContact CB-CG 4.41Å; L40-Q162 HydrophobicContact CD1-CB 4.26Å; L40-Y165 HydrophobicContact CD1-CD2 3.61Å; L40-Y165 HydrophobicContact CD1-CE2 3.93Å
41	N	98.1	Very high	96.5	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-39.8	173.3	-74.1	9.1	0	0	0	111.6	V37 R38 K39 H44 L45 L85 S88 S89 Q162	V37-N41 WeakPolarHBondContact O-CB 3.48Å; V37-N41 PolarHBondContact O-N 2.89Å; V37-N41 PolarHBondContact O-OD1 3.36Å; V37-N41 VanDerWaalsContact O-OD1 3.1Å; R38-N41 PolarHBondContact O-N 3.3Å; K39-N41 VanDerWaalsContact C-N 3.35Å; K39-N41 PolarHBondContact O-N 3.06Å; N41-H44 PolarHBondContact O-N 2.82Å; N41-L45 WeakPolarHBondContact O-CB 3.18Å; N41-L45 PolarHBondContact O-N 3.03Å; N41-L85 HydrophobicContact CB-CD1 3.49Å; N41-L85 VanDerWaalsContact CB-CD1 3.49Å; N41-L85 VanDerWaalsContact O-CD1 3.3Å; N41-L85 WeakPolarHBondContact O-CD1 3.28Å; N41-S88 PolarHBondContact ND2-OG 3.34Å; N41-S88 PolarHBondContact OD1-OG 3.1Å; N41-S89 PolarHBondContact ND2-OG 3.24Å; N41-Q162 PolarHBondContact OD1-NE2 3.46Å
42	W	98.3	Very high	97	Very high	172 Å²	172	54.9 Å²	54.9	65%	0.652	27%	0.268	S	S	*	.	H	α-helix	trans	-66.2	-41.5	175.2	-80.1	115.5	0	0	0	112.7	R38 K39 L40 L45 L46	R38-W42 PolarHBondContact O-N 2.86Å; R38-W42 VanDerWaalsContact O-N 3.15Å; K39-W42 WeakPolarHBondContact O-CB 3.36Å; K39-W42 PolarHBondContact O-N 3.35Å; L40-W42 VanDerWaalsContact C-N 3.3Å; L40-W42 PolarHBondContact O-N 3.02Å; W42-L45 HydrophobicContact CE3-CD2 3.87Å; W42-L45 HydrophobicContact CZ3-CD2 3.69Å; W42-L45 PolarHBondContact O-N 3.43Å; W42-L46 PolarHBondContact O-N 3.02Å
43	V	98.3	Very high	97.2	Very high	62 Å²	62	54.2 Å²	54.2	38%	0.376	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-43.3	176.1	179.7	0	0	0	0	110.7	K39 L40 L46 I47 V158	K39-V43 WeakPolarHBondContact O-CG2 3.27Å; K39-V43 PolarHBondContact O-N 3.37Å; K39-V43 VanDerWaalsContact O-N 3.12Å; L40-V43 PolarHBondContact O-N 3.46Å; V43-L46 WeakPolarHBondContact O-CB 3.24Å; V43-L46 PolarHBondContact O-N 2.84Å; V43-I47 HydrophobicContact CG1-CD1 4.13Å; V43-I47 WeakPolarHBondContact O-CG1 3.17Å; V43-I47 PolarHBondContact O-N 2.89Å; V43-V158 HydrophobicContact CB-CG2 4.41Å; V43-V158 HydrophobicContact CG1-CG2 3.64Å
44	H	98.4	Very high	97.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-45.1	173.8	176.7	-163.4	0	0	0	111.2	L40 N41 L46 I47 W48 S81 L85 V158 H159	L40-H44 WeakPolarHBondContact O-CB 3.43Å; L40-H44 PolarHBondContact O-N 3.32Å; N41-H44 PolarHBondContact O-N 2.82Å; H44-L46 VanDerWaalsContact C-N 3.29Å; H44-L46 PolarHBondContact O-N 2.71Å; H44-I47 PolarHBondContact O-N 3.36Å; H44-W48 WeakPolarHBondContact O-CB 3.47Å; H44-W48 PolarHBondContact O-N 3.34Å; H44-S81 PolarHBondContact CE1-O 2.95Å; H44-S81 WeakPolarHBondContact NE2-CB 3.44Å; H44-S81 PolarHBondContact NE2-OG 2.98Å; H44-L85 HydrophobicContact CB-CD1 4.45Å; H44-V158 HydrophobicContact CB-CG1 4.1Å; H44-H159 AromaticContact CD2-CE1 3.58Å; H44-H159 AromaticContact CE1-CE1 3.54Å; H44-H159 AromaticContact CG-CE1 3.68Å; H44-H159 AromaticContact ND1-CE1 3.66Å; H44-H159 AromaticContact NE2-CE1 3.51Å
45	L	98.5	Very high	97.3	Very high	48 Å²	48	53.6 Å²	53.6	25%	0.251	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-42.2	176	-176.6	60.9	0	0	0	111.6	N41 W42 W48 L49 L85	N41-L45 WeakPolarHBondContact O-CB 3.18Å; N41-L45 PolarHBondContact O-N 3.03Å; W42-L45 HydrophobicContact CE3-CD2 3.87Å; W42-L45 HydrophobicContact CZ3-CD2 3.69Å; W42-L45 PolarHBondContact O-N 3.43Å; L45-W48 PolarHBondContact O-N 2.77Å; L45-L49 HydrophobicContact CD1-CD1 4.46Å; L45-L49 HydrophobicContact CD1-CG 4.34Å; L45-L49 HydrophobicContact CG-CD1 4.13Å; L45-L49 HydrophobicContact CG-CG 4.45Å; L45-L49 WeakPolarHBondContact O-CB 3.11Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.34Å; L45-L85 HydrophobicContact CB-CD2 3.86Å; L45-L85 HydrophobicContact CD1-CD2 3.82Å; L45-L85 HydrophobicContact CG-CD2 4.41Å
46	L	98.3	Very high	97.3	Very high	104 Å²	104	55.1 Å²	55.1	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-47.9	176.8	179.5	62.8	0	0	0	111.6	W42 V43 H44 W48 L49 L50	W42-L46 PolarHBondContact O-N 3.02Å; V43-L46 WeakPolarHBondContact O-CB 3.24Å; V43-L46 PolarHBondContact O-N 2.84Å; H44-L46 VanDerWaalsContact C-N 3.29Å; H44-L46 PolarHBondContact O-N 2.71Å; L46-W48 VanDerWaalsContact C-N 3.3Å; L46-W48 PolarHBondContact O-N 3.15Å; L46-L49 PolarHBondContact O-N 3.07Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.45Å
47	I	97.8	Very high	97.2	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.072	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-45.1	176.5	-65.4	166.7	0	0	0	110.2	V43 H44 L49 L50 V51 Y78 I151 V154 A155 V158	V43-I47 HydrophobicContact CG1-CD1 4.13Å; V43-I47 WeakPolarHBondContact O-CG1 3.17Å; V43-I47 PolarHBondContact O-N 2.89Å; H44-I47 PolarHBondContact O-N 3.36Å; I47-L49 PolarHBondContact O-N 3.41Å; I47-L50 PolarHBondContact O-N 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.42Å; I47-V51 PolarHBondContact O-N 3.23Å; I47-Y78 HydrophobicContact CG2-CE1 4.26Å; I47-I151 HydrophobicContact CG2-CG2 4.18Å; I47-V154 HydrophobicContact CD1-CG1 4.1Å; I47-A155 HydrophobicContact CD1-CB 4.37Å; I47-A155 HydrophobicContact CG2-CB 4.4Å; I47-V158 HydrophobicContact CD1-CG2 4.15Å
48	W	98.3	Very high	96.9	Very high	46 Å²	46	54.9 Å²	54.9	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-44.4	178.7	-175.4	91.8	0	0	0	111.8	H44 L45 L46 L50 V51 A52 L79 L82	H44-W48 WeakPolarHBondContact O-CB 3.47Å; H44-W48 PolarHBondContact O-N 3.34Å; L45-W48 PolarHBondContact O-N 2.77Å; L46-W48 VanDerWaalsContact C-N 3.3Å; L46-W48 PolarHBondContact O-N 3.15Å; W48-L50 VanDerWaalsContact C-N 3.31Å; W48-L50 PolarHBondContact O-N 2.93Å; W48-V51 PolarHBondContact O-N 3.01Å; W48-A52 HydrophobicContact CD2-CB 4.46Å; W48-A52 HydrophobicContact CE3-CB 4.16Å; W48-A52 HydrophobicContact CH2-CB 4.06Å; W48-A52 HydrophobicContact CZ2-CB 4.37Å; W48-A52 HydrophobicContact CZ3-CB 3.95Å; W48-A52 VanDerWaalsContact O-CB 3.24Å; W48-A52 WeakPolarHBondContact O-CB 3.09Å; W48-A52 PolarHBondContact O-N 3Å; W48-L79 HydrophobicContact CZ2-CD2 4.46Å; W48-L79 PolarHBondContact NE1-O 3.38Å; W48-L82 HydrophobicContact CD2-CD1 4.49Å; W48-L82 HydrophobicContact CH2-CD2 4.1Å; W48-L82 HydrophobicContact CZ2-CB 4.17Å; W48-L82 HydrophobicContact CZ2-CD2 3.83Å; W48-L82 HydrophobicContact CZ2-CG 4.42Å
49	L	98.2	Very high	96.6	Very high	89 Å²	89	55 Å²	55	47%	0.466	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-37.6	177	-75.4	170.3	0	0	0	112	L45 L46 I47 A53	L45-L49 HydrophobicContact CD1-CD1 4.46Å; L45-L49 HydrophobicContact CD1-CG 4.34Å; L45-L49 HydrophobicContact CG-CD1 4.13Å; L45-L49 HydrophobicContact CG-CG 4.45Å; L45-L49 WeakPolarHBondContact O-CB 3.11Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 3.07Å; I47-L49 PolarHBondContact O-N 3.41Å; L49-A53 WeakPolarHBondContact O-CB 3.33Å; L49-A53 PolarHBondContact O-N 2.93Å
50	L	96.1	Very high	96.5	Very high	104 Å²	104	56.4 Å²	56.4	55%	0.545	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-46.5	176.4	-68.3	172.6	0	0	0	111.7	L46 I47 W48 A53 Q54	L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.45Å; I47-L50 PolarHBondContact O-N 3.27Å; W48-L50 VanDerWaalsContact C-N 3.31Å; W48-L50 PolarHBondContact O-N 2.93Å; L50-A53 PolarHBondContact O-N 3.37Å; L50-Q54 PolarHBondContact O-N 2.87Å
51	V	96.6	Very high	96.1	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-44.7	176.5	176.9	0	0	0	0	110.7	I47 W48 A53 Q54 V55 E75 Y78 L79	I47-V51 WeakPolarHBondContact O-CG2 3.42Å; I47-V51 PolarHBondContact O-N 3.23Å; W48-V51 PolarHBondContact O-N 3.01Å; V51-A53 PolarHBondContact O-N 3.3Å; V51-Q54 PolarHBondContact O-N 3.2Å; V51-V55 HydrophobicContact CG1-CG2 4.47Å; V51-V55 WeakPolarHBondContact O-CG2 3.27Å; V51-V55 PolarHBondContact O-N 3.43Å; V51-E75 HydrophobicContact CG1-CB 3.88Å; V51-E75 HydrophobicContact CG1-CG 4.17Å; V51-Y78 HydrophobicContact CG1-CD1 4.39Å; V51-Y78 HydrophobicContact CG2-CD1 4.39Å; V51-Y78 HydrophobicContact CG2-CE1 4.36Å; V51-L79 HydrophobicContact CG1-CD2 4.09Å
52	A	97.4	Very high	95.9	Very high	9 Å²	9	65.3 Å²	65.3	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-43.9	177	0	0	0	0	0	111.7	W48 Q54 V55 I56 L79	W48-A52 HydrophobicContact CD2-CB 4.46Å; W48-A52 HydrophobicContact CE3-CB 4.16Å; W48-A52 HydrophobicContact CH2-CB 4.06Å; W48-A52 HydrophobicContact CZ2-CB 4.37Å; W48-A52 HydrophobicContact CZ3-CB 3.95Å; W48-A52 VanDerWaalsContact O-CB 3.24Å; W48-A52 WeakPolarHBondContact O-CB 3.09Å; W48-A52 PolarHBondContact O-N 3Å; A52-Q54 VanDerWaalsContact C-N 3.34Å; A52-Q54 PolarHBondContact O-N 3Å; A52-V55 PolarHBondContact O-N 3.3Å; A52-I56 WeakPolarHBondContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CD1 3.43Å; A52-I56 WeakPolarHBondContact O-CG1 3.41Å; A52-I56 PolarHBondContact O-N 3.33Å; A52-L79 HydrophobicContact CB-CD2 3.91Å
53	A	95.6	Very high	95.6	Very high	48 Å²	48	60 Å²	60	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-43.8	176.2	0	0	0	0	0	111.4	L49 L50 V51 I56 V57	L49-A53 WeakPolarHBondContact O-CB 3.33Å; L49-A53 PolarHBondContact O-N 2.93Å; L50-A53 PolarHBondContact O-N 3.37Å; V51-A53 PolarHBondContact O-N 3.3Å; A53-I56 PolarHBondContact O-N 3.01Å; A53-V57 WeakPolarHBondContact O-CB 3.3Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.49Å
54	Q	94.5	Very high	95.2	Very high	23 Å²	23	60 Å²	60	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-46.7	175.9	-178.6	-176.8	-40.2	0	0	112.4	L50 V51 A52 I56 V57 S58 V68 E75	L50-Q54 PolarHBondContact O-N 2.87Å; V51-Q54 PolarHBondContact O-N 3.2Å; A52-Q54 VanDerWaalsContact C-N 3.34Å; A52-Q54 PolarHBondContact O-N 3Å; Q54-I56 VanDerWaalsContact C-N 3.33Å; Q54-I56 PolarHBondContact O-N 3.38Å; Q54-V57 PolarHBondContact O-N 3.15Å; Q54-S58 PolarHBondContact O-N 3.23Å; Q54-V68 HydrophobicContact CG-CG1 3.82Å; Q54-E75 PolarHBondContact NE2-OE1 2.82Å; Q54-E75 PolarHBondContact NE2-OE2 3.28Å
55	V	95.4	Very high	94.7	Very high	17 Å²	17	63.7 Å²	63.7	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-44.4	178.1	173	0	0	0	0	110.7	V51 A52 H59 P71 E75 Y76 L79	V51-V55 HydrophobicContact CG1-CG2 4.47Å; V51-V55 WeakPolarHBondContact O-CG2 3.27Å; V51-V55 PolarHBondContact O-N 3.43Å; A52-V55 PolarHBondContact O-N 3.3Å; V55-H59 WeakPolarHBondContact O-CB 3.49Å; V55-H59 PolarHBondContact O-N 3.47Å; V55-P71 HydrophobicContact CB-CG 4.23Å; V55-P71 HydrophobicContact CG2-CB 3.99Å; V55-P71 HydrophobicContact CG2-CG 3.73Å; V55-E75 HydrophobicContact CG2-CB 4.38Å; V55-Y76 HydrophobicContact CG1-CD1 4.35Å; V55-Y76 HydrophobicContact CG1-CE1 4.03Å; V55-L79 HydrophobicContact CB-CD1 4.49Å; V55-L79 HydrophobicContact CG1-CD1 4.26Å; V55-L79 HydrophobicContact CG2-CD1 4.37Å
56	I	95.5	Very high	94.2	Very high	87 Å²	87	67.9 Å²	67.9	45%	0.446	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-48.5	177.2	-69.6	166.1	0	0	0	110.5	A52 A53 Q54 S58 H59 F60 L62	A52-I56 WeakPolarHBondContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CD1 3.43Å; A52-I56 WeakPolarHBondContact O-CG1 3.41Å; A52-I56 PolarHBondContact O-N 3.33Å; A53-I56 PolarHBondContact O-N 3.01Å; Q54-I56 VanDerWaalsContact C-N 3.33Å; Q54-I56 PolarHBondContact O-N 3.38Å; I56-S58 VanDerWaalsContact C-N 3.32Å; I56-S58 PolarHBondContact O-N 3.12Å; I56-H59 PolarHBondContact O-N 3.49Å; I56-F60 HydrophobicContact CG2-CD2 3.81Å; I56-F60 HydrophobicContact CG2-CE2 4.13Å; I56-F60 WeakPolarHBondContact O-CD2 3.31Å; I56-F60 PolarHBondContact O-N 3.19Å; I56-L62 HydrophobicContact CG2-CD1 4.14Å
