A0A096M9A6_POEFO Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M9A6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	41.5	Very low	243 Å²	243	132.2 Å²	132.2	100%	1.197	76%	0.757	S	S	*	*				0	65.9	0	-66.6	170.9	171.8	0	0	105.4
2	D	39.5	Very low	41.4	Very low	161 Å²	161	139.7 Å²	139.7	86%	0.861	76%	0.764	S	S	*	*				63.1	105.7	69.3	-157.9	15.5	0	0	0	111.7
3	A	38.6	Very low	41.6	Very low	87 Å²	87	134.2 Å²	134.2	72%	0.719	74%	0.739	S	S	*	*			trans	-167.5	105.9	162.5	0	0	0	0	0	110
4	T	45.6	Very low	41.5	Very low	128 Å²	128	129.1 Å²	129.1	79%	0.785	72%	0.723	S	S	*	*			trans	76.1	76.1	148.3	51	0	0	0	0	117.6	S6	T4-S6 PolarHBondContact O-N 3.21Å
5	D	41.3	Very low	41.9	Very low	158 Å²	158	134.6 Å²	134.6	85%	0.845	73%	0.728	S	S	*	*				-30.6	113.5	125.5	-88.9	-37.6	0	0	0	110.1	P7	D5-P7 WeakPolarHBondContact O-CD 3.14Å
6	S	40.4	Very low	42.5	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	72%	0.715	S	S	*	*			trans	-77.3	103.4	154.2	162.3	0	0	0	0	105.2	T4 D8	T4-S6 PolarHBondContact O-N 3.21Å; S6-D8 PolarHBondContact O-N 3Å
7	P	44.2	Very low	43.2	Very low	98 Å²	98	127.9 Å²	127.9	64%	0.636	68%	0.68	S	S	*	*			trans	-62.7	116.2	175.5	27.1	-32.1	0	0	0	106.8	D5 P9	D5-P7 WeakPolarHBondContact O-CD 3.14Å; P7-P9 WeakPolarHBondContact O-CD 3.32Å; P7-P9 VanDerWaalsContact O-N 3.15Å
8	D	47.4	Very low	44.3	Very low	88 Å²	88	124.2 Å²	124.2	47%	0.471	66%	0.657	S	S	.	*			trans	-47	123.8	169.6	178.4	0.3	0	0	0	107.7	S6 Y10 S11	S6-D8 PolarHBondContact O-N 3Å; D8-Y10 PolarHBondContact O-N 2.95Å; D8-Y10 WeakPolarHBondContact OD1-CD2 3.44Å; D8-Y10 PolarHBondContact OD1-N 2.78Å; D8-S11 WeakPolarHBondContact O-CB 3.34Å; D8-S11 PolarHBondContact O-N 2.9Å
9	P	43.7	Very low	45.8	Very low	122 Å²	122	120.8 Å²	120.8	79%	0.792	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-4.3	175.2	21.1	-30.2	0	0	0	113.7	P7	P7-P9 WeakPolarHBondContact O-CD 3.32Å; P7-P9 VanDerWaalsContact O-N 3.15Å
10	Y	41.4	Very low	47.2	Very low	183 Å²	183	114.8 Å²	114.8	72%	0.718	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	1.1	167.5	-55	-69.6	0	0	0	115.3	D8 R12	D8-Y10 PolarHBondContact O-N 2.95Å; D8-Y10 WeakPolarHBondContact OD1-CD2 3.44Å; D8-Y10 PolarHBondContact OD1-N 2.78Å; Y10-R12 PolarHBondContact O-N 3.41Å; Y10-R12 VanDerWaalsContact O-N 3.14Å
11	S	39.7	Very low	48.4	Very low	80 Å²	80	111.2 Å²	111.2	56%	0.559	59%	0.586	S	S	*	*	S	Bend	trans	-70	-5.6	-174.9	175.5	0	0	0	0	115.2	D8	D8-S11 WeakPolarHBondContact O-CB 3.34Å; D8-S11 PolarHBondContact O-N 2.9Å
12	R	40.9	Very low	50.2	Low	222 Å²	222	100.4 Å²	100.4	84%	0.838	53%	0.534	S	S	*	.			trans	-121.5	98.3	173.2	-73.9	-174	169.1	-173.2	-3.6	109.5	Y10 A14	Y10-R12 PolarHBondContact O-N 3.41Å; Y10-R12 VanDerWaalsContact O-N 3.14Å; R12-A14 HydrophobicContact CB-CB 4.35Å; R12-A14 PolarHBondContact O-N 3.22Å
13	P	44.1	Very low	51.7	Low	69 Å²	69	93.8 Å²	93.8	45%	0.448	50%	0.5	S	S	.	.			trans	-62	2.9	171.7	-20.3	31.9	0	0	0	114.6	R15 R16	P13-R15 PolarHBondContact O-N 3.34Å; P13-R16 PolarHBondContact O-N 3.01Å
14	A	40.2	Very low	53.3	Low	62 Å²	62	89.6 Å²	89.6	51%	0.512	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	17.4	-168.5	0	0	0	0	0	116.5	R12	R12-A14 HydrophobicContact CB-CB 4.35Å; R12-A14 PolarHBondContact O-N 3.22Å
15	R	47.8	Very low	54.4	Low	212 Å²	212	83.8 Å²	83.8	80%	0.8	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	-15.5	165.7	-71.9	-167.7	168.5	-145.9	-5	114.8	P13 W19	P13-R15 PolarHBondContact O-N 3.34Å; R15-W19 VanDerWaalsContact O-CD1 3.32Å; R15-W19 PolarHBondContact O-NE1 3.36Å
16	R	51.3	Low	55.7	Low	139 Å²	139	82.2 Å²	82.2	53%	0.525	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-14.5	-166.5	-152.8	178.5	-164.4	142.9	1.6	114.6	P13 C191	P13-R16 PolarHBondContact O-N 3.01Å; R16-C191 PolarHBondContact NH2-SG 3.29Å
17	T	54.1	Low	57	Low	17 Å²	17	82.2 Å²	82.2	10%	0.104	40%	0.401	C	S	.	.	S	Bend	trans	-115.8	-8.7	176.3	53.3	0	0	0	0	112.3	W19 V75 L192	T17-W19 VanDerWaalsContact C-N 3.29Å; T17-W19 PolarHBondContact O-N 3.5Å; T17-V75 HydrophobicContact CG2-CG1 3.55Å; T17-L192 HydrophobicContact CG2-CD2 3.88Å
18	Q	63.8	Low	58.2	Low	60 Å²	60	81.3 Å²	81.3	28%	0.28	39%	0.386	S	S	.	.	H	α-helix	trans	-73.9	-19.8	-176.1	-162.2	174.5	-43.7	0	0	112.6	V21 S22 E37	Q18-V21 PolarHBondContact O-N 2.96Å; Q18-S22 VanDerWaalsContact O-CB 3.22Å; Q18-S22 WeakPolarHBondContact O-CB 3.06Å; Q18-S22 PolarHBondContact O-N 3.37Å; Q18-S22 PolarHBondContact O-OG 2.86Å; Q18-E37 PolarHBondContact NE2-OE1 2.9Å; Q18-E37 VanDerWaalsContact NE2-OE1 3.11Å
19	W	71.9	Confident	58.8	Low	60 Å²	60	80.4 Å²	80.4	23%	0.227	40%	0.397	C	S	.	.	H	α-helix	trans	-65.1	-50.9	-173.7	-75.3	44.4	0	0	0	112.8	R15 T17 V21 T23 I39 L184	R15-W19 VanDerWaalsContact O-CD1 3.32Å; R15-W19 PolarHBondContact O-NE1 3.36Å; T17-W19 VanDerWaalsContact C-N 3.29Å; T17-W19 PolarHBondContact O-N 3.5Å; W19-V21 VanDerWaalsContact C-N 3.31Å; W19-V21 PolarHBondContact O-N 3.33Å; W19-T23 VanDerWaalsContact O-CB 3.29Å; W19-T23 WeakPolarHBondContact O-CB 3.09Å; W19-T23 PolarHBondContact O-N 3.48Å; W19-T23 PolarHBondContact O-OG1 3.29Å; W19-I39 HydrophobicContact CE3-CG2 4.5Å; W19-I39 HydrophobicContact CH2-CB 4.17Å; W19-I39 HydrophobicContact CH2-CD1 3.16Å; W19-I39 HydrophobicContact CH2-CG1 4.16Å; W19-I39 HydrophobicContact CH2-CG2 3.87Å; W19-I39 HydrophobicContact CZ2-CD1 3.42Å; W19-I39 VanDerWaalsContact CZ2-CD1 3.42Å; W19-I39 HydrophobicContact CZ3-CB 3.98Å; W19-I39 HydrophobicContact CZ3-CD1 3.91Å; W19-I39 HydrophobicContact CZ3-CG1 4.48Å; W19-I39 HydrophobicContact CZ3-CG2 3.57Å; W19-L184 HydrophobicContact CH2-CB 4.34Å; W19-L184 HydrophobicContact CH2-CD1 4.3Å; W19-L184 HydrophobicContact CH2-CD2 4.22Å; W19-L184 HydrophobicContact CZ3-CB 4.03Å; W19-L184 HydrophobicContact CZ3-CD1 4.5Å
20	I	73.8	Confident	59.7	Low	1 Å²	1	76 Å²	76	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-66.7	-36	177.2	-172.2	63.7	0	0	0	111.6	T23 L24 L45 Y48 L49 I52 L76	I20-T23 PolarHBondContact O-N 3.14Å; I20-L24 HydrophobicContact CD1-CD1 4.08Å; I20-L24 HydrophobicContact CD1-CG 4.19Å; I20-L24 HydrophobicContact CG1-CD1 3.79Å; I20-L24 HydrophobicContact CG1-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.47Å; I20-L24 VanDerWaalsContact O-CG 3.3Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 2.9Å; I20-L45 HydrophobicContact CD1-CD1 3.98Å; I20-Y48 HydrophobicContact CB-CE1 3.84Å; I20-Y48 HydrophobicContact CD1-CD1 3.62Å; I20-Y48 HydrophobicContact CD1-CE1 3.48Å; I20-Y48 VanDerWaalsContact CD1-CE1 3.48Å; I20-Y48 HydrophobicContact CG1-CE1 4.2Å; I20-L49 HydrophobicContact CD1-CD2 3.57Å; I20-L49 HydrophobicContact CD1-CG 4.4Å; I20-L49 HydrophobicContact CG1-CD2 4.27Å; I20-I52 HydrophobicContact CD1-CD1 4.22Å; I20-I52 HydrophobicContact CG1-CD1 4.27Å; I20-L76 HydrophobicContact CG2-CD1 4.05Å; I20-L76 HydrophobicContact CG2-CD2 3.35Å; I20-L76 HydrophobicContact CG2-CG 4.33Å