57	V	94.8	Very high	93.8	Very high	35 Å²	35	65.2 Å²	65.2	21%	0.212	35%	0.347	C	S	.	.	H	α-helix	trans	-57.3	-45.4	-179.8	166.1	0	0	0	0	111.6	A53 Q54 D61 L62 V63 V68	A53-V57 WeakPolarHBondContact O-CB 3.3Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.49Å; Q54-V57 PolarHBondContact O-N 3.15Å; V57-D61 PolarHBondContact O-N 3.24Å; V57-L62 HydrophobicContact CB-CB 4.47Å; V57-L62 HydrophobicContact CG1-CB 4.2Å; V57-L62 HydrophobicContact CG2-CB 4.45Å; V57-L62 HydrophobicContact CG2-CD1 4.3Å; V57-L62 PolarHBondContact O-N 2.83Å; V57-V63 HydrophobicContact CG1-CB 3.96Å; V57-V63 HydrophobicContact CG1-CG2 3.78Å; V57-V68 HydrophobicContact CG1-CB 4.25Å; V57-V68 HydrophobicContact CG1-CG1 4.28Å; V57-V68 HydrophobicContact CG1-CG2 4.25Å
58	S	91.5	Very high	93.5	Very high	10 Å²	10	65 Å²	65	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-73.2	-37.7	178.5	176.3	0	0	0	0	112.7	Q54 I56 F60 D61 H65 P71	Q54-S58 PolarHBondContact O-N 3.23Å; I56-S58 VanDerWaalsContact C-N 3.32Å; I56-S58 PolarHBondContact O-N 3.12Å; S58-F60 PolarHBondContact O-N 3Å; S58-D61 PolarHBondContact O-N 2.84Å; S58-H65 PolarHBondContact OG-NE2 3.41Å; S58-P71 WeakPolarHBondContact OG-CD 3.33Å
59	H	91.9	Very high	93.2	Very high	139 Å²	139	63 Å²	63	64%	0.644	34%	0.34	S	S	*	.	H	α-helix	trans	-70.5	-31.8	-177	-168.4	70.1	0	0	0	113.5	V55 I56	V55-H59 WeakPolarHBondContact O-CB 3.49Å; V55-H59 PolarHBondContact O-N 3.47Å; I56-H59 PolarHBondContact O-N 3.49Å
60	F	94.1	Very high	93	Very high	142 Å²	142	61.9 Å²	61.9	62%	0.623	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	8.9	177.5	-68.6	-75.8	0	0	0	113.4	I56 S58 L62	I56-F60 HydrophobicContact CG2-CD2 3.81Å; I56-F60 HydrophobicContact CG2-CE2 4.13Å; I56-F60 WeakPolarHBondContact O-CD2 3.31Å; I56-F60 PolarHBondContact O-N 3.19Å; S58-F60 PolarHBondContact O-N 3Å; F60-L62 HydrophobicContact CB-CD1 3.78Å; F60-L62 HydrophobicContact CB-CG 4.04Å; F60-L62 PolarHBondContact O-N 2.98Å; F60-L62 VanDerWaalsContact O-N 3.1Å
61	D	91.5	Very high	92.9	Very high	110 Å²	110	57.1 Å²	57.1	59%	0.588	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.5	-177.9	-66.2	-57	0	0	0	113.2	V57 S58 V63 H65	V57-D61 PolarHBondContact O-N 3.24Å; S58-D61 PolarHBondContact O-N 2.84Å; D61-V63 PolarHBondContact O-N 2.93Å; D61-H65 IonicContact OD1-CE1 3.05Å; D61-H65 PolarHBondContact OD1-CE1 3.24Å; D61-H65 IonicContact OD1-ND1 2.77Å; D61-H65 IonicContact OD1-NE2 3.05Å
62	L	92.4	Very high	92.9	Very high	111 Å²	111	57.1 Å²	57.1	58%	0.581	31%	0.312	S	S	*	.			trans	-63.8	-26.5	-176.8	-80.8	142.9	0	0	0	112	I56 V57 F60	I56-L62 HydrophobicContact CG2-CD1 4.14Å; V57-L62 HydrophobicContact CB-CB 4.47Å; V57-L62 HydrophobicContact CG1-CB 4.2Å; V57-L62 HydrophobicContact CG2-CB 4.45Å; V57-L62 HydrophobicContact CG2-CD1 4.3Å; V57-L62 PolarHBondContact O-N 2.83Å; F60-L62 HydrophobicContact CB-CD1 3.78Å; F60-L62 HydrophobicContact CB-CG 4.04Å; F60-L62 PolarHBondContact O-N 2.98Å; F60-L62 VanDerWaalsContact O-N 3.1Å
63	V	92	Very high	92.8	Very high	61 Å²	61	62 Å²	62	37%	0.37	33%	0.333	S	S	.	.	S	Bend	trans	-139.7	154.2	177	-169.8	0	0	0	0	108.3	V57 D61 T67	V57-V63 HydrophobicContact CG1-CB 3.96Å; V57-V63 HydrophobicContact CG1-CG2 3.78Å; D61-V63 PolarHBondContact O-N 2.93Å; V63-T67 HydrophobicContact CG1-CG2 3.78Å
64	S	90.2	Very high	92.9	Very high	62 Å²	62	59.8 Å²	59.8	43%	0.434	31%	0.314	S	S	.	.			trans	-56.7	143.5	175.8	71.2	0	0	0	0	112.3	D66 T67 V68	S64-D66 PolarHBondContact O-N 3.17Å; S64-D66 VanDerWaalsContact O-N 3.13Å; S64-T67 WeakPolarHBondContact O-CB 3.4Å; S64-T67 PolarHBondContact O-N 2.85Å; S64-T67 PolarHBondContact OG-N 2.82Å; S64-T67 PolarHBondContact OG-OG1 2.81Å; S64-V68 PolarHBondContact O-N 3.48Å
65	H	88.6	Confident	93	Very high	76 Å²	76	58.7 Å²	58.7	35%	0.352	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.7	176.3	-77.8	105.7	0	0	0	114.1	S58 D61 V68 S69 V70	S58-H65 PolarHBondContact OG-NE2 3.41Å; D61-H65 IonicContact OD1-CE1 3.05Å; D61-H65 PolarHBondContact OD1-CE1 3.24Å; D61-H65 IonicContact OD1-ND1 2.77Å; D61-H65 IonicContact OD1-NE2 3.05Å; H65-V68 WeakPolarHBondContact CA-O 3.37Å; H65-V68 CarbonylContact O-C 3.6Å; H65-S69 WeakPolarHBondContact O-CA 3.32Å; H65-S69 PolarHBondContact O-N 2.82Å; H65-V70 VanDerWaalsContact CD2-CG1 3.41Å; H65-V70 WeakPolarHBondContact CD2-CG1 3.49Å; H65-V70 WeakPolarHBondContact NE2-CG1 3.22Å
66	D	87.6	Confident	93.1	Very high	136 Å²	136	62.5 Å²	62.5	73%	0.727	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-29.5	170.8	-61.9	-33.6	0	0	0	112.1	S64	S64-D66 PolarHBondContact O-N 3.17Å; S64-D66 VanDerWaalsContact O-N 3.13Å
67	T	89.8	Confident	93.2	Very high	49 Å²	49	60.9 Å²	60.9	30%	0.301	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-44.9	177.9	-49.7	0	0	0	0	111	V63 S64 I139 F140	V63-T67 HydrophobicContact CG1-CG2 3.78Å; S64-T67 WeakPolarHBondContact O-CB 3.4Å; S64-T67 PolarHBondContact O-N 2.85Å; S64-T67 PolarHBondContact OG-N 2.82Å; S64-T67 PolarHBondContact OG-OG1 2.81Å; T67-I139 CarbonylContact O-C 3.51Å; T67-I139 WeakPolarHBondContact O-CA 3.32Å; T67-F140 HydrophobicContact CG2-CD1 3.97Å; T67-F140 HydrophobicContact CG2-CE1 4.13Å; T67-F140 PolarHBondContact O-N 3.08Å
68	V	91.9	Very high	93.4	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.055	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-129.7	101.6	177.4	-178.9	0	0	0	0	108.3	Q54 V57 S64 H65 F140	Q54-V68 HydrophobicContact CG-CG1 3.82Å; V57-V68 HydrophobicContact CG1-CB 4.25Å; V57-V68 HydrophobicContact CG1-CG1 4.28Å; V57-V68 HydrophobicContact CG1-CG2 4.25Å; S64-V68 PolarHBondContact O-N 3.48Å; H65-V68 WeakPolarHBondContact CA-O 3.37Å; H65-V68 CarbonylContact O-C 3.6Å; V68-F140 HydrophobicContact CG2-CE1 4.48Å; V68-F140 HydrophobicContact CG2-CZ 4.25Å
69	S	91.8	Very high	93.7	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.035	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-64	156.8	179.4	65.6	0	0	0	0	112.7	H65 F138	H65-S69 WeakPolarHBondContact O-CA 3.32Å; H65-S69 PolarHBondContact O-N 2.82Å; S69-F138 WeakPolarHBondContact CB-O 3.13Å; S69-F138 PolarHBondContact N-O 2.95Å; S69-F138 PolarHBondContact OG-O 3.03Å
70	V	93	Very high	94	Very high	64 Å²	64	58 Å²	58	39%	0.388	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-51.5	134.9	172.3	-65.3	0	0	0	0	111.9	H65 R137	H65-V70 VanDerWaalsContact CD2-CG1 3.41Å; H65-V70 WeakPolarHBondContact CD2-CG1 3.49Å; H65-V70 WeakPolarHBondContact NE2-CG1 3.22Å; V70-R137 PolarHBondContact O-NH1 2.93Å
71	P	95.1	Very high	94.2	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.026	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-54.8	147.8	176.8	-25.6	31.9	0	0	0	112.8	V55 S58 E75 Y76	V55-P71 HydrophobicContact CB-CG 4.23Å; V55-P71 HydrophobicContact CG2-CB 3.99Å; V55-P71 HydrophobicContact CG2-CG 3.73Å; S58-P71 WeakPolarHBondContact OG-CD 3.33Å; P71-E75 WeakPolarHBondContact CA-OE1 3.3Å; P71-E75 HydrophobicContact CB-CB 4.19Å; P71-E75 HydrophobicContact CB-CG 4.49Å; P71-Y76 HydrophobicContact CB-CE2 4.12Å
72	Y	95.8	Very high	94.5	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.012	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-69.5	157.3	167.3	-68.4	-82.4	0	0	0	111.1	W74 E75 M122 R137 A144 V145 M148	Y72-W74 PolarHBondContact O-N 3.33Å; Y72-E75 WeakPolarHBondContact CD2-OE1 3.36Å; Y72-E75 PolarHBondContact N-OE1 3.46Å; Y72-E75 WeakPolarHBondContact O-CB 3.38Å; Y72-E75 PolarHBondContact O-N 3.37Å; Y72-E75 VanDerWaalsContact O-N 3.12Å; Y72-M122 HydrophobicContact CD1-CG 3.76Å; Y72-M122 HydrophobicContact CD1-SD 4.34Å; Y72-M122 HydrophobicContact CD2-CG 4.35Å; Y72-M122 HydrophobicContact CD2-SD 3.85Å; Y72-M122 HydrophobicContact CE1-CG 3.83Å; Y72-M122 HydrophobicContact CE1-SD 4.38Å; Y72-M122 HydrophobicContact CE2-CG 4.42Å; Y72-M122 HydrophobicContact CE2-SD 3.89Å; Y72-M122 HydrophobicContact CG-CG 4.03Å; Y72-M122 HydrophobicContact CG-SD 4.08Å; Y72-R137 VanDerWaalsContact CD1-NH1 3.33Å; Y72-A144 HydrophobicContact CE2-CB 4.3Å; Y72-V145 PolarHBondContact OH-N 3Å; Y72-M148 HydrophobicContact CD2-CG 3.98Å; Y72-M148 HydrophobicContact CE2-CB 4.34Å; Y72-M148 HydrophobicContact CE2-CG 3.85Å
73	Q	96.8	Very high	94.8	Very high	112 Å²	112	46.7 Å²	46.7	52%	0.523	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.4	-175.7	-65.5	-62.8	-45	0	0	112.1	E75 P77 Y117 E121	Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 PolarHBondContact O-N 3.14Å; Q73-P77 WeakPolarHBondContact O-CD 3.41Å; Q73-Y117 HydrophobicContact CB-CE1 3.98Å; Q73-E121 WeakPolarHBondContact CB-OE1 3.49Å; Q73-E121 WeakPolarHBondContact CG-OE1 3.3Å; Q73-E121 PolarHBondContact N-OE1 3.24Å; Q73-E121 PolarHBondContact N-OE2 2.96Å
74	W	97.3	Very high	95	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.7	176.9	75.2	-94.9	0	0	0	114.7	Y72 Y76 P77 Y78 P114 L115 Y117 E121 M148 M152	Y72-W74 PolarHBondContact O-N 3.33Å; W74-Y76 VanDerWaalsContact C-N 3.34Å; W74-Y76 PolarHBondContact O-N 3.38Å; W74-P77 WeakPolarHBondContact O-CD 3.42Å; W74-P77 WeakPolarHBondContact O-CG 3.47Å; W74-Y78 HydrophobicContact CE3-CG 4.28Å; W74-Y78 HydrophobicContact CZ3-CD1 4.15Å; W74-Y78 HydrophobicContact CZ3-CD2 4.27Å; W74-Y78 AromaticContact CZ3-CG 3.9Å; W74-Y78 HydrophobicContact CZ3-CG 3.9Å; W74-Y78 VanDerWaalsContact O-CB 3.28Å; W74-Y78 WeakPolarHBondContact O-CB 3.43Å; W74-Y78 PolarHBondContact O-N 2.83Å; W74-P114 WeakPolarHBondContact CB-O 3.29Å; W74-L115 HydrophobicContact CE3-CD2 4.02Å; W74-L115 HydrophobicContact CH2-CD2 4.21Å; W74-L115 HydrophobicContact CZ3-CD2 3.56Å; W74-Y117 HydrophobicContact CB-CD1 3.74Å; W74-Y117 HydrophobicContact CB-CE1 4.21Å; W74-E121 PolarHBondContact N-OE2 3.42Å; W74-M148 HydrophobicContact CZ2-SD 3.89Å; W74-M152 HydrophobicContact CD2-CE 3.84Å; W74-M152 HydrophobicContact CE3-CE 4.21Å; W74-M152 HydrophobicContact CG-CE 4.33Å; W74-M152 HydrophobicContact CH2-CE 4.27Å; W74-M152 HydrophobicContact CZ2-CE 3.88Å; W74-M152 HydrophobicContact CZ3-CE 4.42Å
75	E	97	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-37.5	-176.6	-66.2	178.8	-125.6	0	0	111.1	V51 Q54 V55 P71 Y72 Q73 Y78 L79	V51-E75 HydrophobicContact CG1-CB 3.88Å; V51-E75 HydrophobicContact CG1-CG 4.17Å; Q54-E75 PolarHBondContact NE2-OE1 2.82Å; Q54-E75 PolarHBondContact NE2-OE2 3.28Å; V55-E75 HydrophobicContact CG2-CB 4.38Å; P71-E75 WeakPolarHBondContact CA-OE1 3.3Å; P71-E75 HydrophobicContact CB-CB 4.19Å; P71-E75 HydrophobicContact CB-CG 4.49Å; Y72-E75 WeakPolarHBondContact CD2-OE1 3.36Å; Y72-E75 PolarHBondContact N-OE1 3.46Å; Y72-E75 WeakPolarHBondContact O-CB 3.38Å; Y72-E75 PolarHBondContact O-N 3.37Å; Y72-E75 VanDerWaalsContact O-N 3.12Å; Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 PolarHBondContact O-N 3.14Å; E75-Y78 WeakPolarHBondContact O-CB 3.42Å; E75-Y78 PolarHBondContact O-N 3.13Å; E75-L79 PolarHBondContact O-N 3.26Å; E75-L79 VanDerWaalsContact O-N 3.13Å
76	Y	96.9	Very high	95.9	Very high	97 Å²	97	42.1 Å²	42.1	38%	0.38	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-56.7	-180	-57.4	-83.1	0	0	0	113.9	V55 P71 W74 Y78 L79	V55-Y76 HydrophobicContact CG1-CD1 4.35Å; V55-Y76 HydrophobicContact CG1-CE1 4.03Å; P71-Y76 HydrophobicContact CB-CE2 4.12Å; W74-Y76 VanDerWaalsContact C-N 3.34Å; W74-Y76 PolarHBondContact O-N 3.38Å; Y76-Y78 PolarHBondContact O-N 3.25Å; Y76-L79 WeakPolarHBondContact O-CB 3.37Å; Y76-L79 PolarHBondContact O-N 2.7Å; Y76-L79 VanDerWaalsContact O-N 3.14Å
77	P	97.6	Very high	96.3	Very high	52 Å²	52	36.6 Å²	36.6	34%	0.338	19%	0.192	S	C	.	.	H	α-helix	trans	-66.2	-25.4	175	27.6	-33.8	0	0	0	112	Q73 W74 L79 L80 P114	Q73-P77 WeakPolarHBondContact O-CD 3.41Å; W74-P77 WeakPolarHBondContact O-CD 3.42Å; W74-P77 WeakPolarHBondContact O-CG 3.47Å; P77-L79 PolarHBondContact O-N 3.43Å; P77-L80 VanDerWaalsContact O-CB 3.31Å; P77-L80 WeakPolarHBondContact O-CB 3.33Å; P77-L80 PolarHBondContact O-N 3.12Å; P77-L80 VanDerWaalsContact O-N 3.11Å; P77-P114 HydrophobicContact CB-CG 4.19Å; P77-P114 HydrophobicContact CG-CB 4.23Å; P77-P114 HydrophobicContact CG-CG 4.4Å