21	V	73.4	Confident	60.4	Low	39 Å²	39	75.2 Å²	75.2	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-48	178.1	178.8	0	0	0	0	111	Q18 W19 L24 A25 L76 F111	Q18-V21 PolarHBondContact O-N 2.96Å; W19-V21 VanDerWaalsContact C-N 3.31Å; W19-V21 PolarHBondContact O-N 3.33Å; V21-L24 PolarHBondContact O-N 3.24Å; V21-A25 VanDerWaalsContact O-CB 3.23Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 3.22Å; V21-L76 HydrophobicContact CG2-CB 4.31Å; V21-L76 HydrophobicContact CG2-CD2 4.33Å; V21-F111 HydrophobicContact CB-CE1 4.48Å; V21-F111 HydrophobicContact CB-CZ 4.38Å; V21-F111 HydrophobicContact CG1-CE1 3.95Å; V21-F111 HydrophobicContact CG1-CZ 4.18Å; V21-F111 HydrophobicContact CG2-CZ 4.33Å
22	S	70.3	Confident	61.1	Low	16 Å²	16	77.7 Å²	77.7	11%	0.112	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-43.4	174.3	-70.4	0	0	0	0	111.4	Q18 A25 Y26 E37	Q18-S22 VanDerWaalsContact O-CB 3.22Å; Q18-S22 WeakPolarHBondContact O-CB 3.06Å; Q18-S22 PolarHBondContact O-N 3.37Å; Q18-S22 PolarHBondContact O-OG 2.86Å; S22-A25 PolarHBondContact O-N 3.04Å; S22-Y26 WeakPolarHBondContact O-CB 3.2Å; S22-Y26 PolarHBondContact O-N 3.15Å; S22-E37 WeakPolarHBondContact CB-OE2 3.46Å; S22-E37 PolarHBondContact OG-OE2 3.09Å
23	T	71.3	Confident	61.7	Low	22 Å²	22	68.8 Å²	68.8	14%	0.135	35%	0.349	C	S	.	.	H	α-helix	trans	-65.3	-45.7	-179.8	-55.6	0	0	0	0	111.4	W19 I20 Y26 H27 L45	W19-T23 VanDerWaalsContact O-CB 3.29Å; W19-T23 WeakPolarHBondContact O-CB 3.09Å; W19-T23 PolarHBondContact O-N 3.48Å; W19-T23 PolarHBondContact O-OG1 3.29Å; I20-T23 PolarHBondContact O-N 3.14Å; T23-Y26 PolarHBondContact O-N 3.43Å; T23-H27 WeakPolarHBondContact O-CB 3.07Å; T23-H27 PolarHBondContact O-N 2.93Å; T23-L45 HydrophobicContact CG2-CD1 3.98Å
24	L	72.6	Confident	62	Low	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.9	-43.5	176.5	-73.3	168.1	0	0	0	111.2	I20 V21 Y26 H27 Y28 L45 L107 F111	I20-L24 HydrophobicContact CD1-CD1 4.08Å; I20-L24 HydrophobicContact CD1-CG 4.19Å; I20-L24 HydrophobicContact CG1-CD1 3.79Å; I20-L24 HydrophobicContact CG1-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.47Å; I20-L24 VanDerWaalsContact O-CG 3.3Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 2.9Å; V21-L24 PolarHBondContact O-N 3.24Å; L24-Y26 VanDerWaalsContact C-N 3.31Å; L24-Y26 PolarHBondContact O-N 2.94Å; L24-H27 PolarHBondContact O-N 3.33Å; L24-Y28 HydrophobicContact CD2-CD2 4.5Å; L24-Y28 HydrophobicContact CD2-CE2 4.01Å; L24-Y28 VanDerWaalsContact O-CD2 3.24Å; L24-Y28 WeakPolarHBondContact O-CD2 3.39Å; L24-Y28 PolarHBondContact O-N 3.01Å; L24-L45 HydrophobicContact CD2-CD1 3.97Å; L24-L45 HydrophobicContact CD2-CD2 3.8Å; L24-L45 HydrophobicContact CD2-CG 4.44Å; L24-L45 HydrophobicContact CG-CD1 4.37Å; L24-L107 HydrophobicContact CD1-CD2 4.22Å; L24-L107 HydrophobicContact CD1-CG 4.01Å; L24-F111 HydrophobicContact CB-CD1 3.78Å; L24-F111 HydrophobicContact CB-CD2 3.84Å; L24-F111 HydrophobicContact CB-CE1 3.84Å; L24-F111 HydrophobicContact CB-CE2 3.94Å; L24-F111 HydrophobicContact CB-CG 3.77Å; L24-F111 HydrophobicContact CB-CZ 3.93Å; L24-F111 HydrophobicContact CD1-CD2 3.7Å; L24-F111 HydrophobicContact CD1-CE2 3.34Å; L24-F111 HydrophobicContact CD1-CG 4.5Å; L24-F111 HydrophobicContact CD1-CZ 3.85Å; L24-F111 HydrophobicContact CG-CD2 4.29Å; L24-F111 HydrophobicContact CG-CE2 4.24Å
25	A	69.7	Low	62.6	Low	6 Å²	6	75.5 Å²	75.5	5%	0.05	37%	0.37	C	S	.	.	H	α-helix	trans	-56	-46.5	175.7	0	0	0	0	0	111.7	V21 S22 Y28 G29 L30	V21-A25 VanDerWaalsContact O-CB 3.23Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 3.22Å; S22-A25 PolarHBondContact O-N 3.04Å; A25-Y28 PolarHBondContact O-N 3.5Å; A25-G29 PolarHBondContact O-N 2.88Å; A25-G29 VanDerWaalsContact O-N 3.13Å; A25-L30 HydrophobicContact CB-CB 4.03Å; A25-L30 WeakPolarHBondContact O-CB 3.39Å; A25-L30 PolarHBondContact O-N 2.89Å
26	Y	67.1	Low	62.6	Low	124 Å²	124	72.4 Å²	72.4	49%	0.486	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-47.6	175.7	179.1	-95.7	0	0	0	112.7	S22 T23 L24 Y28 G29 L41 A42	S22-Y26 WeakPolarHBondContact O-CB 3.2Å; S22-Y26 PolarHBondContact O-N 3.15Å; T23-Y26 PolarHBondContact O-N 3.43Å; L24-Y26 VanDerWaalsContact C-N 3.31Å; L24-Y26 PolarHBondContact O-N 2.94Å; Y26-Y28 PolarHBondContact O-N 3.49Å; Y26-G29 PolarHBondContact O-N 3.16Å; Y26-L41 HydrophobicContact CD1-CD2 3.66Å; Y26-L41 HydrophobicContact CD2-CD2 3.63Å; Y26-L41 HydrophobicContact CE1-CB 4.15Å; Y26-L41 HydrophobicContact CE1-CD2 3.89Å; Y26-L41 HydrophobicContact CE2-CD1 4.38Å; Y26-L41 HydrophobicContact CE2-CD2 3.85Å; Y26-L41 HydrophobicContact CG-CD2 3.52Å; Y26-A42 HydrophobicContact CE1-CB 4.28Å
27	H	67.9	Low	62.5	Low	106 Å²	106	68.8 Å²	68.8	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-26.8	-177.6	-164.1	-75.9	0	0	0	112.8	T23 L24 L45	T23-H27 WeakPolarHBondContact O-CB 3.07Å; T23-H27 PolarHBondContact O-N 2.93Å; L24-H27 PolarHBondContact O-N 3.33Å; H27-L45 HydrophobicContact CB-CD2 4.2Å
28	Y	69.2	Low	62.4	Low	79 Å²	79	74 Å²	74	31%	0.31	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9.9	177.2	-70	-75.3	0	0	0	113.9	L24 A25 Y26 L30 C108 F111	L24-Y28 HydrophobicContact CD2-CD2 4.5Å; L24-Y28 HydrophobicContact CD2-CE2 4.01Å; L24-Y28 VanDerWaalsContact O-CD2 3.24Å; L24-Y28 WeakPolarHBondContact O-CD2 3.39Å; L24-Y28 PolarHBondContact O-N 3.01Å; A25-Y28 PolarHBondContact O-N 3.5Å; Y26-Y28 PolarHBondContact O-N 3.49Å; Y28-L30 VanDerWaalsContact C-N 3.31Å; Y28-L30 PolarHBondContact O-N 2.95Å; Y28-C108 HydrophobicContact CE2-CB 4.17Å; Y28-C108 VanDerWaalsContact OH-CB 3.27Å; Y28-C108 WeakPolarHBondContact OH-CB 3.29Å; Y28-C108 PolarHBondContact OH-SG 2.96Å; Y28-C108 VanDerWaalsContact OH-SG 3.38Å; Y28-F111 HydrophobicContact CD2-CB 3.95Å; Y28-F111 HydrophobicContact CG-CB 4.44Å
29	G	61.3	Low	61.8	Low	69 Å²	69	74.8 Å²	74.8	71%	0.711	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	21.5	173.9	0	0	0	0	0	114.9	A25 Y26	A25-G29 PolarHBondContact O-N 2.88Å; A25-G29 VanDerWaalsContact O-N 3.13Å; Y26-G29 PolarHBondContact O-N 3.16Å
30	L	62.8	Low	60.8	Low	31 Å²	31	72.7 Å²	72.7	16%	0.162	38%	0.383	C	S	.	.			trans	-81.6	114.7	175.9	-66.7	171.6	0	0	0	109.2	A25 Y28 R32 F111 A115	A25-L30 HydrophobicContact CB-CB 4.03Å; A25-L30 WeakPolarHBondContact O-CB 3.39Å; A25-L30 PolarHBondContact O-N 2.89Å; Y28-L30 VanDerWaalsContact C-N 3.31Å; Y28-L30 PolarHBondContact O-N 2.95Å; L30-R32 PolarHBondContact O-N 3.2Å; L30-F111 HydrophobicContact CD1-CB 4.29Å; L30-F111 HydrophobicContact CD1-CD1 4.24Å; L30-F111 WeakPolarHBondContact CD1-O 3.49Å; L30-A115 HydrophobicContact CD1-CB 4.27Å; L30-A115 HydrophobicContact CD2-CB 3.35Å; L30-A115 HydrophobicContact CG-CB 3.97Å