78	Y	98.3	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-25.1	173.5	-174.4	-99.9	0	0	0	113	I47 V51 W74 E75 Y76 L80 S81 P114 L115 H159	I47-Y78 HydrophobicContact CG2-CE1 4.26Å; V51-Y78 HydrophobicContact CG1-CD1 4.39Å; V51-Y78 HydrophobicContact CG2-CD1 4.39Å; V51-Y78 HydrophobicContact CG2-CE1 4.36Å; W74-Y78 HydrophobicContact CE3-CG 4.28Å; W74-Y78 HydrophobicContact CZ3-CD1 4.15Å; W74-Y78 HydrophobicContact CZ3-CD2 4.27Å; W74-Y78 AromaticContact CZ3-CG 3.9Å; W74-Y78 HydrophobicContact CZ3-CG 3.9Å; W74-Y78 VanDerWaalsContact O-CB 3.28Å; W74-Y78 WeakPolarHBondContact O-CB 3.43Å; W74-Y78 PolarHBondContact O-N 2.83Å; E75-Y78 WeakPolarHBondContact O-CB 3.42Å; E75-Y78 PolarHBondContact O-N 3.13Å; Y76-Y78 PolarHBondContact O-N 3.25Å; Y78-L80 PolarHBondContact O-N 3.04Å; Y78-S81 WeakPolarHBondContact O-CB 3.38Å; Y78-S81 PolarHBondContact O-N 2.94Å; Y78-S81 PolarHBondContact O-OG 3.3Å; Y78-P114 HydrophobicContact CD2-CB 4.35Å; Y78-L115 HydrophobicContact CD2-CD2 4Å; Y78-L115 HydrophobicContact CD2-CG 4.08Å; Y78-L115 HydrophobicContact CE2-CD1 3.98Å; Y78-L115 HydrophobicContact CE2-CD2 3.81Å; Y78-L115 HydrophobicContact CE2-CG 3.88Å; Y78-H159 AromaticContact CE2-NE2 3.62Å; Y78-H159 AromaticContact CZ-NE2 3.76Å; Y78-H159 PolarHBondContact OH-NE2 3.33Å; Y78-H159 VanDerWaalsContact OH-NE2 3.1Å
79	L	98.1	Very high	96.9	Very high	44 Å²	44	36.3 Å²	36.3	23%	0.23	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.8	172.2	-64.3	178.4	0	0	0	112.5	W48 V51 A52 V55 E75 Y76 P77 S81 L82	W48-L79 HydrophobicContact CZ2-CD2 4.46Å; W48-L79 PolarHBondContact NE1-O 3.38Å; V51-L79 HydrophobicContact CG1-CD2 4.09Å; A52-L79 HydrophobicContact CB-CD2 3.91Å; V55-L79 HydrophobicContact CB-CD1 4.49Å; V55-L79 HydrophobicContact CG1-CD1 4.26Å; V55-L79 HydrophobicContact CG2-CD1 4.37Å; E75-L79 PolarHBondContact O-N 3.26Å; E75-L79 VanDerWaalsContact O-N 3.13Å; Y76-L79 WeakPolarHBondContact O-CB 3.37Å; Y76-L79 PolarHBondContact O-N 2.7Å; Y76-L79 VanDerWaalsContact O-N 3.14Å; P77-L79 PolarHBondContact O-N 3.43Å; L79-S81 PolarHBondContact O-N 3.4Å; L79-L82 PolarHBondContact O-N 3.14Å
80	L	98.2	Very high	97.2	Very high	80 Å²	80	41 Å²	41	42%	0.419	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-69.8	-10.6	173.1	-59.2	177.1	0	0	0	113	P77 Y78 L82 I83 F110	P77-L80 VanDerWaalsContact O-CB 3.31Å; P77-L80 WeakPolarHBondContact O-CB 3.33Å; P77-L80 PolarHBondContact O-N 3.12Å; P77-L80 VanDerWaalsContact O-N 3.11Å; Y78-L80 PolarHBondContact O-N 3.04Å; L80-L82 PolarHBondContact O-N 3.06Å; L80-I83 HydrophobicContact CB-CD1 4.41Å; L80-I83 HydrophobicContact CD2-CD1 4.47Å; L80-I83 WeakPolarHBondContact O-CB 3.5Å; L80-I83 WeakPolarHBondContact O-CG1 3.33Å; L80-I83 PolarHBondContact O-N 3.4Å; L80-F110 HydrophobicContact CB-CB 3.94Å; L80-F110 HydrophobicContact CB-CD1 3.79Å; L80-F110 HydrophobicContact CB-CD2 4.42Å; L80-F110 HydrophobicContact CB-CE1 4.41Å; L80-F110 HydrophobicContact CB-CG 3.81Å; L80-F110 HydrophobicContact CD1-CD1 3.88Å; L80-F110 HydrophobicContact CD1-CE1 3.85Å
81	S	98.1	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10.5	171.5	70.5	0	0	0	0	113.3	H44 Y78 L79 I83 P84 L85 F110 S111	H44-S81 PolarHBondContact CE1-O 2.95Å; H44-S81 WeakPolarHBondContact NE2-CB 3.44Å; H44-S81 PolarHBondContact NE2-OG 2.98Å; Y78-S81 WeakPolarHBondContact O-CB 3.38Å; Y78-S81 PolarHBondContact O-N 2.94Å; Y78-S81 PolarHBondContact O-OG 3.3Å; L79-S81 PolarHBondContact O-N 3.4Å; S81-I83 PolarHBondContact O-N 3.48Å; S81-P84 VanDerWaalsContact O-CD 3.23Å; S81-P84 WeakPolarHBondContact O-CD 3.35Å; S81-P84 VanDerWaalsContact O-CG 3.23Å; S81-P84 WeakPolarHBondContact O-CG 3.44Å; S81-L85 PolarHBondContact O-N 3.21Å; S81-F110 WeakPolarHBondContact CB-O 3.45Å; S81-S111 VanDerWaalsContact CB-OG 3.28Å; S81-S111 WeakPolarHBondContact CB-OG 3.46Å
82	L	98	Very high	97.3	Very high	52 Å²	52	38 Å²	38	27%	0.272	20%	0.198	S	C	.	.	H	α-helix	trans	-59.5	-32.3	167.3	-172.4	61.2	0	0	0	112.3	W48 L79 L80 L85 L86	W48-L82 HydrophobicContact CD2-CD1 4.49Å; W48-L82 HydrophobicContact CH2-CD2 4.1Å; W48-L82 HydrophobicContact CZ2-CB 4.17Å; W48-L82 HydrophobicContact CZ2-CD2 3.83Å; W48-L82 HydrophobicContact CZ2-CG 4.42Å; L79-L82 PolarHBondContact O-N 3.14Å; L80-L82 PolarHBondContact O-N 3.06Å; L82-L85 HydrophobicContact CD1-CD2 4.1Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 PolarHBondContact O-N 3.09Å; L82-L86 HydrophobicContact CD1-CD1 4.47Å; L82-L86 HydrophobicContact CD1-CG 4.24Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 HydrophobicContact CG-CG 4.2Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.43Å
83	I	98.1	Very high	97.2	Very high	73 Å²	73	42.1 Å²	42.1	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-58.5	-179.7	-60.4	169.3	0	0	0	111.5	L80 S81 L85 L86 C87 F110	L80-I83 HydrophobicContact CB-CD1 4.41Å; L80-I83 HydrophobicContact CD2-CD1 4.47Å; L80-I83 WeakPolarHBondContact O-CB 3.5Å; L80-I83 WeakPolarHBondContact O-CG1 3.33Å; L80-I83 PolarHBondContact O-N 3.4Å; S81-I83 PolarHBondContact O-N 3.48Å; I83-L85 PolarHBondContact O-N 3.45Å; I83-L86 PolarHBondContact O-N 3.27Å; I83-C87 PolarHBondContact O-N 3.39Å; I83-C87 PolarHBondContact O-SG 3.45Å; I83-F110 HydrophobicContact CB-CD2 4.47Å; I83-F110 HydrophobicContact CD1-CD2 4.13Å; I83-F110 HydrophobicContact CD1-CE2 3.95Å
84	P	97.9	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-32.7	177.6	18.3	-29.6	0	0	0	113.1	S81 S88 S103 S106 A107 S111	S81-P84 VanDerWaalsContact O-CD 3.23Å; S81-P84 WeakPolarHBondContact O-CD 3.35Å; S81-P84 VanDerWaalsContact O-CG 3.23Å; S81-P84 WeakPolarHBondContact O-CG 3.44Å; P84-S88 WeakPolarHBondContact O-CB 3.3Å; P84-S88 PolarHBondContact O-N 3.05Å; P84-S103 WeakPolarHBondContact CB-O 3.42Å; P84-S103 PolarHBondContact O-OG 2.82Å; P84-S106 WeakPolarHBondContact CA-OG 3.49Å; P84-S106 WeakPolarHBondContact CB-OG 3.28Å; P84-A107 HydrophobicContact CB-CB 3.88Å; P84-A107 HydrophobicContact CG-CB 4.38Å; P84-S111 WeakPolarHBondContact CG-OG 3.49Å
85	L	97.9	Very high	96.6	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-47.1	176.2	177.1	60.9	0	0	0	112.3	N41 H44 L45 S81 L82 I83 S89	N41-L85 HydrophobicContact CB-CD1 3.49Å; N41-L85 VanDerWaalsContact CB-CD1 3.49Å; N41-L85 VanDerWaalsContact O-CD1 3.3Å; N41-L85 WeakPolarHBondContact O-CD1 3.28Å; H44-L85 HydrophobicContact CB-CD1 4.45Å; L45-L85 HydrophobicContact CB-CD2 3.86Å; L45-L85 HydrophobicContact CD1-CD2 3.82Å; L45-L85 HydrophobicContact CG-CD2 4.41Å; S81-L85 PolarHBondContact O-N 3.21Å; L82-L85 HydrophobicContact CD1-CD2 4.1Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 PolarHBondContact O-N 3.09Å; I83-L85 PolarHBondContact O-N 3.45Å; L85-S89 WeakPolarHBondContact O-CB 3.39Å; L85-S89 PolarHBondContact O-N 2.84Å; L85-S89 PolarHBondContact O-OG 2.93Å
86	L	97.9	Very high	96.5	Very high	95 Å²	95	49 Å²	49	50%	0.497	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-47.5	177.8	-68.2	176.3	0	0	0	111.1	L82 I83 S88 S89 L90	L82-L86 HydrophobicContact CD1-CD1 4.47Å; L82-L86 HydrophobicContact CD1-CG 4.24Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 HydrophobicContact CG-CG 4.2Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.43Å; I83-L86 PolarHBondContact O-N 3.27Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.35Å; L86-S89 PolarHBondContact O-N 2.94Å; L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 2.88Å
87	C	97.8	Very high	96.4	Very high	20 Å²	20	46.7 Å²	46.7	14%	0.135	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-42.3	177	-67.6	0	0	0	0	112	I83 L90 S91	I83-C87 PolarHBondContact O-N 3.39Å; I83-C87 PolarHBondContact O-SG 3.45Å; C87-L90 PolarHBondContact O-N 2.83Å; C87-S91 WeakPolarHBondContact O-CB 3.4Å; C87-S91 PolarHBondContact O-N 2.71Å
88	S	97.3	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-52.8	174.9	177.5	0	0	0	0	110.2	V37 N41 P84 L86 L90 S91 L92 S103	V37-S88 WeakPolarHBondContact CG1-OG 3.46Å; N41-S88 PolarHBondContact ND2-OG 3.34Å; N41-S88 PolarHBondContact OD1-OG 3.1Å; P84-S88 WeakPolarHBondContact O-CB 3.3Å; P84-S88 PolarHBondContact O-N 3.05Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.35Å; S88-L90 VanDerWaalsContact C-N 3.35Å; S88-L90 PolarHBondContact O-N 3.45Å; S88-S91 WeakPolarHBondContact O-CB 3.37Å; S88-S91 PolarHBondContact O-N 3.44Å; S88-S91 PolarHBondContact O-OG 2.91Å; S88-L92 WeakPolarHBondContact O-CG 3.2Å; S88-S103 WeakPolarHBondContact CB-OG 3.31Å; S88-S103 PolarHBondContact N-OG 3.39Å
89	S	97.1	Very high	96.3	Very high	52 Å²	52	53 Å²	53	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-39.7	-176.7	-58.2	0	0	0	0	112.8	N41 L85 L86 S91 P93	N41-S89 PolarHBondContact ND2-OG 3.24Å; L85-S89 WeakPolarHBondContact O-CB 3.39Å; L85-S89 PolarHBondContact O-N 2.84Å; L85-S89 PolarHBondContact O-OG 2.93Å; L86-S89 PolarHBondContact O-N 2.94Å; S89-S91 VanDerWaalsContact C-N 3.31Å; S89-S91 PolarHBondContact O-N 3.01Å; S89-P93 VanDerWaalsContact O-CD 3.29Å; S89-P93 WeakPolarHBondContact O-CD 3.41Å
90	L	97.1	Very high	96.2	Very high	105 Å²	105	50.9 Å²	50.9	55%	0.55	28%	0.279	S	S	.	.	H	α-helix	trans	-71	-24.3	176.4	-67.8	174.8	0	0	0	113.2	L86 C87 S88	L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 2.88Å; C87-L90 PolarHBondContact O-N 2.83Å; S88-L90 VanDerWaalsContact C-N 3.35Å; S88-L90 PolarHBondContact O-N 3.45Å
91	S	96.4	Very high	96.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-72	-30.6	177.9	79	0	0	0	0	113.2	C87 S88 S89 N95 N96 W173	C87-S91 WeakPolarHBondContact O-CB 3.4Å; C87-S91 PolarHBondContact O-N 2.71Å; S88-S91 WeakPolarHBondContact O-CB 3.37Å; S88-S91 PolarHBondContact O-N 3.44Å; S88-S91 PolarHBondContact O-OG 2.91Å; S89-S91 VanDerWaalsContact C-N 3.31Å; S89-S91 PolarHBondContact O-N 3.01Å; S91-N95 WeakPolarHBondContact O-CA 3.24Å; S91-N95 PolarHBondContact O-N 3.37Å; S91-N95 VanDerWaalsContact O-N 3.1Å; S91-N96 WeakPolarHBondContact CB-O 3.44Å; S91-N96 PolarHBondContact O-N 3.31Å; S91-W173 WeakPolarHBondContact O-CH2 3.36Å
92	L	94.6	Very high	96.2	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-70.2	-40.9	-168.4	-54.6	-179.5	0	0	0	115.5	K34 V37 R38 S88 L169 W173	K34-L92 WeakPolarHBondContact CE-O 3.33Å; K34-L92 HydrophobicContact CG-CD2 4.14Å; K34-L92 PolarHBondContact NZ-O 3.18Å; V37-L92 HydrophobicContact CG1-CD1 4.35Å; V37-L92 HydrophobicContact CG1-CD2 4.19Å; R38-L92 HydrophobicContact CB-CD1 4.24Å; S88-L92 WeakPolarHBondContact O-CG 3.2Å; L92-L169 HydrophobicContact CD2-CD2 3.84Å; L92-W173 HydrophobicContact CD2-CH2 4.42Å
93	P	92.8	Very high	96.2	Very high	89 Å²	89	51.1 Å²	51.1	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-63.6	-44	-177.3	-24.4	34.9	0	0	0	112.6	S89	S89-P93 VanDerWaalsContact O-CD 3.29Å; S89-P93 WeakPolarHBondContact O-CD 3.41Å
94	N	89.6	Confident	96.2	Very high	139 Å²	139	49.2 Å²	49.2	74%	0.743	27%	0.271	S	S	*	.	H	α-helix	trans	-105.9	7.6	-171.4	-65.6	-32.3	0	0	0	114.1	N96	N94-N96 PolarHBondContact O-N 3.3Å
95	N	92.4	Very high	96.1	Very high	62 Å²	62	55 Å²	55	33%	0.332	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	41.8	-172.6	-58	-24.7	0	0	0	112.6	K34 S91 I97 W173	K34-N95 WeakPolarHBondContact CE-OD1 3.42Å; K34-N95 PolarHBondContact NZ-OD1 3.34Å; S91-N95 WeakPolarHBondContact O-CA 3.24Å; S91-N95 PolarHBondContact O-N 3.37Å; S91-N95 VanDerWaalsContact O-N 3.1Å; N95-I97 PolarHBondContact O-N 2.94Å; N95-W173 HydrophobicContact CB-CD2 3.82Å; N95-W173 HydrophobicContact CB-CE3 4.12Å; N95-W173 HydrophobicContact CB-CG 4.29Å; N95-W173 HydrophobicContact CB-CH2 4.4Å; N95-W173 HydrophobicContact CB-CZ2 4.1Å; N95-W173 HydrophobicContact CB-CZ3 4.38Å; N95-W173 WeakPolarHBondContact OD1-CZ2 3.29Å