31	D	55.3	Low	59.5	Low	165 Å²	165	76.8 Å²	76.8	88%	0.882	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	61.4	176.2	-168.4	27.6	0	0	0	111.8
32	R	55	Low	58.5	Low	133 Å²	133	78 Å²	78	50%	0.502	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	4.4	178.2	-64.7	-166.5	-176.3	-158.7	3.7	112.4	L30	L30-R32 PolarHBondContact O-N 3.2Å
33	G	52.5	Low	57.9	Low	34 Å²	34	81.5 Å²	81.5	35%	0.351	44%	0.439	S	S	.	.	S	Bend	trans	-85.6	132.4	176.8	0	0	0	0	0	111	E35	G33-E35 PolarHBondContact O-N 2.92Å
34	V	51.6	Low	57.9	Low	83 Å²	83	81.7 Å²	81.7	50%	0.503	45%	0.446	S	S	.	.			trans	-64.7	120.2	167.6	-176.5	0	0	0	0	107.3	N36 E37	V34-N36 HydrophobicContact CG1-CB 4.33Å; V34-N36 PolarHBondContact O-N 3.05Å; V34-E37 HydrophobicContact CB-CG 4.34Å; V34-E37 PolarHBondContact O-N 3.46Å
35	E	51.5	Low	58.2	Low	190 Å²	190	82.4 Å²	82.4	89%	0.888	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-7.6	-178.7	-131.7	171.4	179.9	0	0	113.9	G33	G33-E35 PolarHBondContact O-N 2.92Å
36	N	48.5	Very low	58.9	Low	146 Å²	146	86.6 Å²	86.6	78%	0.781	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	12.1	179.2	-82.3	-27.3	0	0	0	115.5	V34 I38	V34-N36 HydrophobicContact CG1-CB 4.33Å; V34-N36 PolarHBondContact O-N 3.05Å; N36-I38 PolarHBondContact O-N 2.99Å
37	E	48.7	Very low	59.8	Low	64 Å²	64	85.3 Å²	85.3	30%	0.299	47%	0.469	S	S	.	.			trans	-90.6	57.9	164.6	-71.1	-174	172.5	0	0	110.6	Q18 S22 V34 I39	Q18-E37 PolarHBondContact NE2-OE1 2.9Å; Q18-E37 VanDerWaalsContact NE2-OE1 3.11Å; S22-E37 WeakPolarHBondContact CB-OE2 3.46Å; S22-E37 PolarHBondContact OG-OE2 3.09Å; V34-E37 HydrophobicContact CB-CG 4.34Å; V34-E37 PolarHBondContact O-N 3.46Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 2.95Å
38	I	51.8	Low	60.6	Low	125 Å²	125	80.4 Å²	80.4	64%	0.641	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	93.8	166	-58.4	178.1	0	0	0	107.4	N36	N36-I38 PolarHBondContact O-N 2.99Å
39	I	51.6	Low	61.6	Low	77 Å²	77	76.7 Å²	76.7	40%	0.395	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-25.9	153.6	-58.7	-177.8	0	0	0	111.7	W19 E37 L184	W19-I39 HydrophobicContact CE3-CG2 4.5Å; W19-I39 HydrophobicContact CH2-CB 4.17Å; W19-I39 HydrophobicContact CH2-CD1 3.16Å; W19-I39 HydrophobicContact CH2-CG1 4.16Å; W19-I39 HydrophobicContact CH2-CG2 3.87Å; W19-I39 HydrophobicContact CZ2-CD1 3.42Å; W19-I39 VanDerWaalsContact CZ2-CD1 3.42Å; W19-I39 HydrophobicContact CZ3-CB 3.98Å; W19-I39 HydrophobicContact CZ3-CD1 3.91Å; W19-I39 HydrophobicContact CZ3-CG1 4.48Å; W19-I39 HydrophobicContact CZ3-CG2 3.57Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 2.95Å; I39-L184 HydrophobicContact CG2-CD1 3.56Å
40	V	50.2	Low	63	Low	16 Å²	16	78.8 Å²	78.8	10%	0.097	42%	0.423	C	S	.	.			trans	-153.9	59.6	-177.5	-165.1	0	0	0	0	112.4	A42 R181 Q185	V40-A42 PolarHBondContact O-N 3.31Å; V40-R181 HydrophobicContact CG1-CG 4.31Å; V40-R181 HydrophobicContact CG2-CG 4.14Å; V40-Q185 VanDerWaalsContact CG1-NE2 3.3Å; V40-Q185 HydrophobicContact CG2-CG 4.39Å
41	L	47.7	Very low	64.3	Low	87 Å²	87	80 Å²	80	46%	0.455	43%	0.428	S	S	.	.	S	Bend	trans	-77	109.2	169.3	-63.8	177.2	0	0	0	109	Y26	Y26-L41 HydrophobicContact CD1-CD2 3.66Å; Y26-L41 HydrophobicContact CD2-CD2 3.63Å; Y26-L41 HydrophobicContact CE1-CB 4.15Å; Y26-L41 HydrophobicContact CE1-CD2 3.89Å; Y26-L41 HydrophobicContact CE2-CD1 4.38Å; Y26-L41 HydrophobicContact CE2-CD2 3.85Å; Y26-L41 HydrophobicContact CG-CD2 3.52Å
42	A	53.1	Low	65.9	Low	64 Å²	64	72.3 Å²	72.3	53%	0.529	39%	0.387	S	S	.	.	S	Bend	trans	93.2	-1.4	154.2	0	0	0	0	0	121.8	Y26 V40	Y26-A42 HydrophobicContact CE1-CB 4.28Å; V40-A42 PolarHBondContact O-N 3.31Å
43	T	56.9	Low	67.7	Low	90 Å²	90	66.7 Å²	66.7	55%	0.552	37%	0.366	S	S	*	.	S	Bend	trans	-129.9	143.1	172.6	54.2	0	0	0	0	113.1	L45 R181	T43-L45 PolarHBondContact O-N 3.48Å; T43-R181 PolarHBondContact O-NH1 3.05Å
44	G	71	Confident	69.7	Low	27 Å²	27	70.2 Å²	70.2	28%	0.278	37%	0.373	S	S	.	.			trans	67.6	29.9	173.6	0	0	0	0	0	116.3	D46 Q47 Y48	G44-D46 VanDerWaalsContact C-N 3.29Å; G44-D46 PolarHBondContact O-N 2.9Å; G44-Q47 WeakPolarHBondContact O-CB 3.48Å; G44-Q47 PolarHBondContact O-N 3.19Å; G44-Y48 PolarHBondContact O-N 3.49Å
45	L	78.8	Confident	71.5	Confident	15 Å²	15	68.4 Å²	68.4	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-55.1	-47.3	169.3	171.3	61.4	0	0	0	110.9	I20 T23 L24 H27 T43 Q47 Y48 L49	I20-L45 HydrophobicContact CD1-CD1 3.98Å; T23-L45 HydrophobicContact CG2-CD1 3.98Å; L24-L45 HydrophobicContact CD2-CD1 3.97Å; L24-L45 HydrophobicContact CD2-CD2 3.8Å; L24-L45 HydrophobicContact CD2-CG 4.44Å; L24-L45 HydrophobicContact CG-CD1 4.37Å; H27-L45 HydrophobicContact CB-CD2 4.2Å; T43-L45 PolarHBondContact O-N 3.48Å; L45-Q47 PolarHBondContact O-N 3.02Å; L45-Y48 PolarHBondContact O-N 3.1Å; L45-Y48 VanDerWaalsContact O-N 3.11Å; L45-L49 HydrophobicContact CD1-CD1 4.15Å; L45-L49 HydrophobicContact CD1-CG 4.01Å; L45-L49 HydrophobicContact CG-CD1 4.1Å; L45-L49 HydrophobicContact CG-CG 4.35Å; L45-L49 WeakPolarHBondContact O-CG 3.27Å; L45-L49 PolarHBondContact O-N 3.45Å
46	D	84.6	Confident	73.4	Confident	93 Å²	93	59.7 Å²	59.7	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-37.6	179.7	-63.8	-31.3	0	0	0	112.1	G44 L49 Q50 H104	G44-D46 VanDerWaalsContact C-N 3.29Å; G44-D46 PolarHBondContact O-N 2.9Å; D46-L49 PolarHBondContact O-N 3.41Å; D46-Q50 WeakPolarHBondContact O-CB 3.41Å; D46-Q50 PolarHBondContact O-N 3.42Å; D46-H104 IonicContact OD1-CD2 2.7Å; D46-H104 IonicContact OD1-CE1 3.61Å; D46-H104 IonicContact OD1-NE2 3.74Å; D46-H104 PolarHBondContact OD1-NE2 3.49Å
47	Q	85.9	Confident	75.4	Confident	97 Å²	97	53.3 Å²	53.3	45%	0.453	29%	0.285	S	S	.	.	H	α-helix	trans	-66.7	-41.9	176.5	-175.8	-180	10.2	0	0	111.5	G44 L45 Q50 E51	G44-Q47 WeakPolarHBondContact O-CB 3.48Å; G44-Q47 PolarHBondContact O-N 3.19Å; L45-Q47 PolarHBondContact O-N 3.02Å; Q47-Q50 PolarHBondContact O-N 2.91Å; Q47-E51 WeakPolarHBondContact O-CB 3.37Å; Q47-E51 PolarHBondContact O-N 3.42Å
48	Y	85.6	Confident	77	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-44	175.6	178.9	-147.2	0	0	0	111.8	I20 G44 L45 Q50 E51 I52 Q185 D188 A189	I20-Y48 HydrophobicContact CB-CE1 3.84Å; I20-Y48 HydrophobicContact CD1-CD1 3.62Å; I20-Y48 HydrophobicContact CD1-CE1 3.48Å; I20-Y48 VanDerWaalsContact CD1-CE1 3.48Å; I20-Y48 HydrophobicContact CG1-CE1 4.2Å; G44-Y48 PolarHBondContact O-N 3.49Å; L45-Y48 PolarHBondContact O-N 3.1Å; L45-Y48 VanDerWaalsContact O-N 3.11Å; Y48-Q50 VanDerWaalsContact C-N 3.27Å; Y48-Q50 PolarHBondContact O-N 3.38Å; Y48-E51 PolarHBondContact O-N 2.8Å; Y48-I52 HydrophobicContact CD2-CD1 4.06Å; Y48-I52 HydrophobicContact CD2-CG1 4.16Å; Y48-I52 HydrophobicContact CE1-CD1 4.31Å; Y48-I52 HydrophobicContact CE2-CD1 3.76Å; Y48-I52 HydrophobicContact CE2-CG1 3.94Å; Y48-I52 HydrophobicContact CG-CD1 4.45Å; Y48-I52 WeakPolarHBondContact O-CG1 3.43Å; Y48-I52 PolarHBondContact O-N 3.06Å; Y48-Q185 HydrophobicContact CD2-CB 3.71Å; Y48-Q185 HydrophobicContact CD2-CG 3.96Å; Y48-Q185 HydrophobicContact CE2-CB 4.24Å; Y48-Q185 HydrophobicContact CE2-CG 4.49Å; Y48-Q185 HydrophobicContact CG-CB 4.22Å; Y48-Q185 HydrophobicContact CG-CG 4Å; Y48-D188 HydrophobicContact CE2-CB 4.39Å; Y48-D188 PolarHBondContact OH-OD2 2.98Å; Y48-A189 HydrophobicContact CE2-CB 4.34Å
49	L	88.8	Confident	78.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-39.4	173	-70.7	-178.5	0	0	0	111.9	I20 L45 D46 I52 F53 F100 F103 H104 L107	I20-L49 HydrophobicContact CD1-CD2 3.57Å; I20-L49 HydrophobicContact CD1-CG 4.4Å; I20-L49 HydrophobicContact CG1-CD2 4.27Å; L45-L49 HydrophobicContact CD1-CD1 4.15Å; L45-L49 HydrophobicContact CD1-CG 4.01Å; L45-L49 HydrophobicContact CG-CD1 4.1Å; L45-L49 HydrophobicContact CG-CG 4.35Å; L45-L49 WeakPolarHBondContact O-CG 3.27Å; L45-L49 PolarHBondContact O-N 3.45Å; D46-L49 PolarHBondContact O-N 3.41Å; L49-I52 HydrophobicContact CD2-CD1 4.45Å; L49-I52 PolarHBondContact O-N 2.96Å; L49-F53 WeakPolarHBondContact O-CB 3.34Å; L49-F53 PolarHBondContact O-N 3Å; L49-F100 HydrophobicContact CB-CE2 4.15Å; L49-F100 HydrophobicContact CB-CZ 4.45Å; L49-F103 HydrophobicContact CB-CE1 4.4Å; L49-F103 HydrophobicContact CD2-CE1 4.35Å; L49-H104 WeakPolarHBondContact CD1-CD2 3.34Å; L49-L107 HydrophobicContact CD2-CD2 3.46Å; L49-L107 VanDerWaalsContact CD2-CD2 3.46Å
50	Q	90.6	Very high	80.4	Confident	113 Å²	113	58.2 Å²	58.2	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-38.4	177.1	-174	174.6	-6.8	0	0	111.8	D46 Q47 Y48 F53 H54 F100	D46-Q50 WeakPolarHBondContact O-CB 3.41Å; D46-Q50 PolarHBondContact O-N 3.42Å; Q47-Q50 PolarHBondContact O-N 2.91Å; Y48-Q50 VanDerWaalsContact C-N 3.27Å; Y48-Q50 PolarHBondContact O-N 3.38Å; Q50-F53 PolarHBondContact O-N 2.71Å; Q50-H54 WeakPolarHBondContact O-CB 3.43Å; Q50-H54 PolarHBondContact O-N 2.86Å; Q50-F100 VanDerWaalsContact CA-CE2 3.46Å; Q50-F100 HydrophobicContact CB-CE2 3.85Å; Q50-F100 HydrophobicContact CB-CZ 3.83Å; Q50-F100 HydrophobicContact CG-CE2 4.46Å; Q50-F100 HydrophobicContact CG-CZ 4.47Å
51	E	89.9	Confident	82.3	Confident	57 Å²	57	63.3 Å²	63.3	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-41.8	175.7	-170.5	72.3	173.2	0	0	111.6	Q47 Y48 H54 H55 S186 A189	Q47-E51 WeakPolarHBondContact O-CB 3.37Å; Q47-E51 PolarHBondContact O-N 3.42Å; Y48-E51 PolarHBondContact O-N 2.8Å; E51-H54 PolarHBondContact O-N 3.28Å; E51-H55 PolarHBondContact O-CD2 3.13Å; E51-H55 VanDerWaalsContact O-CD2 3.3Å; E51-H55 PolarHBondContact O-N 3.4Å; E51-H55 IonicContact OE1-NE2 3.29Å; E51-H55 PolarHBondContact OE1-NE2 3.27Å; E51-S186 WeakPolarHBondContact OE1-CB 3.43Å; E51-S186 PolarHBondContact OE1-OG 2.84Å; E51-A189 HydrophobicContact CB-CB 4.16Å; E51-A189 HydrophobicContact CG-CB 3.7Å
52	I	90.7	Very high	84.4	Confident	3 Å²	3	61 Å²	61	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-58.5	-50.3	172	-65.5	166.1	0	0	0	109.7	I20 Y48 L49 H54 H55 L56 L72 F103 A189 L192	I20-I52 HydrophobicContact CD1-CD1 4.22Å; I20-I52 HydrophobicContact CG1-CD1 4.27Å; Y48-I52 HydrophobicContact CD2-CD1 4.06Å; Y48-I52 HydrophobicContact CD2-CG1 4.16Å; Y48-I52 HydrophobicContact CE1-CD1 4.31Å; Y48-I52 HydrophobicContact CE2-CD1 3.76Å; Y48-I52 HydrophobicContact CE2-CG1 3.94Å; Y48-I52 HydrophobicContact CG-CD1 4.45Å; Y48-I52 WeakPolarHBondContact O-CG1 3.43Å; Y48-I52 PolarHBondContact O-N 3.06Å; L49-I52 HydrophobicContact CD2-CD1 4.45Å; L49-I52 PolarHBondContact O-N 2.96Å; I52-H54 VanDerWaalsContact C-N 3.31Å; I52-H54 PolarHBondContact O-N 2.93Å; I52-H55 PolarHBondContact O-N 2.83Å; I52-L56 HydrophobicContact CG2-CD1 3.98Å; I52-L56 WeakPolarHBondContact O-CG 3.39Å; I52-L56 PolarHBondContact O-N 3.3Å; I52-L72 HydrophobicContact CG2-CD2 4.37Å; I52-F103 HydrophobicContact CG2-CZ 3.99Å; I52-A189 HydrophobicContact CB-CB 4.45Å; I52-A189 HydrophobicContact CG1-CB 3.74Å; I52-L192 HydrophobicContact CD1-CD1 4.01Å; I52-L192 HydrophobicContact CG1-CD1 4.19Å
53	F	92.4	Very high	86.3	Confident	15 Å²	15	63.6 Å²	63.6	7%	0.066	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-43.3	178.1	-177.6	-87.7	0	0	0	111.9	L49 Q50 H55 L56 D57 I64 F100 F103	L49-F53 WeakPolarHBondContact O-CB 3.34Å; L49-F53 PolarHBondContact O-N 3Å; Q50-F53 PolarHBondContact O-N 2.71Å; F53-H55 VanDerWaalsContact C-N 3.34Å; F53-H55 PolarHBondContact O-N 2.93Å; F53-L56 PolarHBondContact O-N 2.91Å; F53-D57 HydrophobicContact CE1-CB 4.23Å; F53-D57 WeakPolarHBondContact O-CB 3.17Å; F53-D57 PolarHBondContact O-N 3.39Å; F53-I64 HydrophobicContact CD2-CD1 4.09Å; F53-I64 HydrophobicContact CD2-CG1 4.41Å; F53-I64 HydrophobicContact CD2-CG2 4.02Å; F53-I64 HydrophobicContact CE2-CB 4.35Å; F53-I64 HydrophobicContact CE2-CD1 4.05Å; F53-I64 HydrophobicContact CE2-CG1 3.9Å; F53-I64 HydrophobicContact CE2-CG2 3.73Å; F53-I64 HydrophobicContact CZ-CG2 4.08Å; F53-F100 HydrophobicContact CB-CD2 3.82Å; F53-F100 HydrophobicContact CB-CE2 4.38Å; F53-F100 HydrophobicContact CD1-CB 4.14Å; F53-F100 HydrophobicContact CD1-CD2 4.35Å; F53-F100 HydrophobicContact CD2-CB 4.29Å; F53-F100 HydrophobicContact CD2-CD2 4.21Å; F53-F100 HydrophobicContact CE1-CB 4.15Å; F53-F100 HydrophobicContact CE2-CB 4.27Å; F53-F100 HydrophobicContact CG-CB 4.23Å; F53-F100 AromaticContact CG-CD2 3.86Å; F53-F100 HydrophobicContact CG-CD2 3.86Å; F53-F100 HydrophobicContact CZ-CB 4.21Å; F53-F103 HydrophobicContact CB-CD1 4.2Å; F53-F103 HydrophobicContact CB-CE1 4.22Å; F53-F103 HydrophobicContact CD2-CB 3.8Å; F53-F103 AromaticContact CD2-CD1 3.99Å; F53-F103 HydrophobicContact CD2-CD1 3.99Å; F53-F103 HydrophobicContact CD2-CD2 4.27Å; F53-F103 AromaticContact CD2-CG 3.76Å; F53-F103 HydrophobicContact CD2-CG 3.76Å; F53-F103 HydrophobicContact CE2-CB 4.08Å; F53-F103 HydrophobicContact CE2-CG 4.48Å
54	H	93	Very high	88	Confident	108 Å²	108	59.3 Å²	59.3	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-40	179.6	-176	62.8	0	0	0	112.4	Q50 E51 I52 D57	Q50-H54 WeakPolarHBondContact O-CB 3.43Å; Q50-H54 PolarHBondContact O-N 2.86Å; E51-H54 PolarHBondContact O-N 3.28Å; I52-H54 VanDerWaalsContact C-N 3.31Å; I52-H54 PolarHBondContact O-N 2.93Å; H54-D57 CarbonylContact O-C 3.4Å; H54-D57 VanDerWaalsContact O-C 3.28Å; H54-D57 PolarHBondContact O-N 3.38Å