96	N	94.9	Very high	96.1	Very high	57 Å²	57	55.2 Å²	55.2	31%	0.305	30%	0.303	S	S	.	.			trans	-77.4	102	-174.5	-170	-37.3	0	0	0	110.2	S91 N94 S98 Y99 L100	S91-N96 WeakPolarHBondContact CB-O 3.44Å; S91-N96 PolarHBondContact O-N 3.31Å; N94-N96 PolarHBondContact O-N 3.3Å; N96-S98 VanDerWaalsContact C-N 3.29Å; N96-S98 PolarHBondContact O-N 3.46Å; N96-S98 WeakPolarHBondContact OD1-CB 3.43Å; N96-S98 PolarHBondContact OD1-N 3.43Å; N96-Y99 HydrophobicContact CB-CD2 3.85Å; N96-Y99 WeakPolarHBondContact ND2-CD2 3.44Å; N96-Y99 WeakPolarHBondContact ND2-CE2 3.28Å; N96-Y99 PolarHBondContact O-N 2.94Å; N96-Y99 PolarHBondContact OD1-N 3.34Å; N96-L100 PolarHBondContact O-N 3.26Å; N96-L100 VanDerWaalsContact O-N 3.14Å
97	I	94.5	Very high	96.1	Very high	47 Å²	47	50.7 Å²	50.7	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-42.2	-179.5	-68.1	175	0	0	0	111.4	N95 L100 V101 L170 W173	N95-I97 PolarHBondContact O-N 2.94Å; I97-L100 PolarHBondContact O-N 3.36Å; I97-V101 HydrophobicContact CG2-CG2 4.34Å; I97-V101 WeakPolarHBondContact O-CG2 3.43Å; I97-V101 PolarHBondContact O-N 3.11Å; I97-L170 HydrophobicContact CG2-CD1 3.71Å; I97-W173 HydrophobicContact CD1-CB 4.2Å; I97-W173 HydrophobicContact CG1-CB 4.04Å; I97-W173 HydrophobicContact CG1-CE3 4.13Å
98	S	95.6	Very high	96.1	Very high	80 Å²	80	51.3 Å²	51.3	56%	0.559	29%	0.289	S	S	*	.	H	α-helix	trans	-63.1	-46.7	-177.7	-55.3	0	0	0	0	111.9	N96 L100 V101 I102	N96-S98 VanDerWaalsContact C-N 3.29Å; N96-S98 PolarHBondContact O-N 3.46Å; N96-S98 WeakPolarHBondContact OD1-CB 3.43Å; N96-S98 PolarHBondContact OD1-N 3.43Å; S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 2.75Å; S98-V101 PolarHBondContact O-N 3.4Å; S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.31Å; S98-I102 PolarHBondContact O-N 3.01Å
99	Y	97.3	Very high	96.1	Very high	105 Å²	105	56.3 Å²	56.3	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-35.6	176.2	-77.8	-60.8	0	0	0	112.4	N96 S103	N96-Y99 HydrophobicContact CB-CD2 3.85Å; N96-Y99 WeakPolarHBondContact ND2-CD2 3.44Å; N96-Y99 WeakPolarHBondContact ND2-CE2 3.28Å; N96-Y99 PolarHBondContact O-N 2.94Å; N96-Y99 PolarHBondContact OD1-N 3.34Å; Y99-S103 VanDerWaalsContact O-CB 3.28Å; Y99-S103 WeakPolarHBondContact O-CB 3.47Å; Y99-S103 PolarHBondContact O-N 3.04Å
100	L	97.1	Very high	96.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-43.1	177	-172.1	65.8	0	0	0	111.5	N96 I97 S98 S103 M104 M166 L169 L170 W173	N96-L100 PolarHBondContact O-N 3.26Å; N96-L100 VanDerWaalsContact O-N 3.14Å; I97-L100 PolarHBondContact O-N 3.36Å; S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 2.75Å; L100-S103 WeakPolarHBondContact O-CB 3.23Å; L100-S103 PolarHBondContact O-N 3.1Å; L100-M104 WeakPolarHBondContact O-CG 3.12Å; L100-M104 PolarHBondContact O-N 3Å; L100-M166 HydrophobicContact CD1-CB 3.86Å; L100-M166 HydrophobicContact CD1-CG 3.73Å; L100-M166 HydrophobicContact CD1-SD 3.98Å; L100-L169 HydrophobicContact CD2-CB 4.28Å; L100-L169 HydrophobicContact CD2-CD2 4.34Å; L100-L169 HydrophobicContact CD2-CG 4.24Å; L100-L170 HydrophobicContact CD2-CB 3.79Å; L100-L170 HydrophobicContact CD2-CD1 4.23Å; L100-W173 HydrophobicContact CB-CZ3 3.98Å; L100-W173 HydrophobicContact CD2-CE3 3.73Å; L100-W173 HydrophobicContact CD2-CH2 4.15Å; L100-W173 HydrophobicContact CD2-CZ3 3.52Å; L100-W173 HydrophobicContact CG-CZ3 4.26Å
101	V	97.4	Very high	96.2	Very high	53 Å²	53	51.3 Å²	51.3	32%	0.321	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-45.6	176.3	172.7	0	0	0	0	111.2	I97 S98 S103 M104 I105 L170	I97-V101 HydrophobicContact CG2-CG2 4.34Å; I97-V101 WeakPolarHBondContact O-CG2 3.43Å; I97-V101 PolarHBondContact O-N 3.11Å; S98-V101 PolarHBondContact O-N 3.4Å; V101-S103 VanDerWaalsContact C-N 3.28Å; V101-S103 PolarHBondContact O-N 3.02Å; V101-M104 PolarHBondContact O-N 3.48Å; V101-M104 VanDerWaalsContact O-N 3.17Å; V101-I105 HydrophobicContact CG1-CD1 3.88Å; V101-I105 WeakPolarHBondContact O-CG1 3.23Å; V101-I105 PolarHBondContact O-N 3.49Å; V101-L170 HydrophobicContact CG2-CD1 3.71Å; V101-L170 HydrophobicContact CG2-CD2 3.91Å; V101-L170 HydrophobicContact CG2-CG 4.49Å
102	I	97.8	Very high	96.2	Very high	84 Å²	84	53.6 Å²	53.6	43%	0.431	30%	0.296	S	S	.	.	H	α-helix	trans	-58.2	-44.2	175.3	-68.9	166.3	0	0	0	110.2	S98 M104 I105 S106	S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.31Å; S98-I102 PolarHBondContact O-N 3.01Å; I102-M104 PolarHBondContact O-N 3.36Å; I102-I105 PolarHBondContact O-N 2.85Å; I102-S106 VanDerWaalsContact O-CB 3.3Å; I102-S106 WeakPolarHBondContact O-CB 3.42Å; I102-S106 PolarHBondContact O-N 2.8Å; I102-S106 PolarHBondContact O-OG 3.07Å
103	S	97.9	Very high	96.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-44.5	176	176.1	0	0	0	0	112	P84 S88 Y99 L100 V101 S106 A107	P84-S103 WeakPolarHBondContact CB-O 3.42Å; P84-S103 PolarHBondContact O-OG 2.82Å; S88-S103 WeakPolarHBondContact CB-OG 3.31Å; S88-S103 PolarHBondContact N-OG 3.39Å; Y99-S103 VanDerWaalsContact O-CB 3.28Å; Y99-S103 WeakPolarHBondContact O-CB 3.47Å; Y99-S103 PolarHBondContact O-N 3.04Å; L100-S103 WeakPolarHBondContact O-CB 3.23Å; L100-S103 PolarHBondContact O-N 3.1Å; V101-S103 VanDerWaalsContact C-N 3.28Å; V101-S103 PolarHBondContact O-N 3.02Å; S103-S106 WeakPolarHBondContact CA-OG 3.31Å; S103-S106 PolarHBondContact O-OG 3Å; S103-A107 WeakPolarHBondContact O-CB 3.33Å; S103-A107 PolarHBondContact O-N 3.17Å
104	M	97.9	Very high	96.6	Very high	33 Å²	33	51.6 Å²	51.6	16%	0.163	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-43.8	179.9	-70.1	175.3	66.6	0	0	113.1	L100 V101 I102 A107 G108 M166 K167 L170	L100-M104 WeakPolarHBondContact O-CG 3.12Å; L100-M104 PolarHBondContact O-N 3Å; V101-M104 PolarHBondContact O-N 3.48Å; V101-M104 VanDerWaalsContact O-N 3.17Å; I102-M104 PolarHBondContact O-N 3.36Å; M104-A107 PolarHBondContact O-N 2.93Å; M104-G108 PolarHBondContact O-N 3.37Å; M104-M166 HydrophobicContact CG-CB 3.82Å; M104-M166 HydrophobicContact CG-CE 3.97Å; M104-M166 HydrophobicContact CG-SD 4.36Å; M104-M166 HydrophobicContact SD-CB 3.95Å; M104-K167 HydrophobicContact CE-CB 3.67Å; M104-K167 HydrophobicContact CE-CD 3.83Å; M104-K167 HydrophobicContact CE-CG 4.32Å; M104-L170 HydrophobicContact SD-CD2 4.06Å
105	I	97.6	Very high	97	Very high	122 Å²	122	45.2 Å²	45.2	63%	0.626	25%	0.253	S	S	*	.	H	α-helix	trans	-65.6	-47.8	178.4	-63.9	169.5	0	0	0	110	V101 I102 A107 G108 L109	V101-I105 HydrophobicContact CG1-CD1 3.88Å; V101-I105 WeakPolarHBondContact O-CG1 3.23Å; V101-I105 PolarHBondContact O-N 3.49Å; I102-I105 PolarHBondContact O-N 2.85Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.39Å; I105-G108 PolarHBondContact O-N 3.4Å; I105-L109 PolarHBondContact O-N 3.22Å
106	S	97.8	Very high	97.3	Very high	11 Å²	11	47.4 Å²	47.4	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-27.2	177.9	57.9	0	0	0	0	113	P84 I102 S103 L109 F110	P84-S106 WeakPolarHBondContact CA-OG 3.49Å; P84-S106 WeakPolarHBondContact CB-OG 3.28Å; I102-S106 VanDerWaalsContact O-CB 3.3Å; I102-S106 WeakPolarHBondContact O-CB 3.42Å; I102-S106 PolarHBondContact O-N 2.8Å; I102-S106 PolarHBondContact O-OG 3.07Å; S103-S106 WeakPolarHBondContact CA-OG 3.31Å; S103-S106 PolarHBondContact O-OG 3Å; S106-L109 PolarHBondContact O-N 3.02Å; S106-F110 WeakPolarHBondContact O-CB 3.39Å; S106-F110 PolarHBondContact O-N 2.65Å
107	A	97.8	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-42.6	172.4	0	0	0	0	0	111.5	P84 S103 M104 I105 L109 S111 V112 I163	P84-A107 HydrophobicContact CB-CB 3.88Å; P84-A107 HydrophobicContact CG-CB 4.38Å; S103-A107 WeakPolarHBondContact O-CB 3.33Å; S103-A107 PolarHBondContact O-N 3.17Å; M104-A107 PolarHBondContact O-N 2.93Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.39Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.24Å; A107-S111 CarbonylContact O-C 3.59Å; A107-S111 WeakPolarHBondContact O-CA 3Å; A107-S111 WeakPolarHBondContact O-CB 3.35Å; A107-S111 PolarHBondContact O-N 2.97Å; A107-V112 PolarHBondContact O-N 3.27Å; A107-I163 HydrophobicContact CB-CD1 4.17Å; A107-I163 HydrophobicContact CB-CG1 4.1Å
108	G	96.8	Very high	97.6	Very high	33 Å²	33	48 Å²	48	34%	0.34	26%	0.26	S	S	.	.	I	π-helix	trans	-57	-47.5	172.8	0	0	0	0	0	112.1	M104 I105 A113	M104-G108 PolarHBondContact O-N 3.37Å; I105-G108 PolarHBondContact O-N 3.4Å; G108-A113 PolarHBondContact O-N 2.98Å
109	L	97.6	Very high	97.6	Very high	105 Å²	105	45.2 Å²	45.2	55%	0.55	24%	0.243	S	C	.	.	I	π-helix	trans	-76.2	-45.3	-174.9	-175.7	61.3	0	0	0	114.2	I105 S106 A107 A113 P114	I105-L109 PolarHBondContact O-N 3.22Å; S106-L109 PolarHBondContact O-N 3.02Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.24Å; L109-A113 WeakPolarHBondContact O-CB 3.49Å; L109-P114 WeakPolarHBondContact O-CD 3.33Å
110	F	98	Very high	97.6	Very high	53 Å²	53	46.8 Å²	46.8	23%	0.232	26%	0.256	C	S	.	.	I	π-helix	trans	-105.6	-11.7	-170.5	-58.5	-48.8	0	0	0	114.1	L80 S81 I83 S106 P114	L80-F110 HydrophobicContact CB-CB 3.94Å; L80-F110 HydrophobicContact CB-CD1 3.79Å; L80-F110 HydrophobicContact CB-CD2 4.42Å; L80-F110 HydrophobicContact CB-CE1 4.41Å; L80-F110 HydrophobicContact CB-CG 3.81Å; L80-F110 HydrophobicContact CD1-CD1 3.88Å; L80-F110 HydrophobicContact CD1-CE1 3.85Å; S81-F110 WeakPolarHBondContact CB-O 3.45Å; I83-F110 HydrophobicContact CB-CD2 4.47Å; I83-F110 HydrophobicContact CD1-CD2 4.13Å; I83-F110 HydrophobicContact CD1-CE2 3.95Å; S106-F110 WeakPolarHBondContact O-CB 3.39Å; S106-F110 PolarHBondContact O-N 2.65Å; F110-P114 WeakPolarHBondContact O-CG 3.43Å
111	S	97.6	Very high	97.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-110.9	-50.8	178.2	-46.1	0	0	0	0	111.5	S81 P84 A107 L115	S81-S111 VanDerWaalsContact CB-OG 3.28Å; S81-S111 WeakPolarHBondContact CB-OG 3.46Å; P84-S111 WeakPolarHBondContact CG-OG 3.49Å; A107-S111 CarbonylContact O-C 3.59Å; A107-S111 WeakPolarHBondContact O-CA 3Å; A107-S111 WeakPolarHBondContact O-CB 3.35Å; A107-S111 PolarHBondContact O-N 2.97Å; S111-L115 VanDerWaalsContact O-CD1 3.3Å; S111-L115 WeakPolarHBondContact O-CD1 3.32Å; S111-L115 VanDerWaalsContact O-CG 3.24Å; S111-L115 WeakPolarHBondContact O-CG 3.08Å
112	V	98	Very high	97.5	Very high	48 Å²	48	46.4 Å²	46.4	29%	0.291	25%	0.25	S	S	.	.	I	π-helix	trans	-80.2	-48.3	-176.3	-180	0	0	0	0	112	A107 L115 I116 H159 I163	A107-V112 PolarHBondContact O-N 3.27Å; V112-L115 PolarHBondContact O-N 3.43Å; V112-L115 VanDerWaalsContact O-N 3.13Å; V112-I116 HydrophobicContact CG1-CD1 3.88Å; V112-I116 HydrophobicContact CG1-CG1 4.36Å; V112-I116 PolarHBondContact O-N 3.33Å; V112-I116 VanDerWaalsContact O-N 3.08Å; V112-H159 HydrophobicContact CG2-CB 4.25Å; V112-I163 HydrophobicContact CG2-CD1 3.77Å
113	A	97.8	Very high	97.5	Very high	44 Å²	44	47.7 Å²	47.7	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-42.7	-175.8	0	0	0	0	0	113.9	G108 L109 L115 I116 Y117	G108-A113 PolarHBondContact O-N 2.98Å; L109-A113 WeakPolarHBondContact O-CB 3.49Å; A113-L115 VanDerWaalsContact C-N 3.28Å; A113-L115 PolarHBondContact O-N 3.18Å; A113-I116 PolarHBondContact O-N 3.17Å; A113-Y117 PolarHBondContact O-N 3.06Å
114	P	98.1	Very high	97.3	Very high	8 Å²	8	51 Å²	51	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-36.2	174.6	-27.1	38.5	0	0	0	112.8	W74 P77 Y78 L109 F110 Y117 G118	W74-P114 WeakPolarHBondContact CB-O 3.29Å; P77-P114 HydrophobicContact CB-CG 4.19Å; P77-P114 HydrophobicContact CG-CB 4.23Å; P77-P114 HydrophobicContact CG-CG 4.4Å; Y78-P114 HydrophobicContact CD2-CB 4.35Å; L109-P114 WeakPolarHBondContact O-CD 3.33Å; F110-P114 WeakPolarHBondContact O-CG 3.43Å; P114-Y117 PolarHBondContact O-N 2.65Å; P114-G118 PolarHBondContact O-N 2.89Å