55	H	90.8	Very high	88.9	Confident	46 Å²	46	60.5 Å²	60.5	21%	0.213	31%	0.309	C	S	.	.	H	α-helix	trans	-73	-29.4	177.2	-75.9	-49.3	0	0	0	113.8	E51 I52 F53 R190 A193	E51-H55 PolarHBondContact O-CD2 3.13Å; E51-H55 VanDerWaalsContact O-CD2 3.3Å; E51-H55 PolarHBondContact O-N 3.4Å; E51-H55 IonicContact OE1-NE2 3.29Å; E51-H55 PolarHBondContact OE1-NE2 3.27Å; I52-H55 PolarHBondContact O-N 2.83Å; F53-H55 VanDerWaalsContact C-N 3.34Å; F53-H55 PolarHBondContact O-N 2.93Å; H55-R190 WeakPolarHBondContact CE1-CG 3.37Å; H55-R190 WeakPolarHBondContact NE2-CG 3.49Å; H55-A193 HydrophobicContact CB-CB 3.56Å
56	L	90.2	Very high	89.3	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-71.3	-43.4	171	-67.2	172.2	0	0	0	111.2	I52 F53 H58 I64 L72 F103 A193 V196	I52-L56 HydrophobicContact CG2-CD1 3.98Å; I52-L56 WeakPolarHBondContact O-CG 3.39Å; I52-L56 PolarHBondContact O-N 3.3Å; F53-L56 PolarHBondContact O-N 2.91Å; L56-H58 PolarHBondContact O-N 2.92Å; L56-I64 HydrophobicContact CB-CG2 3.79Å; L56-L72 HydrophobicContact CD1-CD2 4.04Å; L56-F103 HydrophobicContact CD1-CE2 4.31Å; L56-A193 HydrophobicContact CD2-CB 4.09Å; L56-V196 HydrophobicContact CD2-CB 3.96Å; L56-V196 HydrophobicContact CD2-CG1 3.92Å; L56-V196 HydrophobicContact CD2-CG2 4.08Å
57	D	91.8	Very high	89.4	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.064	32%	0.315	C	S	.	.			trans	-81	60.7	171.7	-177	19.1	0	0	0	111.6	F53 H54 R59 G60 L61 G62 K63 I64	F53-D57 HydrophobicContact CE1-CB 4.23Å; F53-D57 WeakPolarHBondContact O-CB 3.17Å; F53-D57 PolarHBondContact O-N 3.39Å; H54-D57 CarbonylContact O-C 3.4Å; H54-D57 VanDerWaalsContact O-C 3.28Å; H54-D57 PolarHBondContact O-N 3.38Å; D57-R59 PolarHBondContact O-N 2.92Å; D57-G60 PolarHBondContact O-N 2.51Å; D57-G60 PolarHBondContact OD1-N 3.09Å; D57-G60 WeakPolarHBondContact OD2-CA 3.36Å; D57-L61 VanDerWaalsContact CG-N 3.33Å; D57-L61 PolarHBondContact OD1-N 2.93Å; D57-L61 PolarHBondContact OD2-N 3.06Å; D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.18Å; D57-G62 PolarHBondContact OD2-N 3.39Å; D57-K63 PolarHBondContact OD2-N 3.2Å; D57-I64 HydrophobicContact CB-CG2 3.97Å
58	H	82.7	Confident	89.6	Confident	127 Å²	127	59 Å²	59	59%	0.588	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.7	-179	80.6	74.9	0	0	0	113.6	L56	L56-H58 PolarHBondContact O-N 2.92Å
59	R	86.4	Confident	89.8	Confident	188 Å²	188	58.9 Å²	58.9	71%	0.709	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-13.4	177.9	-59.8	-173.4	-175.9	-170.3	-0.5	112.5	D57 L61	D57-R59 PolarHBondContact O-N 2.92Å; R59-L61 HydrophobicContact CB-CD1 4.07Å; R59-L61 HydrophobicContact CB-CG 3.83Å
60	G	87.8	Confident	89.7	Confident	54 Å²	54	61.1 Å²	61.1	56%	0.557	31%	0.311	S	S	*	.			trans	66.7	33.3	-178.8	0	0	0	0	0	113.7	D57 G62	D57-G60 PolarHBondContact O-N 2.51Å; D57-G60 PolarHBondContact OD1-N 3.09Å; D57-G60 WeakPolarHBondContact OD2-CA 3.36Å; G60-G62 VanDerWaalsContact C-N 3.27Å
61	L	89.9	Confident	89.5	Confident	124 Å²	124	56.6 Å²	56.6	65%	0.649	29%	0.291	S	S	*	.	S	Bend	trans	-82.9	-3.9	-179.1	-62.3	178.1	0	0	0	113.3	D57 R59 K63	D57-L61 VanDerWaalsContact CG-N 3.33Å; D57-L61 PolarHBondContact OD1-N 2.93Å; D57-L61 PolarHBondContact OD2-N 3.06Å; R59-L61 HydrophobicContact CB-CD1 4.07Å; R59-L61 HydrophobicContact CB-CG 3.83Å; L61-K63 PolarHBondContact O-N 3.28Å
62	G	91.4	Very high	89.4	Confident	39 Å²	39	54 Å²	54	40%	0.402	28%	0.278	S	S	.	.	S	Bend	trans	71.4	17.3	-172.1	0	0	0	0	0	113.1	D57 G60	D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.18Å; D57-G62 PolarHBondContact OD2-N 3.39Å; G60-G62 VanDerWaalsContact C-N 3.27Å
63	K	92.8	Very high	89	Confident	118 Å²	118	54 Å²	54	51%	0.513	28%	0.279	S	S	.	.			trans	-146.3	140.3	-174.4	-64.6	-173	-177.8	-176.2	0	111.6	D57 L61 A97 L98 T99	D57-K63 PolarHBondContact OD2-N 3.2Å; L61-K63 PolarHBondContact O-N 3.28Å; K63-A97 HydrophobicContact CB-CB 4.23Å; K63-A97 HydrophobicContact CD-CB 4.2Å; K63-L98 CarbonylContact C-O 3.28Å; K63-L98 VanDerWaalsContact CA-O 3.25Å; K63-L98 WeakPolarHBondContact CA-O 3.45Å; K63-T99 HydrophobicContact CG-CG2 4.32Å
64	I	92	Very high	88.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141	169.7	63.4	177.3	0	0	0	109.5	F53 L56 D57 F69 A97 L98 F103	F53-I64 HydrophobicContact CD2-CD1 4.09Å; F53-I64 HydrophobicContact CD2-CG1 4.41Å; F53-I64 HydrophobicContact CD2-CG2 4.02Å; F53-I64 HydrophobicContact CE2-CB 4.35Å; F53-I64 HydrophobicContact CE2-CD1 4.05Å; F53-I64 HydrophobicContact CE2-CG1 3.9Å; F53-I64 HydrophobicContact CE2-CG2 3.73Å; F53-I64 HydrophobicContact CZ-CG2 4.08Å; L56-I64 HydrophobicContact CB-CG2 3.79Å; D57-I64 HydrophobicContact CB-CG2 3.97Å; I64-F69 HydrophobicContact CD1-CB 4.17Å; I64-F69 HydrophobicContact CD1-CD2 4.27Å; I64-A97 CarbonylContact O-C 3.57Å; I64-A97 WeakPolarHBondContact O-CA 3.45Å; I64-L98 HydrophobicContact CD1-CB 4.37Å; I64-L98 HydrophobicContact CG1-CB 3.85Å; I64-L98 HydrophobicContact CG1-CD1 4.47Å; I64-L98 PolarHBondContact N-O 3.46Å; I64-L98 PolarHBondContact O-N 2.89Å; I64-F103 HydrophobicContact CD1-CB 4.33Å; I64-F103 HydrophobicContact CD1-CD2 3.46Å; I64-F103 VanDerWaalsContact CD1-CD2 3.46Å; I64-F103 HydrophobicContact CD1-CE2 4.1Å; I64-F103 HydrophobicContact CD1-CG 4.21Å
65	P	90.1	Very high	87.9	Confident	51 Å²	51	53.2 Å²	53.2	33%	0.331	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	151.7	169.8	-19.7	31.5	0	0	0	111.7	E67 D68 F69	P65-E67 WeakPolarHBondContact CB-OE2 3.39Å; P65-E67 PolarHBondContact O-N 3.34Å; P65-D68 WeakPolarHBondContact CD-OD2 3.23Å; P65-D68 PolarHBondContact O-N 2.97Å; P65-F69 PolarHBondContact O-N 3.27Å
66	E	88.1	Confident	87.3	Confident	52 Å²	52	51.7 Å²	51.7	24%	0.243	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-37.4	174.1	157.7	163.8	-151.7	0	0	111.9	D68 F69 N70 L94 S96 L98	E66-D68 VanDerWaalsContact C-N 3.34Å; E66-D68 PolarHBondContact O-N 3.46Å; E66-F69 WeakPolarHBondContact O-CB 3.5Å; E66-F69 PolarHBondContact O-N 3.1Å; E66-F69 VanDerWaalsContact O-N 3.14Å; E66-N70 WeakPolarHBondContact CG-ND2 3.36Å; E66-N70 PolarHBondContact O-N 2.88Å; E66-N70 PolarHBondContact O-ND2 3.36Å; E66-L94 HydrophobicContact CB-CD2 4.12Å; E66-L94 HydrophobicContact CG-CD2 3.75Å; E66-L94 WeakPolarHBondContact OE1-CB 3.47Å; E66-S96 PolarHBondContact N-O 2.76Å; E66-L98 HydrophobicContact CB-CD1 4.15Å
67	E	87.3	Confident	86.6	Confident	101 Å²	101	53.8 Å²	53.8	47%	0.472	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-43	-179.1	-58	78.9	-173.5	0	0	111.5	P65 F69 N70 V71	P65-E67 WeakPolarHBondContact CB-OE2 3.39Å; P65-E67 PolarHBondContact O-N 3.34Å; E67-F69 VanDerWaalsContact C-N 3.29Å; E67-F69 PolarHBondContact O-N 3.24Å; E67-N70 PolarHBondContact O-N 3.14Å; E67-V71 WeakPolarHBondContact O-CG2 3.39Å; E67-V71 PolarHBondContact O-N 3.42Å
68	D	89.3	Confident	85.7	Confident	22 Å²	22	53.9 Å²	53.9	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-34.5	177.9	-70.7	-12.8	0	0	0	111.4	P65 E66 L72 V196	P65-D68 WeakPolarHBondContact CD-OD2 3.23Å; P65-D68 PolarHBondContact O-N 2.97Å; E66-D68 VanDerWaalsContact C-N 3.34Å; E66-D68 PolarHBondContact O-N 3.46Å; D68-L72 WeakPolarHBondContact O-CB 3.47Å; D68-L72 PolarHBondContact O-N 2.75Å; D68-V196 HydrophobicContact CB-CG1 4.22Å
69	F	89.7	Confident	84.7	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-42.3	174.5	-178.6	-104.6	0	0	0	112.1	I64 P65 E66 E67 L72 C73 L94 L98 F103 K106 L107 Y110	I64-F69 HydrophobicContact CD1-CB 4.17Å; I64-F69 HydrophobicContact CD1-CD2 4.27Å; P65-F69 PolarHBondContact O-N 3.27Å; E66-F69 WeakPolarHBondContact O-CB 3.5Å; E66-F69 PolarHBondContact O-N 3.1Å; E66-F69 VanDerWaalsContact O-N 3.14Å; E67-F69 VanDerWaalsContact C-N 3.29Å; E67-F69 PolarHBondContact O-N 3.24Å; F69-L72 WeakPolarHBondContact O-CB 3.25Å; F69-L72 PolarHBondContact O-N 3.4Å; F69-C73 PolarHBondContact O-N 3.29Å; F69-L94 HydrophobicContact CD1-CD2 4.05Å; F69-L98 HydrophobicContact CB-CD1 4.12Å; F69-L98 HydrophobicContact CB-CD2 4.27Å; F69-L98 HydrophobicContact CD1-CD2 3.96Å; F69-L98 HydrophobicContact CD2-CD2 4.08Å; F69-L98 HydrophobicContact CE1-CD2 4.32Å; F69-L98 HydrophobicContact CE2-CD2 4.41Å; F69-L98 HydrophobicContact CG-CD2 3.82Å; F69-F103 AromaticContact CD2-CD2 3.47Å; F69-F103 HydrophobicContact CD2-CD2 3.47Å; F69-F103 VanDerWaalsContact CD2-CD2 3.47Å; F69-F103 AromaticContact CD2-CE2 3.77Å; F69-F103 HydrophobicContact CD2-CE2 3.77Å; F69-F103 AromaticContact CE2-CD2 3.57Å; F69-F103 HydrophobicContact CE2-CD2 3.57Å; F69-F103 AromaticContact CE2-CE2 3.86Å; F69-F103 HydrophobicContact CE2-CE2 3.86Å; F69-F103 HydrophobicContact CE2-CG 4.5Å; F69-K106 HydrophobicContact CE1-CB 3.98Å; F69-K106 HydrophobicContact CZ-CB 3.6Å; F69-L107 HydrophobicContact CE2-CB 4.46Å; F69-Y110 HydrophobicContact CE1-CE2 4.33Å; F69-Y110 HydrophobicContact CZ-CE2 4.3Å
70	N	86.1	Confident	83.2	Confident	48 Å²	48	45.3 Å²	45.3	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-43.3	178.2	-69.9	-22.8	0	0	0	111.4	E66 E67 L72 C73 E74	E66-N70 WeakPolarHBondContact CG-ND2 3.36Å; E66-N70 PolarHBondContact O-N 2.88Å; E66-N70 PolarHBondContact O-ND2 3.36Å; E67-N70 PolarHBondContact O-N 3.14Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 2.72Å; N70-C73 WeakPolarHBondContact O-CB 3.28Å; N70-C73 PolarHBondContact O-N 3.3Å; N70-C73 VanDerWaalsContact O-N 3.09Å; N70-E74 WeakPolarHBondContact O-CG 3.37Å; N70-E74 PolarHBondContact O-N 3.05Å
71	V	86.4	Confident	81	Confident	18 Å²	18	49.8 Å²	49.8	11%	0.109	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-38.8	173.6	173.7	0	0	0	0	111.2	E67 E74 V75 V196 W199	E67-V71 WeakPolarHBondContact O-CG2 3.39Å; E67-V71 PolarHBondContact O-N 3.42Å; V71-E74 PolarHBondContact O-N 3.28Å; V71-V75 HydrophobicContact CG1-CG2 4.39Å; V71-V75 WeakPolarHBondContact O-CB 3.44Å; V71-V75 VanDerWaalsContact O-CG2 3.27Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.02Å; V71-V196 HydrophobicContact CB-CG1 4.12Å; V71-V196 HydrophobicContact CG1-CB 4.19Å; V71-V196 HydrophobicContact CG1-CG1 3.91Å; V71-V196 HydrophobicContact CG1-CG2 4.25Å; V71-W199 HydrophobicContact CG1-CB 3.47Å; V71-W199 VanDerWaalsContact CG1-CB 3.47Å; V71-W199 HydrophobicContact CG1-CG 4.2Å
72	L	87.4	Confident	78.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-48	172.3	178	71.6	0	0	0	110.9	I52 L56 D68 F69 N70 E74 V75 L76 F103 V196	I52-L72 HydrophobicContact CG2-CD2 4.37Å; L56-L72 HydrophobicContact CD1-CD2 4.04Å; D68-L72 WeakPolarHBondContact O-CB 3.47Å; D68-L72 PolarHBondContact O-N 2.75Å; F69-L72 WeakPolarHBondContact O-CB 3.25Å; F69-L72 PolarHBondContact O-N 3.4Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 2.72Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-E74 PolarHBondContact O-N 3.26Å; L72-V75 PolarHBondContact O-N 3.46Å; L72-L76 HydrophobicContact CD1-CD1 4.12Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CD2-CD1 4.41Å; L72-L76 HydrophobicContact CG-CD1 3.91Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 VanDerWaalsContact O-CG 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 3.38Å; L72-F103 HydrophobicContact CD2-CE2 3.56Å; L72-F103 HydrophobicContact CD2-CZ 3.92Å; L72-V196 HydrophobicContact CB-CG2 3.99Å; L72-V196 HydrophobicContact CD1-CG2 4.09Å
73	C	83.9	Confident	76	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.027	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-42.6	177.3	-74.2	0	0	0	0	112.2	F69 N70 L76 G77 L78	F69-C73 PolarHBondContact O-N 3.29Å; N70-C73 WeakPolarHBondContact O-CB 3.28Å; N70-C73 PolarHBondContact O-N 3.3Å; N70-C73 VanDerWaalsContact O-N 3.09Å; C73-L76 CarbonylContact O-C 3.57Å; C73-L76 PolarHBondContact O-N 2.85Å; C73-G77 PolarHBondContact O-N 2.76Å; C73-G77 VanDerWaalsContact O-N 3.13Å; C73-L78 HydrophobicContact CB-CB 4.26Å; C73-L78 PolarHBondContact O-N 2.86Å
74	E	80.8	Confident	73.5	Confident	92 Å²	92	53.1 Å²	53.1	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-47.6	173.8	-70.5	173	-169.4	0	0	112	N70 V71 L72 L76 G77	N70-E74 WeakPolarHBondContact O-CG 3.37Å; N70-E74 PolarHBondContact O-N 3.05Å; V71-E74 PolarHBondContact O-N 3.28Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-E74 PolarHBondContact O-N 3.26Å; E74-L76 PolarHBondContact O-N 3.48Å; E74-G77 PolarHBondContact O-N 2.92Å
75	V	81.4	Confident	71.2	Confident	15 Å²	15	62.6 Å²	62.6	9%	0.091	34%	0.341	C	S	.	.	H	α-helix	trans	-59.7	-34	177.2	165.4	0	0	0	0	111.8	T17 V71 L72 G77 L192 Q195 W199	T17-V75 HydrophobicContact CG2-CG1 3.55Å; V71-V75 HydrophobicContact CG1-CG2 4.39Å; V71-V75 WeakPolarHBondContact O-CB 3.44Å; V71-V75 VanDerWaalsContact O-CG2 3.27Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.02Å; L72-V75 PolarHBondContact O-N 3.46Å; V75-G77 VanDerWaalsContact C-N 3.31Å; V75-L192 HydrophobicContact CG1-CD2 4.25Å; V75-Q195 HydrophobicContact CG1-CG 4.18Å; V75-Q195 HydrophobicContact CG2-CG 4.05Å; V75-W199 HydrophobicContact CG2-CG 4.42Å