115	L	97.9	Very high	97.2	Very high	5 Å²	5	51 Å²	51	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-38.7	178.4	-64.2	173.9	0	0	0	112.2	W74 Y78 S111 V112 A113 G118 G119 M152 A155 V156	W74-L115 HydrophobicContact CE3-CD2 4.02Å; W74-L115 HydrophobicContact CH2-CD2 4.21Å; W74-L115 HydrophobicContact CZ3-CD2 3.56Å; Y78-L115 HydrophobicContact CD2-CD2 4Å; Y78-L115 HydrophobicContact CD2-CG 4.08Å; Y78-L115 HydrophobicContact CE2-CD1 3.98Å; Y78-L115 HydrophobicContact CE2-CD2 3.81Å; Y78-L115 HydrophobicContact CE2-CG 3.88Å; S111-L115 VanDerWaalsContact O-CD1 3.3Å; S111-L115 WeakPolarHBondContact O-CD1 3.32Å; S111-L115 VanDerWaalsContact O-CG 3.24Å; S111-L115 WeakPolarHBondContact O-CG 3.08Å; V112-L115 PolarHBondContact O-N 3.43Å; V112-L115 VanDerWaalsContact O-N 3.13Å; A113-L115 VanDerWaalsContact C-N 3.28Å; A113-L115 PolarHBondContact O-N 3.18Å; L115-G118 PolarHBondContact O-N 3.11Å; L115-G119 PolarHBondContact O-N 3.38Å; L115-M152 HydrophobicContact CB-CG 4.47Å; L115-M152 HydrophobicContact CD2-CE 4.2Å; L115-M152 HydrophobicContact CD2-CG 4.12Å; L115-M152 VanDerWaalsContact O-SD 3.38Å; L115-A155 HydrophobicContact CD1-CB 3.79Å; L115-A155 HydrophobicContact CD2-CB 4.09Å; L115-V156 HydrophobicContact CB-CG2 4.07Å; L115-V156 HydrophobicContact CD1-CG2 3.87Å
116	I	97.8	Very high	97	Very high	108 Å²	108	45.6 Å²	45.6	55%	0.554	25%	0.25	S	S	*	.	H	α-helix	trans	-61.9	-49	173.6	-65.3	171.2	0	0	0	109.8	V112 A113 G118 G119 M120	V112-I116 HydrophobicContact CG1-CD1 3.88Å; V112-I116 HydrophobicContact CG1-CG1 4.36Å; V112-I116 PolarHBondContact O-N 3.33Å; V112-I116 VanDerWaalsContact O-N 3.08Å; A113-I116 PolarHBondContact O-N 3.17Å; I116-G118 PolarHBondContact O-N 3.34Å; I116-G119 PolarHBondContact O-N 2.89Å; I116-M120 PolarHBondContact O-N 2.86Å
117	Y	97.9	Very high	96.9	Very high	117 Å²	117	48.4 Å²	48.4	46%	0.459	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-47.6	177.4	170	-106	0	0	0	111.8	Q73 W74 A113 P114 G119 M120 E121	Q73-Y117 HydrophobicContact CB-CE1 3.98Å; W74-Y117 HydrophobicContact CB-CD1 3.74Å; W74-Y117 HydrophobicContact CB-CE1 4.21Å; A113-Y117 PolarHBondContact O-N 3.06Å; P114-Y117 PolarHBondContact O-N 2.65Å; Y117-G119 VanDerWaalsContact C-N 3.3Å; Y117-G119 PolarHBondContact O-N 3.41Å; Y117-M120 CarbonylContact O-C 3.58Å; Y117-M120 WeakPolarHBondContact O-CB 3.27Å; Y117-M120 PolarHBondContact O-N 3.38Å; Y117-E121 HydrophobicContact CE1-CB 4.43Å; Y117-E121 PolarHBondContact O-N 2.93Å
118	G	97.6	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-36.1	179	0	0	0	0	0	113.3	P114 L115 I116 M120 E121 M122	P114-G118 PolarHBondContact O-N 2.89Å; L115-G118 PolarHBondContact O-N 3.11Å; I116-G118 PolarHBondContact O-N 3.34Å; G118-M120 PolarHBondContact O-N 3.11Å; G118-E121 PolarHBondContact O-N 3.42Å; G118-M122 WeakPolarHBondContact O-CB 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.37Å; G118-M122 PolarHBondContact O-N 2.97Å
119	G	96.8	Very high	96.6	Very high	20 Å²	20	52.1 Å²	52.1	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-33.5	173.8	0	0	0	0	0	112.6	L115 I116 Y117 Y149 M152	L115-G119 PolarHBondContact O-N 3.38Å; I116-G119 PolarHBondContact O-N 2.89Å; Y117-G119 VanDerWaalsContact C-N 3.3Å; Y117-G119 PolarHBondContact O-N 3.41Å; G119-Y149 PolarHBondContact O-OH 3.29Å; G119-M152 VanDerWaalsContact CA-SD 3.58Å; G119-M152 PolarHBondContact N-SD 2.85Å; G119-M152 VanDerWaalsContact N-SD 3.45Å
120	M	97.2	Very high	96.4	Very high	138 Å²	138	54.9 Å²	54.9	68%	0.68	28%	0.276	S	S	*	.	H	α-helix	trans	-80.3	-42.1	173.9	-62.1	177.3	66	0	0	112.1	I116 Y117 G118 M122 F123	I116-M120 PolarHBondContact O-N 2.86Å; Y117-M120 CarbonylContact O-C 3.58Å; Y117-M120 WeakPolarHBondContact O-CB 3.27Å; Y117-M120 PolarHBondContact O-N 3.38Å; G118-M120 PolarHBondContact O-N 3.11Å; M120-M122 VanDerWaalsContact C-N 3.34Å; M120-M122 PolarHBondContact O-N 3.49Å; M120-F123 WeakPolarHBondContact O-CB 3.18Å; M120-F123 PolarHBondContact O-N 3.34Å
121	E	96.6	Very high	96.2	Very high	45 Å²	45	61.3 Å²	61.3	21%	0.21	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-45.2	179	-174.5	-164.1	171.5	0	0	111.6	Q73 W74 Y117 G118 F123 P124	Q73-E121 WeakPolarHBondContact CB-OE1 3.49Å; Q73-E121 WeakPolarHBondContact CG-OE1 3.3Å; Q73-E121 PolarHBondContact N-OE1 3.24Å; Q73-E121 PolarHBondContact N-OE2 2.96Å; W74-E121 PolarHBondContact N-OE2 3.42Å; Y117-E121 HydrophobicContact CE1-CB 4.43Å; Y117-E121 PolarHBondContact O-N 2.93Å; G118-E121 PolarHBondContact O-N 3.42Å; E121-F123 VanDerWaalsContact C-N 3.31Å; E121-F123 PolarHBondContact O-N 2.9Å; E121-P124 WeakPolarHBondContact O-CD 3.32Å
122	M	96.1	Very high	96	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.3	-176.6	-68.2	-170.1	-64.3	0	0	113.6	Y72 G118 M120 V125 A126 V145 M148 Y149 M152	Y72-M122 HydrophobicContact CD1-CG 3.76Å; Y72-M122 HydrophobicContact CD1-SD 4.34Å; Y72-M122 HydrophobicContact CD2-CG 4.35Å; Y72-M122 HydrophobicContact CD2-SD 3.85Å; Y72-M122 HydrophobicContact CE1-CG 3.83Å; Y72-M122 HydrophobicContact CE1-SD 4.38Å; Y72-M122 HydrophobicContact CE2-CG 4.42Å; Y72-M122 HydrophobicContact CE2-SD 3.89Å; Y72-M122 HydrophobicContact CG-CG 4.03Å; Y72-M122 HydrophobicContact CG-SD 4.08Å; G118-M122 WeakPolarHBondContact O-CB 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.37Å; G118-M122 PolarHBondContact O-N 2.97Å; M120-M122 VanDerWaalsContact C-N 3.34Å; M120-M122 PolarHBondContact O-N 3.49Å; M122-V125 PolarHBondContact O-N 2.9Å; M122-A126 PolarHBondContact O-N 3.44Å; M122-V145 HydrophobicContact CB-CG2 4.04Å; M122-M148 HydrophobicContact CE-CB 4.08Å; M122-M148 HydrophobicContact SD-CB 3.49Å; M122-M148 WeakPolarHBondContact SD-CB 3.28Å; M122-M148 HydrophobicContact SD-CG 4.33Å; M122-Y149 HydrophobicContact CB-CD2 4.49Å; M122-Y149 HydrophobicContact CB-CE2 3.68Å; M122-Y149 HydrophobicContact CE-CD1 4.39Å; M122-Y149 HydrophobicContact CE-CD2 4.46Å; M122-Y149 HydrophobicContact CE-CE1 4.39Å; M122-Y149 HydrophobicContact CE-CE2 4.46Å; M122-Y149 HydrophobicContact CE-CG 4.43Å; M122-M152 HydrophobicContact CE-CE 3.33Å; M122-M152 HydrophobicContact CE-SD 3.79Å
123	F	96.1	Very high	95.7	Very high	111 Å²	111	68.2 Å²	68.2	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-45.4	-173	-178.5	-107.2	0	0	0	113.8	M120 E121 V125 A126 Q127 Y149	M120-F123 WeakPolarHBondContact O-CB 3.18Å; M120-F123 PolarHBondContact O-N 3.34Å; E121-F123 VanDerWaalsContact C-N 3.31Å; E121-F123 PolarHBondContact O-N 2.9Å; F123-V125 VanDerWaalsContact C-N 3.28Å; F123-V125 PolarHBondContact O-N 3.4Å; F123-A126 PolarHBondContact O-N 3.02Å; F123-Q127 HydrophobicContact CD1-CG 4.46Å; F123-Q127 HydrophobicContact CE1-CG 4.15Å; F123-Q127 HydrophobicContact CE2-CG 4.43Å; F123-Q127 HydrophobicContact CZ-CG 4.14Å; F123-Q127 WeakPolarHBondContact O-CG 3.3Å; F123-Q127 PolarHBondContact O-N 2.97Å; F123-Y149 VanDerWaalsContact CA-OH 3.31Å; F123-Y149 WeakPolarHBondContact CA-OH 3.43Å; F123-Y149 PolarHBondContact N-OH 3.42Å
124	P	95.1	Very high	95.3	Very high	69 Å²	69	71.6 Å²	71.6	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-36.2	175.6	-22.3	34.7	0	0	0	112.7	E121 Q127 Q128	E121-P124 WeakPolarHBondContact O-CD 3.32Å; P124-Q127 PolarHBondContact O-N 2.92Å; P124-Q128 WeakPolarHBondContact O-CG 2.92Å; P124-Q128 PolarHBondContact O-N 3.45Å
125	V	94.6	Very high	94.9	Very high	33 Å²	33	72.8 Å²	72.8	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-68.6	-41.2	178.4	-173.9	0	0	0	0	110.6	M122 F123 Q128 L129 V145	M122-V125 PolarHBondContact O-N 2.9Å; F123-V125 VanDerWaalsContact C-N 3.28Å; F123-V125 PolarHBondContact O-N 3.4Å; V125-Q128 PolarHBondContact O-N 2.89Å; V125-L129 PolarHBondContact O-N 2.94Å; V125-V145 HydrophobicContact CB-CG2 4.3Å; V125-V145 HydrophobicContact CG1-CB 4.01Å; V125-V145 HydrophobicContact CG1-CG1 4.13Å; V125-V145 HydrophobicContact CG1-CG2 4.33Å
126	A	94.6	Very high	94.4	Very high	9 Å²	9	79.4 Å²	79.4	7%	0.074	39%	0.387	C	S	.	.	H	α-helix	trans	-62.9	-41.4	172.9	0	0	0	0	0	111.7	M122 F123 Q128 L129 Y130 V145 Y149	M122-A126 PolarHBondContact O-N 3.44Å; F123-A126 PolarHBondContact O-N 3.02Å; A126-Q128 VanDerWaalsContact C-N 3.32Å; A126-Q128 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 3.44Å; A126-Y130 HydrophobicContact CB-CD2 4.17Å; A126-Y130 HydrophobicContact CB-CE2 4.16Å; A126-Y130 WeakPolarHBondContact O-CD2 3.4Å; A126-Y130 PolarHBondContact O-N 3.35Å; A126-V145 HydrophobicContact CB-CG2 3.92Å; A126-Y149 HydrophobicContact CB-CD2 4.44Å; A126-Y149 HydrophobicContact CB-CE2 3.77Å
127	Q	95	Very high	94.1	Very high	70 Å²	70	78.1 Å²	78.1	33%	0.327	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-40.9	175.3	-73.5	-173.2	-27	0	0	112.3	F123 P124 L129 R131	F123-Q127 HydrophobicContact CD1-CG 4.46Å; F123-Q127 HydrophobicContact CE1-CG 4.15Å; F123-Q127 HydrophobicContact CE2-CG 4.43Å; F123-Q127 HydrophobicContact CZ-CG 4.14Å; F123-Q127 WeakPolarHBondContact O-CG 3.3Å; F123-Q127 PolarHBondContact O-N 2.97Å; P124-Q127 PolarHBondContact O-N 2.92Å; Q127-L129 VanDerWaalsContact C-N 3.35Å; Q127-R131 VanDerWaalsContact O-CB 3.27Å; Q127-R131 WeakPolarHBondContact O-CB 3.33Å; Q127-R131 PolarHBondContact O-N 3.47Å
128	Q	94.1	Very high	93.9	Very high	82 Å²	82	76.3 Å²	76.3	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-43.7	174.9	-73.9	177	-9.9	0	0	111.5	P124 V125 A126 H132 G133 K134 Y136	P124-Q128 WeakPolarHBondContact O-CG 2.92Å; P124-Q128 PolarHBondContact O-N 3.45Å; V125-Q128 PolarHBondContact O-N 2.89Å; A126-Q128 VanDerWaalsContact C-N 3.32Å; A126-Q128 PolarHBondContact O-N 3.4Å; Q128-H132 WeakPolarHBondContact O-CA 3.48Å; Q128-H132 VanDerWaalsContact O-CB 3.3Å; Q128-H132 WeakPolarHBondContact O-CB 3.45Å; Q128-H132 PolarHBondContact O-N 3.26Å; Q128-G133 PolarHBondContact O-N 3.04Å; Q128-K134 PolarHBondContact O-N 2.61Å; Q128-Y136 VanDerWaalsContact OE1-CE2 3.25Å
129	L	94.5	Very high	93.7	Very high	30 Å²	30	77 Å²	77	16%	0.157	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-54.8	177.2	-178.2	64.4	0	0	0	112	V125 A126 Q127 G133 K134 A135 V145 T146	V125-L129 PolarHBondContact O-N 2.94Å; A126-L129 PolarHBondContact O-N 3.44Å; Q127-L129 VanDerWaalsContact C-N 3.35Å; L129-G133 WeakPolarHBondContact O-CA 3.47Å; L129-G133 PolarHBondContact O-N 3.49Å; L129-K134 WeakPolarHBondContact CA-O 3.36Å; L129-K134 PolarHBondContact N-O 3.44Å; L129-A135 HydrophobicContact CD1-CB 3.95Å; L129-V145 HydrophobicContact CB-CG1 4.39Å; L129-V145 HydrophobicContact CD2-CG1 3.66Å; L129-T146 VanDerWaalsContact CD2-OG1 3.23Å; L129-T146 WeakPolarHBondContact CD2-OG1 3.46Å
130	Y	92.3	Very high	93.5	Very high	162 Å²	162	83.1 Å²	83.1	64%	0.635	40%	0.395	S	S	*	.	H	α-helix	trans	-77.2	-27.8	-171	-69.4	-63.7	0	0	0	114.2	A126	A126-Y130 HydrophobicContact CB-CD2 4.17Å; A126-Y130 HydrophobicContact CB-CE2 4.16Å; A126-Y130 WeakPolarHBondContact O-CD2 3.4Å; A126-Y130 PolarHBondContact O-N 3.35Å
131	R	95	Very high	93.1	Very high	188 Å²	188	79.6 Å²	79.6	71%	0.709	39%	0.393	S	S	*	.	H	α-helix	trans	-93	-33.7	178.4	-66.1	-174.4	172.7	171.4	-2	113.6	Q127	Q127-R131 VanDerWaalsContact O-CB 3.27Å; Q127-R131 WeakPolarHBondContact O-CB 3.33Å; Q127-R131 PolarHBondContact O-N 3.47Å
132	H	94.1	Very high	93	Very high	129 Å²	129	84.5 Å²	84.5	60%	0.597	41%	0.414	S	S	*	.	H	α-helix	trans	-116.1	-5.2	-171.9	-51.6	88.6	0	0	0	113.3	Q128 K134	Q128-H132 WeakPolarHBondContact O-CA 3.48Å; Q128-H132 VanDerWaalsContact O-CB 3.3Å; Q128-H132 WeakPolarHBondContact O-CB 3.45Å; Q128-H132 PolarHBondContact O-N 3.26Å; H132-K134 HydrophobicContact CB-CD 4.49Å; H132-K134 HydrophobicContact CB-CG 4.21Å; H132-K134 PolarHBondContact O-N 2.8Å