76	L	78	Confident	69	Low	13 Å²	13	66.6 Å²	66.6	7%	0.068	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.8	176.2	-64.2	-179.1	0	0	0	113.5	I20 V21 L72 C73 E74 L78 L107 L192	I20-L76 HydrophobicContact CG2-CD1 4.05Å; I20-L76 HydrophobicContact CG2-CD2 3.35Å; I20-L76 HydrophobicContact CG2-CG 4.33Å; V21-L76 HydrophobicContact CG2-CB 4.31Å; V21-L76 HydrophobicContact CG2-CD2 4.33Å; L72-L76 HydrophobicContact CD1-CD1 4.12Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CD2-CD1 4.41Å; L72-L76 HydrophobicContact CG-CD1 3.91Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 VanDerWaalsContact O-CG 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 3.38Å; C73-L76 CarbonylContact O-C 3.57Å; C73-L76 PolarHBondContact O-N 2.85Å; E74-L76 PolarHBondContact O-N 3.48Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 HydrophobicContact CB-CD1 3.9Å; L76-L78 HydrophobicContact CB-CG 3.83Å; L76-L78 HydrophobicContact CD1-CD1 4.03Å; L76-L107 HydrophobicContact CD1-CD1 3.96Å; L76-L192 HydrophobicContact CD2-CD2 4.29Å
77	G	74.9	Confident	66.8	Low	50 Å²	50	66 Å²	66	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	31.7	-176.1	0	0	0	0	0	113.1	C73 E74 V75	C73-G77 PolarHBondContact O-N 2.76Å; C73-G77 VanDerWaalsContact O-N 3.13Å; E74-G77 PolarHBondContact O-N 2.92Å; V75-G77 VanDerWaalsContact C-N 3.31Å
78	L	72.8	Confident	64.6	Low	15 Å²	15	63 Å²	63	8%	0.079	35%	0.35	C	S	.	.			trans	-99.1	1.3	177.7	-58.2	177.4	0	0	0	112.8	C73 L76 L107 Y110 F111	C73-L78 HydrophobicContact CB-CB 4.26Å; C73-L78 PolarHBondContact O-N 2.86Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 HydrophobicContact CB-CD1 3.9Å; L76-L78 HydrophobicContact CB-CG 3.83Å; L76-L78 HydrophobicContact CD1-CD1 4.03Å; L78-L107 HydrophobicContact CD1-CD1 3.73Å; L78-Y110 HydrophobicContact CB-CD1 4.41Å; L78-Y110 HydrophobicContact CD1-CD2 4.5Å; L78-Y110 HydrophobicContact CD1-CG 4.47Å; L78-F111 HydrophobicContact CD1-CE2 3.83Å; L78-F111 HydrophobicContact CD1-CZ 4.15Å; L78-F111 HydrophobicContact CD2-CE1 4.45Å; L78-F111 HydrophobicContact CD2-CE2 4.02Å; L78-F111 HydrophobicContact CD2-CZ 3.74Å
79	S	62.8	Low	62.4	Low	46 Å²	46	64.9 Å²	64.9	32%	0.322	38%	0.375	S	S	.	.	S	Bend	trans	-66.3	150.5	178.5	46.4	0	0	0	0	112.6	D81	S79-D81 PolarHBondContact O-N 3.35Å
80	E	54.5	Low	60.5	Low	89 Å²	89	66.8 Å²	66.8	42%	0.416	39%	0.386	S	S	.	.	S	Bend	trans	-69.6	25.5	-168.2	-56.6	-159.6	118.2	0	0	116.1	S82 S87 A88 L91	E80-S82 PolarHBondContact O-N 2.95Å; E80-S87 PolarHBondContact OE1-OG 2.73Å; E80-A88 WeakPolarHBondContact OE1-CA 3.48Å; E80-A88 PolarHBondContact OE1-N 2.68Å; E80-L91 HydrophobicContact CG-CD1 4.15Å
81	D	41.8	Very low	58.8	Low	147 Å²	147	66.2 Å²	66.2	79%	0.786	38%	0.383	S	S	*	.			trans	-80.9	25.4	-178.4	-63.7	-42.2	0	0	0	113.4	S79	S79-D81 PolarHBondContact O-N 3.35Å
82	S	38.9	Very low	57.2	Low	83 Å²	83	70.8 Å²	70.8	58%	0.58	41%	0.407	S	S	*	.	S	Bend	trans	-122.6	98.9	173	-61.8	0	0	0	0	108	E80 S84	E80-S82 PolarHBondContact O-N 2.95Å; S82-S84 WeakPolarHBondContact O-CB 3.18Å; S82-S84 PolarHBondContact O-N 3.38Å
83	E	36.9	Very low	55.7	Low	208 Å²	208	77.6 Å²	77.6	97%	0.972	44%	0.443	S	S	*	.			trans	-27.7	69.3	166.2	-60.7	-100.8	145.2	0	0	114.6
84	S	39.5	Very low	54.6	Low	60 Å²	60	78.5 Å²	78.5	42%	0.42	45%	0.447	S	S	.	.			trans	-145.2	94.8	-179.6	-171.8	0	0	0	0	105.6	S82 E86 S87	S82-S84 WeakPolarHBondContact O-CB 3.18Å; S82-S84 PolarHBondContact O-N 3.38Å; S84-E86 PolarHBondContact O-N 2.92Å; S84-S87 PolarHBondContact O-N 2.9Å
85	E	44.8	Very low	54.3	Low	199 Å²	199	76.8 Å²	76.8	93%	0.93	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	16.4	-175.6	-62.5	-175	145.8	0	0	115.2
86	E	43.3	Very low	54.2	Low	135 Å²	135	80.9 Å²	80.9	63%	0.631	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-6.3	-177.5	-63.4	-171.5	159.7	0	0	114	S84 C117	S84-E86 PolarHBondContact O-N 2.92Å; E86-C117 PolarHBondContact OE2-SG 3.04Å
87	S	42.1	Very low	54.7	Low	39 Å²	39	81.8 Å²	81.8	27%	0.273	48%	0.483	S	S	.	.	S	Bend	trans	-80.7	-26.3	172.5	72.9	0	0	0	0	113.8	E80 S84 G89 V90	E80-S87 PolarHBondContact OE1-OG 2.73Å; S84-S87 PolarHBondContact O-N 2.9Å; S87-G89 PolarHBondContact O-N 2.64Å; S87-G89 VanDerWaalsContact O-N 3.15Å; S87-V90 PolarHBondContact O-N 2.91Å; S87-V90 VanDerWaalsContact O-N 3.11Å
88	A	41.5	Very low	55.4	Low	40 Å²	40	79.4 Å²	79.4	33%	0.331	46%	0.459	S	S	.	.	H	α-helix	trans	-56.6	-35.8	-172.1	0	0	0	0	0	113.1	E80 V90 L91 D92	E80-A88 WeakPolarHBondContact OE1-CA 3.48Å; E80-A88 PolarHBondContact OE1-N 2.68Å; A88-V90 VanDerWaalsContact C-N 3.26Å; A88-V90 PolarHBondContact O-N 3.11Å; A88-L91 PolarHBondContact O-N 3.03Å; A88-D92 PolarHBondContact O-N 2.76Å
89	G	43.7	Very low	56.4	Low	61 Å²	61	80.8 Å²	80.8	63%	0.629	47%	0.468	S	S	*	.	H	α-helix	trans	-69.7	-15.5	-177.7	0	0	0	0	0	115.4	S87	S87-G89 PolarHBondContact O-N 2.64Å; S87-G89 VanDerWaalsContact O-N 3.15Å
90	V	49	Very low	57.8	Low	40 Å²	40	81.5 Å²	81.5	24%	0.242	47%	0.465	C	S	.	.	H	α-helix	trans	-82.9	-23.1	178.1	-178.7	0	0	0	0	111.3	S87 A88 K106	S87-V90 PolarHBondContact O-N 2.91Å; S87-V90 VanDerWaalsContact O-N 3.11Å; A88-V90 VanDerWaalsContact C-N 3.26Å; A88-V90 PolarHBondContact O-N 3.11Å; V90-K106 HydrophobicContact CG1-CD 4.21Å; V90-K106 PolarHBondContact O-NZ 2.95Å
91	L	50.4	Low	59.5	Low	36 Å²	36	85.9 Å²	85.9	19%	0.188	48%	0.478	C	S	.	.	H	α-helix	trans	-95.5	-22	178.6	-79.4	173.2	0	0	0	114.1	E80 A88 N93 L94 Y110	E80-L91 HydrophobicContact CG-CD1 4.15Å; A88-L91 PolarHBondContact O-N 3.03Å; L91-N93 PolarHBondContact O-N 3.48Å; L91-L94 PolarHBondContact O-N 2.67Å; L91-Y110 WeakPolarHBondContact CD1-OH 3.29Å; L91-Y110 VanDerWaalsContact CD2-OH 3.29Å; L91-Y110 WeakPolarHBondContact CD2-OH 3.47Å; L91-Y110 WeakPolarHBondContact CG-OH 3.29Å
92	D	52.5	Low	61.8	Low	114 Å²	114	81.8 Å²	81.8	61%	0.61	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-0.4	-166.8	-77.6	-24.2	0	0	0	117.9	A88	A88-D92 PolarHBondContact O-N 2.76Å
93	N	55.3	Low	64.3	Low	143 Å²	143	77.8 Å²	77.8	77%	0.765	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.7	55.9	174.8	-70.1	-84.8	0	0	0	111.5	L91	L91-N93 PolarHBondContact O-N 3.48Å
94	L	61.3	Low	66.8	Low	23 Å²	23	70 Å²	70	12%	0.12	39%	0.39	C	S	.	.			trans	-80.9	131.6	174.8	-151.6	62.9	0	0	0	110.9	E66 F69 L91 L98 K106	E66-L94 HydrophobicContact CB-CD2 4.12Å; E66-L94 HydrophobicContact CG-CD2 3.75Å; E66-L94 WeakPolarHBondContact OE1-CB 3.47Å; F69-L94 HydrophobicContact CD1-CD2 4.05Å; L91-L94 PolarHBondContact O-N 2.67Å; L94-L98 HydrophobicContact CD1-CD1 4.48Å; L94-L98 HydrophobicContact CD1-CD2 3.91Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CD2-CD1 3.8Å; L94-L98 HydrophobicContact CD2-CD2 4.19Å; L94-L98 HydrophobicContact CD2-CG 4.31Å; L94-L98 HydrophobicContact CG-CD1 4.03Å; L94-L98 HydrophobicContact CG-CD2 4.34Å; L94-L98 HydrophobicContact CG-CG 4.2Å; L94-K106 HydrophobicContact CD1-CD 4.01Å; L94-K106 VanDerWaalsContact CD1-CE 3.47Å; L94-K106 HydrophobicContact CD1-CG 3.91Å
95	P	74.8	Confident	69	Low	57 Å²	57	70.1 Å²	70.1	37%	0.37	39%	0.394	S	S	.	.			trans	-63.1	144.4	167.1	-15.3	28.7	0	0	0	109.4	A97	P95-A97 PolarHBondContact O-N 3.34Å