133	G	90.6	Very high	92.9	Very high	64 Å²	64	85.4 Å²	85.4	66%	0.66	42%	0.42	S	S	*	.			trans	67.8	17.6	-177.6	0	0	0	0	0	113.9	Q128 L129	Q128-G133 PolarHBondContact O-N 3.04Å; L129-G133 WeakPolarHBondContact O-CA 3.47Å; L129-G133 PolarHBondContact O-N 3.49Å
134	K	89	Confident	92.8	Very high	115 Å²	115	80.1 Å²	80.1	50%	0.5	40%	0.397	S	S	.	.			trans	-101.9	121.4	-175.3	-62.8	-172.7	-177.1	179.6	0	111.2	Q128 L129 H132 Y136	Q128-K134 PolarHBondContact O-N 2.61Å; L129-K134 WeakPolarHBondContact CA-O 3.36Å; L129-K134 PolarHBondContact N-O 3.44Å; H132-K134 HydrophobicContact CB-CD 4.49Å; H132-K134 HydrophobicContact CB-CG 4.21Å; H132-K134 PolarHBondContact O-N 2.8Å; K134-Y136 HydrophobicContact CB-CE2 4.04Å; K134-Y136 WeakPolarHBondContact CD-OH 3.28Å
135	A	90.1	Very high	92.8	Very high	33 Å²	33	76.9 Å²	76.9	27%	0.273	38%	0.376	S	S	.	.			trans	-113.3	134.2	171.5	0	0	0	0	0	109.9	L129 F138	L129-A135 HydrophobicContact CD1-CB 3.95Å; A135-F138 HydrophobicContact CB-CE1 3.72Å; A135-F138 HydrophobicContact CB-CE2 4.43Å; A135-F138 HydrophobicContact CB-CZ 3.59Å
136	Y	87.4	Confident	92.9	Very high	145 Å²	145	77.4 Å²	77.4	57%	0.569	38%	0.38	S	S	*	.			trans	-114.9	-11.7	-179.5	-60.8	-79	0	0	0	113.5	Q128 K134	Q128-Y136 VanDerWaalsContact OE1-CE2 3.25Å; K134-Y136 HydrophobicContact CB-CE2 4.04Å; K134-Y136 WeakPolarHBondContact CD-OH 3.28Å
137	R	92.4	Very high	92.9	Very high	80 Å²	80	78.9 Å²	78.9	30%	0.302	39%	0.388	S	S	.	.			trans	-133.6	136.7	-179.2	-66.7	-171	-171.1	-173.3	3.5	108.8	V70 Y72 A144	V70-R137 PolarHBondContact O-NH1 2.93Å; Y72-R137 VanDerWaalsContact CD1-NH1 3.33Å; R137-A144 HydrophobicContact CB-CB 3.66Å; R137-A144 WeakPolarHBondContact O-CB 3.38Å; R137-A144 PolarHBondContact O-N 3.33Å
138	F	93	Very high	92.9	Very high	79 Å²	79	75.5 Å²	75.5	35%	0.346	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146	-175.7	-61.2	-86.7	0	0	0	111.7	S69 A135 F142	S69-F138 WeakPolarHBondContact CB-O 3.13Å; S69-F138 PolarHBondContact N-O 2.95Å; S69-F138 PolarHBondContact OG-O 3.03Å; A135-F138 HydrophobicContact CB-CE1 3.72Å; A135-F138 HydrophobicContact CB-CE2 4.43Å; A135-F138 HydrophobicContact CB-CZ 3.59Å; F138-F142 CarbonylContact C-O 3.53Å; F138-F142 WeakPolarHBondContact CA-O 3.18Å
139	I	92.9	Very high	93.1	Very high	14 Å²	14	74.3 Å²	74.3	7%	0.072	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.8	170.6	-65.4	173.6	0	0	0	106.3	T67 G141 F142 A144 M148	T67-I139 CarbonylContact O-C 3.51Å; T67-I139 WeakPolarHBondContact O-CA 3.32Å; I139-G141 PolarHBondContact O-N 3.27Å; I139-F142 PolarHBondContact N-O 3Å; I139-F142 PolarHBondContact O-N 3.35Å; I139-A144 HydrophobicContact CD1-CB 3.88Å; I139-A144 HydrophobicContact CG1-CB 3.79Å; I139-M148 HydrophobicContact CD1-CE 3.48Å; I139-M148 VanDerWaalsContact CD1-CE 3.48Å; I139-M148 HydrophobicContact CD1-CG 4.4Å
140	F	92.8	Very high	93.1	Very high	150 Å²	150	78.4 Å²	78.4	66%	0.658	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	43.8	-177.4	-60.3	-66.8	0	0	0	113.4	T67 V68 F142	T67-F140 HydrophobicContact CG2-CD1 3.97Å; T67-F140 HydrophobicContact CG2-CE1 4.13Å; T67-F140 PolarHBondContact O-N 3.08Å; V68-F140 HydrophobicContact CG2-CE1 4.48Å; V68-F140 HydrophobicContact CG2-CZ 4.25Å; F140-F142 VanDerWaalsContact C-N 3.26Å; F140-F142 WeakPolarHBondContact O-CD2 3.43Å; F140-F142 PolarHBondContact O-N 3.13Å
141	G	90.1	Very high	93.3	Very high	63 Å²	63	72.8 Å²	72.8	65%	0.649	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-7.4	179	0	0	0	0	0	115.6	I139	I139-G141 PolarHBondContact O-N 3.27Å
142	F	93.1	Very high	93.4	Very high	148 Å²	148	64.3 Å²	64.3	65%	0.649	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	154.2	172.5	-64.1	-80.5	0	0	0	111.2	F138 I139 F140 A144 V147	F138-F142 CarbonylContact C-O 3.53Å; F138-F142 WeakPolarHBondContact CA-O 3.18Å; I139-F142 PolarHBondContact N-O 3Å; I139-F142 PolarHBondContact O-N 3.35Å; F140-F142 VanDerWaalsContact C-N 3.26Å; F140-F142 WeakPolarHBondContact O-CD2 3.43Å; F140-F142 PolarHBondContact O-N 3.13Å; F142-A144 PolarHBondContact O-N 3.1Å; F142-V147 HydrophobicContact CB-CG2 3.87Å
143	S	94.3	Very high	93.6	Very high	19 Å²	19	61.9 Å²	61.9	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	122.3	174.7	-169.8	0	0	0	0	110.5	V145 T146 V147	S143-V145 PolarHBondContact O-N 3.05Å; S143-V145 WeakPolarHBondContact OG-CG1 3.45Å; S143-T146 PolarHBondContact O-N 2.89Å; S143-T146 VanDerWaalsContact O-N 3.1Å; S143-V147 PolarHBondContact O-N 2.76Å
144	A	94.5	Very high	93.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.3	-39.5	-175.5	0	0	0	0	0	111.7	Y72 R137 I139 F142 T146 V147 M148	Y72-A144 HydrophobicContact CE2-CB 4.3Å; R137-A144 HydrophobicContact CB-CB 3.66Å; R137-A144 WeakPolarHBondContact O-CB 3.38Å; R137-A144 PolarHBondContact O-N 3.33Å; I139-A144 HydrophobicContact CD1-CB 3.88Å; I139-A144 HydrophobicContact CG1-CB 3.79Å; F142-A144 PolarHBondContact O-N 3.1Å; A144-T146 VanDerWaalsContact C-N 3.31Å; A144-T146 PolarHBondContact O-N 3.43Å; A144-V147 PolarHBondContact O-N 2.81Å; A144-M148 VanDerWaalsContact O-CB 3.29Å; A144-M148 WeakPolarHBondContact O-CB 3.5Å; A144-M148 WeakPolarHBondContact O-CG 3.4Å; A144-M148 PolarHBondContact O-N 3.4Å
145	V	95.7	Very high	94.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-38	-180	65.5	0	0	0	0	112.3	Y72 M122 V125 A126 L129 S143 Y149	Y72-V145 PolarHBondContact OH-N 3Å; M122-V145 HydrophobicContact CB-CG2 4.04Å; V125-V145 HydrophobicContact CB-CG2 4.3Å; V125-V145 HydrophobicContact CG1-CB 4.01Å; V125-V145 HydrophobicContact CG1-CG1 4.13Å; V125-V145 HydrophobicContact CG1-CG2 4.33Å; A126-V145 HydrophobicContact CB-CG2 3.92Å; L129-V145 HydrophobicContact CB-CG1 4.39Å; L129-V145 HydrophobicContact CD2-CG1 3.66Å; S143-V145 PolarHBondContact O-N 3.05Å; S143-V145 WeakPolarHBondContact OG-CG1 3.45Å; V145-Y149 HydrophobicContact CG2-CD2 3.72Å; V145-Y149 HydrophobicContact CG2-CE2 3.69Å; V145-Y149 VanDerWaalsContact O-CD2 3.31Å; V145-Y149 WeakPolarHBondContact O-CD2 3.39Å; V145-Y149 PolarHBondContact O-N 3.39Å
146	T	94.9	Very high	94.7	Very high	45 Å²	45	58.6 Å²	58.6	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-47	178.4	-56.2	0	0	0	0	111	L129 S143 A144 M148 Y149 L150	L129-T146 VanDerWaalsContact CD2-OG1 3.23Å; L129-T146 WeakPolarHBondContact CD2-OG1 3.46Å; S143-T146 PolarHBondContact O-N 2.89Å; S143-T146 VanDerWaalsContact O-N 3.1Å; A144-T146 VanDerWaalsContact C-N 3.31Å; A144-T146 PolarHBondContact O-N 3.43Å; T146-M148 VanDerWaalsContact C-N 3.28Å; T146-M148 PolarHBondContact O-N 2.86Å; T146-Y149 PolarHBondContact O-N 3.16Å; T146-L150 WeakPolarHBondContact O-CG 3.3Å; T146-L150 PolarHBondContact O-N 2.65Å
147	V	95.6	Very high	95.3	Very high	39 Å²	39	57.1 Å²	57.1	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-43.6	177	179.7	0	0	0	0	110.2	F142 S143 A144 L150 I151	F142-V147 HydrophobicContact CB-CG2 3.87Å; S143-V147 PolarHBondContact O-N 2.76Å; A144-V147 PolarHBondContact O-N 2.81Å; V147-L150 WeakPolarHBondContact O-CB 3.41Å; V147-L150 PolarHBondContact O-N 3.33Å; V147-I151 HydrophobicContact CG1-CD1 4.05Å; V147-I151 WeakPolarHBondContact O-CG1 3.23Å; V147-I151 PolarHBondContact O-N 3.12Å; V147-I151 VanDerWaalsContact O-N 3.07Å
148	M	95.6	Very high	95.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-39.5	-178	-74.1	-62	171.4	0	0	114	Y72 W74 M122 I139 A144 T146 L150 I151 M152	Y72-M148 HydrophobicContact CD2-CG 3.98Å; Y72-M148 HydrophobicContact CE2-CB 4.34Å; Y72-M148 HydrophobicContact CE2-CG 3.85Å; W74-M148 HydrophobicContact CZ2-SD 3.89Å; M122-M148 HydrophobicContact CE-CB 4.08Å; M122-M148 HydrophobicContact SD-CB 3.49Å; M122-M148 WeakPolarHBondContact SD-CB 3.28Å; M122-M148 HydrophobicContact SD-CG 4.33Å; I139-M148 HydrophobicContact CD1-CE 3.48Å; I139-M148 VanDerWaalsContact CD1-CE 3.48Å; I139-M148 HydrophobicContact CD1-CG 4.4Å; A144-M148 VanDerWaalsContact O-CB 3.29Å; A144-M148 WeakPolarHBondContact O-CB 3.5Å; A144-M148 WeakPolarHBondContact O-CG 3.4Å; A144-M148 PolarHBondContact O-N 3.4Å; T146-M148 VanDerWaalsContact C-N 3.28Å; T146-M148 PolarHBondContact O-N 2.86Å; M148-L150 VanDerWaalsContact C-N 3.28Å; M148-L150 PolarHBondContact O-N 3.18Å; M148-I151 PolarHBondContact O-N 3.34Å; M148-I151 HydrophobicContact SD-CD1 4.21Å; M148-M152 WeakPolarHBondContact O-CB 3.44Å; M148-M152 PolarHBondContact O-N 3.27Å
149	Y	96.4	Very high	95.8	Very high	56 Å²	56	50.1 Å²	50.1	22%	0.22	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-36.3	173.1	-92.2	-66	0	0	0	112.2	G119 M122 F123 A126 V145 T146 M152 V153	G119-Y149 PolarHBondContact O-OH 3.29Å; M122-Y149 HydrophobicContact CB-CD2 4.49Å; M122-Y149 HydrophobicContact CB-CE2 3.68Å; M122-Y149 HydrophobicContact CE-CD1 4.39Å; M122-Y149 HydrophobicContact CE-CD2 4.46Å; M122-Y149 HydrophobicContact CE-CE1 4.39Å; M122-Y149 HydrophobicContact CE-CE2 4.46Å; M122-Y149 HydrophobicContact CE-CG 4.43Å; F123-Y149 VanDerWaalsContact CA-OH 3.31Å; F123-Y149 WeakPolarHBondContact CA-OH 3.43Å; F123-Y149 PolarHBondContact N-OH 3.42Å; A126-Y149 HydrophobicContact CB-CD2 4.44Å; A126-Y149 HydrophobicContact CB-CE2 3.77Å; V145-Y149 HydrophobicContact CG2-CD2 3.72Å; V145-Y149 HydrophobicContact CG2-CE2 3.69Å; V145-Y149 VanDerWaalsContact O-CD2 3.31Å; V145-Y149 WeakPolarHBondContact O-CD2 3.39Å; V145-Y149 PolarHBondContact O-N 3.39Å; T146-Y149 PolarHBondContact O-N 3.16Å; Y149-M152 HydrophobicContact CD1-SD 4.41Å; Y149-M152 HydrophobicContact CE1-SD 4.45Å; Y149-M152 PolarHBondContact O-N 2.8Å; Y149-V153 WeakPolarHBondContact O-CG2 3.48Å; Y149-V153 PolarHBondContact O-N 2.74Å
150	L	96.4	Very high	96	Very high	116 Å²	116	52.2 Å²	52.2	61%	0.607	29%	0.292	S	S	*	.	H	α-helix	trans	-63.9	-48.7	175.1	-69.1	172.9	0	0	0	111.4	T146 V147 M148 M152 V153 V154	T146-L150 WeakPolarHBondContact O-CG 3.3Å; T146-L150 PolarHBondContact O-N 2.65Å; V147-L150 WeakPolarHBondContact O-CB 3.41Å; V147-L150 PolarHBondContact O-N 3.33Å; M148-L150 VanDerWaalsContact C-N 3.28Å; M148-L150 PolarHBondContact O-N 3.18Å; L150-M152 VanDerWaalsContact C-N 3.27Å; L150-M152 PolarHBondContact O-N 3.36Å; L150-V153 PolarHBondContact O-N 3.35Å; L150-V154 WeakPolarHBondContact O-CG2 3.1Å; L150-V154 PolarHBondContact O-N 3.32Å; L150-V154 VanDerWaalsContact O-N 3.15Å
151	I	95.8	Very high	96.3	Very high	45 Å²	45	51.2 Å²	51.2	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-58.1	-43.4	175.5	-67.4	170.3	0	0	0	110.3	I47 V147 M148 V154 A155	I47-I151 HydrophobicContact CG2-CG2 4.18Å; V147-I151 HydrophobicContact CG1-CD1 4.05Å; V147-I151 WeakPolarHBondContact O-CG1 3.23Å; V147-I151 PolarHBondContact O-N 3.12Å; V147-I151 VanDerWaalsContact O-N 3.07Å; M148-I151 PolarHBondContact O-N 3.34Å; M148-I151 HydrophobicContact SD-CD1 4.21Å; I151-V154 PolarHBondContact O-N 3.07Å; I151-A155 VanDerWaalsContact O-CB 3.32Å; I151-A155 WeakPolarHBondContact O-CB 3.48Å; I151-A155 PolarHBondContact O-N 3.33Å
152	M	96.9	Very high	96.7	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-45.8	179.8	-179.4	167.2	-71.3	0	0	112.6	W74 L115 G119 M122 M148 Y149 L150 V154 A155 V156	W74-M152 HydrophobicContact CD2-CE 3.84Å; W74-M152 HydrophobicContact CE3-CE 4.21Å; W74-M152 HydrophobicContact CG-CE 4.33Å; W74-M152 HydrophobicContact CH2-CE 4.27Å; W74-M152 HydrophobicContact CZ2-CE 3.88Å; W74-M152 HydrophobicContact CZ3-CE 4.42Å; L115-M152 HydrophobicContact CB-CG 4.47Å; L115-M152 HydrophobicContact CD2-CE 4.2Å; L115-M152 HydrophobicContact CD2-CG 4.12Å; L115-M152 VanDerWaalsContact O-SD 3.38Å; G119-M152 VanDerWaalsContact CA-SD 3.58Å; G119-M152 PolarHBondContact N-SD 2.85Å; G119-M152 VanDerWaalsContact N-SD 3.45Å; M122-M152 HydrophobicContact CE-CE 3.33Å; M122-M152 HydrophobicContact CE-SD 3.79Å; M148-M152 WeakPolarHBondContact O-CB 3.44Å; M148-M152 PolarHBondContact O-N 3.27Å; Y149-M152 HydrophobicContact CD1-SD 4.41Å; Y149-M152 HydrophobicContact CE1-SD 4.45Å; Y149-M152 PolarHBondContact O-N 2.8Å; L150-M152 VanDerWaalsContact C-N 3.27Å; L150-M152 PolarHBondContact O-N 3.36Å; M152-V154 VanDerWaalsContact C-N 3.33Å; M152-V154 PolarHBondContact O-N 3.39Å; M152-A155 PolarHBondContact O-N 3.04Å; M152-V156 HydrophobicContact CG-CG2 4.46Å; M152-V156 VanDerWaalsContact O-CG2 3.31Å; M152-V156 WeakPolarHBondContact O-CG2 3.33Å; M152-V156 PolarHBondContact O-N 3.48Å
153	V	97.6	Very high	96.9	Very high	78 Å²	78	43.5 Å²	43.5	47%	0.473	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-44.3	177.6	169.5	0	0	0	0	110.8	Y149 L150 V156 Q157	Y149-V153 WeakPolarHBondContact O-CG2 3.48Å; Y149-V153 PolarHBondContact O-N 2.74Å; L150-V153 PolarHBondContact O-N 3.35Å; V153-V156 PolarHBondContact O-N 2.94Å; V153-Q157 WeakPolarHBondContact O-CG 3.43Å; V153-Q157 PolarHBondContact O-N 3.23Å; V153-Q157 VanDerWaalsContact O-N 3.09Å
154	V	98	Very high	97	Very high	70 Å²	70	47.6 Å²	47.6	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-62.1	-46.3	175.7	175.6	0	0	0	0	110.6	I47 L150 I151 M152 V156 Q157 V158	I47-V154 HydrophobicContact CD1-CG1 4.1Å; L150-V154 WeakPolarHBondContact O-CG2 3.1Å; L150-V154 PolarHBondContact O-N 3.32Å; L150-V154 VanDerWaalsContact O-N 3.15Å; I151-V154 PolarHBondContact O-N 3.07Å; M152-V154 VanDerWaalsContact C-N 3.33Å; M152-V154 PolarHBondContact O-N 3.39Å; V154-V156 PolarHBondContact O-N 3.28Å; V154-Q157 PolarHBondContact O-N 2.89Å; V154-V158 HydrophobicContact CG1-CG2 4.39Å; V154-V158 WeakPolarHBondContact O-CG2 3.2Å; V154-V158 PolarHBondContact O-N 3.14Å
155	A	98	Very high	97.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-43	178.9	0	0	0	0	0	112.2	I47 L115 I151 M152 Q157 V158 H159	I47-A155 HydrophobicContact CD1-CB 4.37Å; I47-A155 HydrophobicContact CG2-CB 4.4Å; L115-A155 HydrophobicContact CD1-CB 3.79Å; L115-A155 HydrophobicContact CD2-CB 4.09Å; I151-A155 VanDerWaalsContact O-CB 3.32Å; I151-A155 WeakPolarHBondContact O-CB 3.48Å; I151-A155 PolarHBondContact O-N 3.33Å; M152-A155 PolarHBondContact O-N 3.04Å; A155-Q157 VanDerWaalsContact C-N 3.33Å; A155-Q157 PolarHBondContact O-N 3.4Å; A155-V158 PolarHBondContact O-N 3.37Å; A155-H159 WeakPolarHBondContact O-CB 3.2Å; A155-H159 PolarHBondContact O-CD2 2.98Å; A155-H159 PolarHBondContact O-N 2.94Å
156	V	98.1	Very high	97.3	Very high	73 Å²	73	49.9 Å²	49.9	44%	0.442	26%	0.256	S	S	.	.	H	α-helix	trans	-59.7	-44.5	175.6	168.6	0	0	0	0	110.7	L115 M152 V153 V154 H159 A160	L115-V156 HydrophobicContact CB-CG2 4.07Å; L115-V156 HydrophobicContact CD1-CG2 3.87Å; M152-V156 HydrophobicContact CG-CG2 4.46Å; M152-V156 VanDerWaalsContact O-CG2 3.31Å; M152-V156 WeakPolarHBondContact O-CG2 3.33Å; M152-V156 PolarHBondContact O-N 3.48Å; V153-V156 PolarHBondContact O-N 2.94Å; V154-V156 PolarHBondContact O-N 3.28Å; V156-H159 PolarHBondContact O-N 2.89Å; V156-A160 VanDerWaalsContact O-CB 3.27Å; V156-A160 WeakPolarHBondContact O-CB 3.35Å; V156-A160 PolarHBondContact O-N 3.23Å
157	Q	98.3	Very high	97.4	Very high	114 Å²	114	52 Å²	52	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-45.4	177.4	-70.7	177.3	9	0	0	111.8	V153 V154 A155 H159 A160 W161	V153-Q157 WeakPolarHBondContact O-CG 3.43Å; V153-Q157 PolarHBondContact O-N 3.23Å; V153-Q157 VanDerWaalsContact O-N 3.09Å; V154-Q157 PolarHBondContact O-N 2.89Å; A155-Q157 VanDerWaalsContact C-N 3.33Å; A155-Q157 PolarHBondContact O-N 3.4Å; Q157-H159 PolarHBondContact O-N 3.05Å; Q157-A160 PolarHBondContact O-N 3.36Å; Q157-W161 PolarHBondContact O-N 3.06Å
158	V	98.3	Very high	97.3	Very high	11 Å²	11	53.9 Å²	53.9	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-50.5	177.2	170.5	0	0	0	0	110.4	L40 V43 H44 I47 V154 A155 W161 Q162	L40-V158 HydrophobicContact CD2-CG1 4.32Å; V43-V158 HydrophobicContact CB-CG2 4.41Å; V43-V158 HydrophobicContact CG1-CG2 3.64Å; H44-V158 HydrophobicContact CB-CG1 4.1Å; I47-V158 HydrophobicContact CD1-CG2 4.15Å; V154-V158 HydrophobicContact CG1-CG2 4.39Å; V154-V158 WeakPolarHBondContact O-CG2 3.2Å; V154-V158 PolarHBondContact O-N 3.14Å; A155-V158 PolarHBondContact O-N 3.37Å; V158-W161 PolarHBondContact O-N 3.23Å; V158-Q162 VanDerWaalsContact O-CB 3.28Å; V158-Q162 WeakPolarHBondContact O-CB 3.29Å; V158-Q162 PolarHBondContact O-N 3.34Å
159	H	98.3	Very high	97.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-39.1	-178.7	-70.8	-46.1	0	0	0	113	H44 Y78 V112 A155 V156 Q157 Q162 I163	H44-H159 AromaticContact CD2-CE1 3.58Å; H44-H159 AromaticContact CE1-CE1 3.54Å; H44-H159 AromaticContact CG-CE1 3.68Å; H44-H159 AromaticContact ND1-CE1 3.66Å; H44-H159 AromaticContact NE2-CE1 3.51Å; Y78-H159 AromaticContact CE2-NE2 3.62Å; Y78-H159 AromaticContact CZ-NE2 3.76Å; Y78-H159 PolarHBondContact OH-NE2 3.33Å; Y78-H159 VanDerWaalsContact OH-NE2 3.1Å; V112-H159 HydrophobicContact CG2-CB 4.25Å; A155-H159 WeakPolarHBondContact O-CB 3.2Å; A155-H159 PolarHBondContact O-CD2 2.98Å; A155-H159 PolarHBondContact O-N 2.94Å; V156-H159 PolarHBondContact O-N 2.89Å; Q157-H159 PolarHBondContact O-N 3.05Å; H159-Q162 PolarHBondContact ND1-OE1 3.17Å; H159-Q162 PolarHBondContact O-N 3.46Å; H159-I163 WeakPolarHBondContact O-CB 3.42Å; H159-I163 WeakPolarHBondContact O-CG1 3.38Å; H159-I163 PolarHBondContact O-N 3.4Å
160	A	98.1	Very high	97.2	Very high	57 Å²	57	52.5 Å²	52.5	47%	0.471	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-48.6	176.3	0	0	0	0	0	111.4	V156 Q157 Y164	V156-A160 VanDerWaalsContact O-CB 3.27Å; V156-A160 WeakPolarHBondContact O-CB 3.35Å; V156-A160 PolarHBondContact O-N 3.23Å; Q157-A160 PolarHBondContact O-N 3.36Å; A160-Y164 VanDerWaalsContact O-CB 3.32Å; A160-Y164 WeakPolarHBondContact O-CB 3.44Å; A160-Y164 PolarHBondContact O-N 3.42Å
161	W	98.3	Very high	97	Very high	129 Å²	129	50.2 Å²	50.2	49%	0.489	25%	0.251	S	S	.	.	H	α-helix	trans	-66.9	-38.2	177	-76.5	115.2	0	0	0	112.5	L40 Q157 V158 Y164 Y165	L40-W161 HydrophobicContact CD1-CB 3.72Å; L40-W161 HydrophobicContact CD2-CB 4.37Å; Q157-W161 PolarHBondContact O-N 3.06Å; V158-W161 PolarHBondContact O-N 3.23Å; W161-Y164 AromaticContact CE3-CD1 3.85Å; W161-Y164 HydrophobicContact CE3-CD1 3.85Å; W161-Y164 HydrophobicContact CE3-CE1 4.34Å; W161-Y164 HydrophobicContact CE3-CG 4.46Å; W161-Y164 AromaticContact CZ3-CD1 3.9Å; W161-Y164 HydrophobicContact CZ3-CD1 3.9Å; W161-Y164 AromaticContact CZ3-CE1 3.94Å; W161-Y164 HydrophobicContact CZ3-CE1 3.94Å; W161-Y164 PolarHBondContact O-N 3.29Å; W161-Y165 HydrophobicContact CB-CD2 4.32Å; W161-Y165 HydrophobicContact CB-CE2 4.06Å; W161-Y165 HydrophobicContact CD2-CE2 4.35Å; W161-Y165 HydrophobicContact CE3-CE1 4.31Å; W161-Y165 AromaticContact CE3-CE2 3.78Å; W161-Y165 HydrophobicContact CE3-CE2 3.78Å; W161-Y165 AromaticContact CE3-CZ 3.63Å; W161-Y165 HydrophobicContact CZ3-CE1 4.49Å; W161-Y165 WeakPolarHBondContact O-CD2 3.46Å; W161-Y165 PolarHBondContact O-N 2.96Å
162	Q	97.7	Very high	96.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-49.9	179	-162.2	-173.3	4.7	0	0	110.3	L40 N41 V158 H159 Y164 Y165 M166	L40-Q162 HydrophobicContact CB-CB 4.43Å; L40-Q162 HydrophobicContact CB-CG 4.41Å; L40-Q162 HydrophobicContact CD1-CB 4.26Å; N41-Q162 PolarHBondContact OD1-NE2 3.46Å; V158-Q162 VanDerWaalsContact O-CB 3.28Å; V158-Q162 WeakPolarHBondContact O-CB 3.29Å; V158-Q162 PolarHBondContact O-N 3.34Å; H159-Q162 PolarHBondContact ND1-OE1 3.17Å; H159-Q162 PolarHBondContact O-N 3.46Å; Q162-Y164 VanDerWaalsContact C-N 3.33Å; Q162-Y164 PolarHBondContact O-N 3.03Å; Q162-Y165 PolarHBondContact O-N 2.86Å; Q162-M166 HydrophobicContact CB-CE 4.47Å; Q162-M166 HydrophobicContact CG-CE 3.9Å; Q162-M166 HydrophobicContact CG-SD 4.3Å; Q162-M166 VanDerWaalsContact O-CB 3.3Å; Q162-M166 WeakPolarHBondContact O-CB 3.34Å; Q162-M166 WeakPolarHBondContact O-CG 3.28Å; Q162-M166 PolarHBondContact O-N 3.15Å
163	I	97.8	Very high	96.6	Very high	48 Å²	48	48.7 Å²	48.7	25%	0.246	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42.9	177.1	-67.8	168.8	0	0	0	110.8	A107 V112 H159 M166 K167	A107-I163 HydrophobicContact CB-CD1 4.17Å; A107-I163 HydrophobicContact CB-CG1 4.1Å; V112-I163 HydrophobicContact CG2-CD1 3.77Å; H159-I163 WeakPolarHBondContact O-CB 3.42Å; H159-I163 WeakPolarHBondContact O-CG1 3.38Å; H159-I163 PolarHBondContact O-N 3.4Å; I163-M166 HydrophobicContact CG1-CE 4.25Å; I163-M166 PolarHBondContact O-N 3.31Å; I163-K167 WeakPolarHBondContact O-CB 3.43Å; I163-K167 PolarHBondContact O-N 3.3Å
164	Y	97.8	Very high	96.2	Very high	105 Å²	105	50.1 Å²	50.1	41%	0.412	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-51	177.5	173.5	-99.6	0	0	0	112.6	A160 W161 Q162 K167 K168	A160-Y164 VanDerWaalsContact O-CB 3.32Å; A160-Y164 WeakPolarHBondContact O-CB 3.44Å; A160-Y164 PolarHBondContact O-N 3.42Å; W161-Y164 AromaticContact CE3-CD1 3.85Å; W161-Y164 HydrophobicContact CE3-CD1 3.85Å; W161-Y164 HydrophobicContact CE3-CE1 4.34Å; W161-Y164 HydrophobicContact CE3-CG 4.46Å; W161-Y164 AromaticContact CZ3-CD1 3.9Å; W161-Y164 HydrophobicContact CZ3-CD1 3.9Å; W161-Y164 AromaticContact CZ3-CE1 3.94Å; W161-Y164 HydrophobicContact CZ3-CE1 3.94Å; W161-Y164 PolarHBondContact O-N 3.29Å; Q162-Y164 VanDerWaalsContact C-N 3.33Å; Q162-Y164 PolarHBondContact O-N 3.03Å; Y164-K167 PolarHBondContact O-N 2.93Å; Y164-K168 HydrophobicContact CD1-CD 4.47Å; Y164-K168 HydrophobicContact CE1-CD 3.82Å; Y164-K168 PolarHBondContact O-N 3.24Å; Y164-K168 VanDerWaalsContact O-N 3.12Å; Y164-K168 WeakPolarHBondContact OH-CE 3.46Å; Y164-K168 PolarHBondContact OH-NZ 3.48Å
165	Y	97.5	Very high	95.6	Very high	49 Å²	49	50.3 Å²	50.3	19%	0.192	24%	0.243	C	C	.	.	H	α-helix	trans	-69.8	-36.7	-179.9	-66.8	-50.3	0	0	0	112.3	L33 E36 L40 W161 Q162 K167 K168 L169	L33-Y165 HydrophobicContact CD2-CD1 3.67Å; L33-Y165 HydrophobicContact CD2-CE1 4.41Å; L33-Y165 HydrophobicContact CD2-CG 4.43Å; E36-Y165 HydrophobicContact CB-CD2 3.94Å; E36-Y165 HydrophobicContact CB-CE2 4.03Å; E36-Y165 HydrophobicContact CB-CG 4.28Å; L40-Y165 HydrophobicContact CD1-CD2 3.61Å; L40-Y165 HydrophobicContact CD1-CE2 3.93Å; W161-Y165 HydrophobicContact CB-CD2 4.32Å; W161-Y165 HydrophobicContact CB-CE2 4.06Å; W161-Y165 HydrophobicContact CD2-CE2 4.35Å; W161-Y165 HydrophobicContact CE3-CE1 4.31Å; W161-Y165 AromaticContact CE3-CE2 3.78Å; W161-Y165 HydrophobicContact CE3-CE2 3.78Å; W161-Y165 AromaticContact CE3-CZ 3.63Å; W161-Y165 HydrophobicContact CZ3-CE1 4.49Å; W161-Y165 WeakPolarHBondContact O-CD2 3.46Å; W161-Y165 PolarHBondContact O-N 2.96Å; Q162-Y165 PolarHBondContact O-N 2.86Å; Y165-K167 VanDerWaalsContact C-N 3.33Å; Y165-K167 PolarHBondContact O-N 3.38Å; Y165-K168 PolarHBondContact O-N 3.5Å; Y165-L169 VanDerWaalsContact O-CB 3.29Å; Y165-L169 WeakPolarHBondContact O-CB 3.13Å; Y165-L169 PolarHBondContact O-N 3.05Å
166	M	97.1	Very high	95	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-39.6	173.4	-72.7	-171.5	-58.8	0	0	111.6	V37 L100 M104 Q162 I163 L169 L170	V37-M166 HydrophobicContact CG1-CG 4.09Å; V37-M166 HydrophobicContact CG2-CG 4.02Å; L100-M166 HydrophobicContact CD1-CB 3.86Å; L100-M166 HydrophobicContact CD1-CG 3.73Å; L100-M166 HydrophobicContact CD1-SD 3.98Å; M104-M166 HydrophobicContact CG-CB 3.82Å; M104-M166 HydrophobicContact CG-CE 3.97Å; M104-M166 HydrophobicContact CG-SD 4.36Å; M104-M166 HydrophobicContact SD-CB 3.95Å; Q162-M166 HydrophobicContact CB-CE 4.47Å; Q162-M166 HydrophobicContact CG-CE 3.9Å; Q162-M166 HydrophobicContact CG-SD 4.3Å; Q162-M166 VanDerWaalsContact O-CB 3.3Å; Q162-M166 WeakPolarHBondContact O-CB 3.34Å; Q162-M166 WeakPolarHBondContact O-CG 3.28Å; Q162-M166 PolarHBondContact O-N 3.15Å; I163-M166 HydrophobicContact CG1-CE 4.25Å; I163-M166 PolarHBondContact O-N 3.31Å; M166-L169 PolarHBondContact O-N 3.05Å; M166-L170 WeakPolarHBondContact O-CB 3.49Å; M166-L170 PolarHBondContact O-N 3.46Å
167	K	97.1	Very high	94.4	Very high	91 Å²	91	51.9 Å²	51.9	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-46.8	174.6	-177	62.5	177.1	73.7	0	111.9	M104 I163 Y164 Y165 L169 L170 D171	M104-K167 HydrophobicContact CE-CB 3.67Å; M104-K167 HydrophobicContact CE-CD 3.83Å; M104-K167 HydrophobicContact CE-CG 4.32Å; I163-K167 WeakPolarHBondContact O-CB 3.43Å; I163-K167 PolarHBondContact O-N 3.3Å; Y164-K167 PolarHBondContact O-N 2.93Å; Y165-K167 VanDerWaalsContact C-N 3.33Å; Y165-K167 PolarHBondContact O-N 3.38Å; K167-L169 VanDerWaalsContact C-N 3.28Å; K167-L169 PolarHBondContact O-N 2.77Å; K167-L170 WeakPolarHBondContact O-CB 2.84Å; K167-L170 PolarHBondContact O-N 3.36Å; K167-D171 IonicContact NZ-OD1 2.6Å; K167-D171 PolarHBondContact NZ-OD1 2.6Å; K167-D171 IonicContact NZ-OD2 2.74Å; K167-D171 PolarHBondContact NZ-OD2 3.49Å; K167-D171 VanDerWaalsContact O-CG 3.32Å; K167-D171 PolarHBondContact O-N 3.37Å
168	K	95.4	Very high	93.7	Very high	78 Å²	78	49.9 Å²	49.9	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-60.5	-39.1	175.7	-75.2	-172.3	160.9	-173.4	0	112.4	L33 Y164 Y165 S172	L33-K168 HydrophobicContact CD1-CB 3.84Å; L33-K168 HydrophobicContact CD2-CB 4.21Å; L33-K168 HydrophobicContact CD2-CD 4.31Å; Y164-K168 HydrophobicContact CD1-CD 4.47Å; Y164-K168 HydrophobicContact CE1-CD 3.82Å; Y164-K168 PolarHBondContact O-N 3.24Å; Y164-K168 VanDerWaalsContact O-N 3.12Å; Y164-K168 WeakPolarHBondContact OH-CE 3.46Å; Y164-K168 PolarHBondContact OH-NZ 3.48Å; Y165-K168 PolarHBondContact O-N 3.5Å; K168-S172 PolarHBondContact O-N 3.06Å
169	L	94.3	Very high	92.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-41.5	178.3	-172.2	62.5	0	0	0	111.3	S30 L33 K34 L92 L100 Y165 M166 K167 S172 W173	S30-L169 VanDerWaalsContact OG-CD1 3.3Å; S30-L169 WeakPolarHBondContact OG-CD1 3.45Å; L33-L169 HydrophobicContact CB-CD1 4.08Å; K34-L169 HydrophobicContact CG-CD1 4.02Å; K34-L169 HydrophobicContact CG-CD2 4.06Å; L92-L169 HydrophobicContact CD2-CD2 3.84Å; L100-L169 HydrophobicContact CD2-CB 4.28Å; L100-L169 HydrophobicContact CD2-CD2 4.34Å; L100-L169 HydrophobicContact CD2-CG 4.24Å; Y165-L169 VanDerWaalsContact O-CB 3.29Å; Y165-L169 WeakPolarHBondContact O-CB 3.13Å; Y165-L169 PolarHBondContact O-N 3.05Å; M166-L169 PolarHBondContact O-N 3.05Å; K167-L169 VanDerWaalsContact C-N 3.28Å; K167-L169 PolarHBondContact O-N 2.77Å; L169-S172 PolarHBondContact O-N 3.35Å; L169-W173 HydrophobicContact CD1-CD2 4.45Å; L169-W173 HydrophobicContact CD1-CZ2 3.67Å; L169-W173 HydrophobicContact CD2-CH2 3.69Å; L169-W173 HydrophobicContact CD2-CZ2 3.41Å; L169-W173 VanDerWaalsContact CD2-CZ2 3.41Å; L169-W173 HydrophobicContact CG-CD2 4.13Å; L169-W173 HydrophobicContact CG-CH2 4Å; L169-W173 HydrophobicContact CG-CZ2 3.44Å; L169-W173 VanDerWaalsContact CG-CZ2 3.44Å; L169-W173 PolarHBondContact O-N 3.23Å
170	L	95.1	Very high	91.9	Very high	27 Å²	27	60.5 Å²	60.5	14%	0.141	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-48.6	175.3	-179.9	63.8	0	0	0	111.2	I97 L100 V101 M104 M166 K167 S172 W173 F174	I97-L170 HydrophobicContact CG2-CD1 3.71Å; L100-L170 HydrophobicContact CD2-CB 3.79Å; L100-L170 HydrophobicContact CD2-CD1 4.23Å; V101-L170 HydrophobicContact CG2-CD1 3.71Å; V101-L170 HydrophobicContact CG2-CD2 3.91Å; V101-L170 HydrophobicContact CG2-CG 4.49Å; M104-L170 HydrophobicContact SD-CD2 4.06Å; M166-L170 WeakPolarHBondContact O-CB 3.49Å; M166-L170 PolarHBondContact O-N 3.46Å; K167-L170 WeakPolarHBondContact O-CB 2.84Å; K167-L170 PolarHBondContact O-N 3.36Å; L170-S172 VanDerWaalsContact C-N 3.34Å; L170-S172 PolarHBondContact O-N 3.27Å; L170-W173 PolarHBondContact O-N 3.1Å; L170-F174 WeakPolarHBondContact O-CB 3.4Å; L170-F174 PolarHBondContact O-N 3.01Å
171	D	92.8	Very high	91	Very high	68 Å²	68	66 Å²	66	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-46	178.1	-65.1	-22.9	0	0	0	110.8	K167 W173 F174 D175	K167-D171 IonicContact NZ-OD1 2.6Å; K167-D171 PolarHBondContact NZ-OD1 2.6Å; K167-D171 IonicContact NZ-OD2 2.74Å; K167-D171 PolarHBondContact NZ-OD2 3.49Å; K167-D171 VanDerWaalsContact O-CG 3.32Å; K167-D171 PolarHBondContact O-N 3.37Å; D171-W173 VanDerWaalsContact C-N 3.33Å; D171-W173 PolarHBondContact O-N 3.1Å; D171-F174 PolarHBondContact O-N 2.74Å; D171-D175 VanDerWaalsContact O-CG 3.32Å; D171-D175 PolarHBondContact O-N 3.18Å
172	S	91	Very high	89.9	Confident	12 Å²	12	68.4 Å²	68.4	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-38.7	176.9	-178.9	0	0	0	0	113.3	R26 K168 L169 L170 A176	R26-S172 PolarHBondContact NE-O 2.8Å; K168-S172 PolarHBondContact O-N 3.06Å; L169-S172 PolarHBondContact O-N 3.35Å; L170-S172 VanDerWaalsContact C-N 3.34Å; L170-S172 PolarHBondContact O-N 3.27Å; S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.04Å
173	W	91.8	Very high	88.1	Confident	11 Å²	11	77.5 Å²	77.5	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-76	-38.1	179.6	-70.1	-6.7	0	0	0	112.3	S30 K34 S91 L92 N95 I97 L100 L169 L170 D171 A176 T177	S30-W173 PolarHBondContact OG-NE1 2.93Å; K34-W173 HydrophobicContact CG-CZ2 4.35Å; S91-W173 WeakPolarHBondContact O-CH2 3.36Å; L92-W173 HydrophobicContact CD2-CH2 4.42Å; N95-W173 HydrophobicContact CB-CD2 3.82Å; N95-W173 HydrophobicContact CB-CE3 4.12Å; N95-W173 HydrophobicContact CB-CG 4.29Å; N95-W173 HydrophobicContact CB-CH2 4.4Å; N95-W173 HydrophobicContact CB-CZ2 4.1Å; N95-W173 HydrophobicContact CB-CZ3 4.38Å; N95-W173 WeakPolarHBondContact OD1-CZ2 3.29Å; I97-W173 HydrophobicContact CD1-CB 4.2Å; I97-W173 HydrophobicContact CG1-CB 4.04Å; I97-W173 HydrophobicContact CG1-CE3 4.13Å; L100-W173 HydrophobicContact CB-CZ3 3.98Å; L100-W173 HydrophobicContact CD2-CE3 3.73Å; L100-W173 HydrophobicContact CD2-CH2 4.15Å; L100-W173 HydrophobicContact CD2-CZ3 3.52Å; L100-W173 HydrophobicContact CG-CZ3 4.26Å; L169-W173 HydrophobicContact CD1-CD2 4.45Å; L169-W173 HydrophobicContact CD1-CZ2 3.67Å; L169-W173 HydrophobicContact CD2-CH2 3.69Å; L169-W173 HydrophobicContact CD2-CZ2 3.41Å; L169-W173 VanDerWaalsContact CD2-CZ2 3.41Å; L169-W173 HydrophobicContact CG-CD2 4.13Å; L169-W173 HydrophobicContact CG-CH2 4Å; L169-W173 HydrophobicContact CG-CZ2 3.44Å; L169-W173 VanDerWaalsContact CG-CZ2 3.44Å; L169-W173 PolarHBondContact O-N 3.23Å; L170-W173 PolarHBondContact O-N 3.1Å; D171-W173 VanDerWaalsContact C-N 3.33Å; D171-W173 PolarHBondContact O-N 3.1Å; W173-A176 PolarHBondContact O-N 3.42Å; W173-T177 PolarHBondContact O-N 3.34Å; W173-T177 VanDerWaalsContact O-N 3.1Å; W173-T177 PolarHBondContact O-OG1 3.39Å
174	F	89.4	Confident	87.6	Confident	108 Å²	108	79 Å²	79	47%	0.474	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-51.1	179.4	-171.9	-98.3	0	0	0	110.9	L170 D171 A176 T177 Q178	L170-F174 WeakPolarHBondContact O-CB 3.4Å; L170-F174 PolarHBondContact O-N 3.01Å; D171-F174 PolarHBondContact O-N 2.74Å; F174-A176 VanDerWaalsContact C-N 3.32Å; F174-A176 PolarHBondContact O-N 3.07Å; F174-T177 WeakPolarHBondContact O-CB 3.35Å; F174-T177 PolarHBondContact O-N 2.92Å; F174-T177 VanDerWaalsContact O-N 3.1Å; F174-Q178 HydrophobicContact CD1-CG 4.16Å; F174-Q178 HydrophobicContact CE1-CG 3.85Å; F174-Q178 HydrophobicContact CZ-CG 4.25Å; F174-Q178 WeakPolarHBondContact O-CG 3.45Å; F174-Q178 PolarHBondContact O-N 2.88Å
175	D	86.6	Confident	87	Confident	74 Å²	74	77.6 Å²	77.6	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-41	179.1	-68.7	-17.5	0	0	0	112.5	R26 D171 T177 Q178 E179	R26-D175 VanDerWaalsContact CZ-CB 3.46Å; R26-D175 IonicContact NH2-OD2 2.71Å; R26-D175 PolarHBondContact NH2-OD2 2.98Å; D171-D175 VanDerWaalsContact O-CG 3.32Å; D171-D175 PolarHBondContact O-N 3.18Å; D175-T177 PolarHBondContact O-N 3.48Å; D175-Q178 PolarHBondContact O-N 2.98Å; D175-E179 PolarHBondContact O-N 2.73Å
176	A	84.9	Confident	86.5	Confident	30 Å²	30	79.2 Å²	79.2	25%	0.248	37%	0.372	C	S	.	.	H	α-helix	trans	-62.2	-34.3	177.5	0	0	0	0	0	112.1	S172 W173 F174 K180	S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.04Å; W173-A176 PolarHBondContact O-N 3.42Å; F174-A176 VanDerWaalsContact C-N 3.32Å; F174-A176 PolarHBondContact O-N 3.07Å; A176-K180 WeakPolarHBondContact O-CG 3.45Å; A176-K180 PolarHBondContact O-N 3.22Å
177	T	84.8	Confident	85.8	Confident	76 Å²	76	83.9 Å²	83.9	47%	0.466	39%	0.394	S	S	.	.	H	α-helix	trans	-72.1	-40.2	176.6	-54	0	0	0	0	111	W173 F174 D175 K180 K181	W173-T177 PolarHBondContact O-N 3.34Å; W173-T177 VanDerWaalsContact O-N 3.1Å; W173-T177 PolarHBondContact O-OG1 3.39Å; F174-T177 WeakPolarHBondContact O-CB 3.35Å; F174-T177 PolarHBondContact O-N 2.92Å; F174-T177 VanDerWaalsContact O-N 3.1Å; D175-T177 PolarHBondContact O-N 3.48Å; T177-K180 PolarHBondContact O-N 3.16Å; T177-K181 PolarHBondContact O-N 3.4Å; T177-K181 VanDerWaalsContact O-N 3.16Å
178	Q	84.7	Confident	85.1	Confident	72 Å²	72	83.4 Å²	83.4	34%	0.336	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-41.9	176.7	-66.7	-60.5	-28.3	0	0	112.6	F174 D175 K180 K181 K182	F174-Q178 HydrophobicContact CD1-CG 4.16Å; F174-Q178 HydrophobicContact CE1-CG 3.85Å; F174-Q178 HydrophobicContact CZ-CG 4.25Å; F174-Q178 WeakPolarHBondContact O-CG 3.45Å; F174-Q178 PolarHBondContact O-N 2.88Å; D175-Q178 PolarHBondContact O-N 2.98Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.43Å; Q178-K181 PolarHBondContact O-N 3.4Å; Q178-K181 VanDerWaalsContact O-N 3.15Å; Q178-K182 WeakPolarHBondContact O-CG 3.4Å; Q178-K182 PolarHBondContact O-N 3.49Å; Q178-K182 VanDerWaalsContact O-N 3.1Å
179	E	80.2	Confident	84.4	Confident	89 Å²	89	83.8 Å²	83.8	42%	0.416	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-38.2	175.6	-77.7	177.3	-166.2	0	0	112.5	R26 D175 K181 K182 K183	R26-E179 IonicContact CZ-OE1 3.54Å; R26-E179 IonicContact NH1-OE1 3.98Å; R26-E179 PolarHBondContact NH1-OE1 3.37Å; R26-E179 IonicContact NH1-OE2 3.81Å; R26-E179 PolarHBondContact NH1-OE2 3.42Å; R26-E179 IonicContact NH2-OE1 2.77Å; D175-E179 PolarHBondContact O-N 2.73Å; E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 PolarHBondContact O-N 3.1Å; E179-K182 PolarHBondContact O-N 3.15Å; E179-K183 PolarHBondContact O-N 3.37Å
180	K	77.7	Confident	83.7	Confident	145 Å²	145	89.8 Å²	89.8	63%	0.63	43%	0.426	S	S	*	.	H	α-helix	trans	-66.2	-31	174.4	-78.1	-178.8	-179	-175.2	0	113	A176 T177 Q178	A176-K180 WeakPolarHBondContact O-CG 3.45Å; A176-K180 PolarHBondContact O-N 3.22Å; T177-K180 PolarHBondContact O-N 3.16Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.43Å
181	K	80.4	Confident	82.9	Confident	173 Å²	173	94.6 Å²	94.6	75%	0.752	45%	0.448	S	S	*	.	H	α-helix	trans	-77	-26.8	178	-168.8	179.6	179.3	-176.6	0	112.7	T177 Q178 E179	T177-K181 PolarHBondContact O-N 3.4Å; T177-K181 VanDerWaalsContact O-N 3.16Å; Q178-K181 PolarHBondContact O-N 3.4Å; Q178-K181 VanDerWaalsContact O-N 3.15Å; E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 PolarHBondContact O-N 3.1Å
182	K	75.1	Confident	82	Confident	180 Å²	180	96.8 Å²	96.8	78%	0.783	46%	0.455	S	S	*	.	H	α-helix	trans	-83.2	-13.3	178.8	-72	179.7	-179.8	-177.9	0	113.9	Q178 E179	Q178-K182 WeakPolarHBondContact O-CG 3.4Å; Q178-K182 PolarHBondContact O-N 3.49Å; Q178-K182 VanDerWaalsContact O-N 3.1Å; E179-K182 PolarHBondContact O-N 3.15Å
183	K	58	Low	81.2	Confident	192 Å²	192	104.5 Å²	104.5	84%	0.835	49%	0.489	S	S	*	.			trans	-100	0	175.7	-72.3	-178.3	179.4	179.8	0	110.1	E179	E179-K183 PolarHBondContact O-N 3.37Å

Retrieved 183 of 183 residues in 336.7 ms (Link to these results)

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