96	S	79.6	Confident	71	Confident	100 Å²	100	62.8 Å²	62.8	70%	0.699	36%	0.359	S	S	*	.	S	Bend	trans	-56.8	-12.9	176.8	58.4	0	0	0	0	115	E66	E66-S96 PolarHBondContact N-O 2.76Å
97	A	88.1	Confident	72.9	Confident	33 Å²	33	56.4 Å²	56.4	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132.4	166.7	0	0	0	0	0	111.3	K63 I64 P95	K63-A97 HydrophobicContact CB-CB 4.23Å; K63-A97 HydrophobicContact CD-CB 4.2Å; I64-A97 CarbonylContact O-C 3.57Å; I64-A97 WeakPolarHBondContact O-CA 3.45Å; P95-A97 PolarHBondContact O-N 3.34Å
98	L	89.2	Confident	74.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.5	-177.4	-62.1	79.3	0	0	0	111	K63 I64 E66 F69 L94 H102	K63-L98 CarbonylContact C-O 3.28Å; K63-L98 VanDerWaalsContact CA-O 3.25Å; K63-L98 WeakPolarHBondContact CA-O 3.45Å; I64-L98 HydrophobicContact CD1-CB 4.37Å; I64-L98 HydrophobicContact CG1-CB 3.85Å; I64-L98 HydrophobicContact CG1-CD1 4.47Å; I64-L98 PolarHBondContact N-O 3.46Å; I64-L98 PolarHBondContact O-N 2.89Å; E66-L98 HydrophobicContact CB-CD1 4.15Å; F69-L98 HydrophobicContact CB-CD1 4.12Å; F69-L98 HydrophobicContact CB-CD2 4.27Å; F69-L98 HydrophobicContact CD1-CD2 3.96Å; F69-L98 HydrophobicContact CD2-CD2 4.08Å; F69-L98 HydrophobicContact CE1-CD2 4.32Å; F69-L98 HydrophobicContact CE2-CD2 4.41Å; F69-L98 HydrophobicContact CG-CD2 3.82Å; L94-L98 HydrophobicContact CD1-CD1 4.48Å; L94-L98 HydrophobicContact CD1-CD2 3.91Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CD2-CD1 3.8Å; L94-L98 HydrophobicContact CD2-CD2 4.19Å; L94-L98 HydrophobicContact CD2-CG 4.31Å; L94-L98 HydrophobicContact CG-CD1 4.03Å; L94-L98 HydrophobicContact CG-CD2 4.34Å; L94-L98 HydrophobicContact CG-CG 4.2Å; L98-H102 HydrophobicContact CB-CB 4.21Å; L98-H102 HydrophobicContact CG-CB 4.5Å
99	T	93.9	Very high	76.6	Confident	44 Å²	44	53.6 Å²	53.6	27%	0.27	31%	0.31	S	S	.	.			trans	-82.2	165.6	163.2	65.8	0	0	0	0	110.2	K63 R101 H102 F103	K63-T99 HydrophobicContact CG-CG2 4.32Å; T99-R101 PolarHBondContact O-N 3.19Å; T99-R101 VanDerWaalsContact O-N 3.11Å; T99-H102 PolarHBondContact O-N 3.26Å; T99-H102 PolarHBondContact OG1-ND1 3.39Å; T99-F103 PolarHBondContact O-N 2.8Å
100	F	92.2	Very high	78	Confident	60 Å²	60	52.1 Å²	52.1	26%	0.263	29%	0.285	S	S	.	.	H	α-helix	trans	-50.5	-40.4	177.1	177.5	-115.4	0	0	0	113.2	L49 Q50 F53 H102 F103 H104	L49-F100 HydrophobicContact CB-CE2 4.15Å; L49-F100 HydrophobicContact CB-CZ 4.45Å; Q50-F100 VanDerWaalsContact CA-CE2 3.46Å; Q50-F100 HydrophobicContact CB-CE2 3.85Å; Q50-F100 HydrophobicContact CB-CZ 3.83Å; Q50-F100 HydrophobicContact CG-CE2 4.46Å; Q50-F100 HydrophobicContact CG-CZ 4.47Å; F53-F100 HydrophobicContact CB-CD2 3.82Å; F53-F100 HydrophobicContact CB-CE2 4.38Å; F53-F100 HydrophobicContact CD1-CB 4.14Å; F53-F100 HydrophobicContact CD1-CD2 4.35Å; F53-F100 HydrophobicContact CD2-CB 4.29Å; F53-F100 HydrophobicContact CD2-CD2 4.21Å; F53-F100 HydrophobicContact CE1-CB 4.15Å; F53-F100 HydrophobicContact CE2-CB 4.27Å; F53-F100 HydrophobicContact CG-CB 4.23Å; F53-F100 AromaticContact CG-CD2 3.86Å; F53-F100 HydrophobicContact CG-CD2 3.86Å; F53-F100 HydrophobicContact CZ-CB 4.21Å; F100-H102 PolarHBondContact O-N 3.42Å; F100-F103 HydrophobicContact CD2-CD1 4.17Å; F100-F103 HydrophobicContact CE2-CD1 4.33Å; F100-F103 WeakPolarHBondContact O-CB 3.44Å; F100-F103 PolarHBondContact O-N 3.33Å; F100-H104 VanDerWaalsContact O-CB 3.25Å; F100-H104 WeakPolarHBondContact O-CB 3.45Å; F100-H104 PolarHBondContact O-N 3.45Å
101	R	91	Very high	78.9	Confident	181 Å²	181	50.6 Å²	50.6	68%	0.683	28%	0.276	S	S	*	.	H	α-helix	trans	-61.3	-42.2	176.8	-173	-177	67.5	-173	1.1	112.7	T99 A105	T99-R101 PolarHBondContact O-N 3.19Å; T99-R101 VanDerWaalsContact O-N 3.11Å; R101-A105 VanDerWaalsContact O-CB 3.31Å; R101-A105 WeakPolarHBondContact O-CB 3.29Å; R101-A105 PolarHBondContact O-N 3.39Å; R101-A105 VanDerWaalsContact O-N 3.08Å
102	H	89.9	Confident	79.5	Confident	61 Å²	61	52.5 Å²	52.5	28%	0.282	29%	0.288	S	S	.	.	H	α-helix	trans	-73.1	-41.9	178.9	-63.3	106.9	0	0	0	111.1	L98 T99 F100 H104 A105 K106	L98-H102 HydrophobicContact CB-CB 4.21Å; L98-H102 HydrophobicContact CG-CB 4.5Å; T99-H102 PolarHBondContact O-N 3.26Å; T99-H102 PolarHBondContact OG1-ND1 3.39Å; F100-H102 PolarHBondContact O-N 3.42Å; H102-H104 PolarHBondContact O-N 3.28Å; H102-A105 PolarHBondContact O-N 3.48Å; H102-K106 WeakPolarHBondContact O-CB 3.22Å; H102-K106 VanDerWaalsContact O-CG 3.27Å; H102-K106 WeakPolarHBondContact O-CG 3.41Å; H102-K106 PolarHBondContact O-N 3.46Å
103	F	91.3	Very high	79.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-53.4	-53.3	173	170.3	-98.3	0	0	0	111.5	L49 I52 F53 L56 I64 F69 L72 T99 F100 K106 L107	L49-F103 HydrophobicContact CB-CE1 4.4Å; L49-F103 HydrophobicContact CD2-CE1 4.35Å; I52-F103 HydrophobicContact CG2-CZ 3.99Å; F53-F103 HydrophobicContact CB-CD1 4.2Å; F53-F103 HydrophobicContact CB-CE1 4.22Å; F53-F103 HydrophobicContact CD2-CB 3.8Å; F53-F103 AromaticContact CD2-CD1 3.99Å; F53-F103 HydrophobicContact CD2-CD1 3.99Å; F53-F103 HydrophobicContact CD2-CD2 4.27Å; F53-F103 AromaticContact CD2-CG 3.76Å; F53-F103 HydrophobicContact CD2-CG 3.76Å; F53-F103 HydrophobicContact CE2-CB 4.08Å; F53-F103 HydrophobicContact CE2-CG 4.48Å; L56-F103 HydrophobicContact CD1-CE2 4.31Å; I64-F103 HydrophobicContact CD1-CB 4.33Å; I64-F103 HydrophobicContact CD1-CD2 3.46Å; I64-F103 VanDerWaalsContact CD1-CD2 3.46Å; I64-F103 HydrophobicContact CD1-CE2 4.1Å; I64-F103 HydrophobicContact CD1-CG 4.21Å; F69-F103 AromaticContact CD2-CD2 3.47Å; F69-F103 HydrophobicContact CD2-CD2 3.47Å; F69-F103 VanDerWaalsContact CD2-CD2 3.47Å; F69-F103 AromaticContact CD2-CE2 3.77Å; F69-F103 HydrophobicContact CD2-CE2 3.77Å; F69-F103 AromaticContact CE2-CD2 3.57Å; F69-F103 HydrophobicContact CE2-CD2 3.57Å; F69-F103 AromaticContact CE2-CE2 3.86Å; F69-F103 HydrophobicContact CE2-CE2 3.86Å; F69-F103 HydrophobicContact CE2-CG 4.5Å; L72-F103 HydrophobicContact CD2-CE2 3.56Å; L72-F103 HydrophobicContact CD2-CZ 3.92Å; T99-F103 PolarHBondContact O-N 2.8Å; F100-F103 HydrophobicContact CD2-CD1 4.17Å; F100-F103 HydrophobicContact CE2-CD1 4.33Å; F100-F103 WeakPolarHBondContact O-CB 3.44Å; F100-F103 PolarHBondContact O-N 3.33Å; F103-K106 PolarHBondContact O-N 3.06Å; F103-L107 HydrophobicContact CE1-CD2 4.29Å; F103-L107 HydrophobicContact CZ-CD2 4.03Å; F103-L107 WeakPolarHBondContact O-CB 3.28Å; F103-L107 PolarHBondContact O-N 2.93Å
104	H	89.6	Confident	79.2	Confident	45 Å²	45	47 Å²	47	21%	0.208	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-52.4	179.2	-174.9	-73.5	0	0	0	111.5	D46 L49 F100 H102 K106 L107 C108	D46-H104 IonicContact OD1-CD2 2.7Å; D46-H104 IonicContact OD1-CE1 3.61Å; D46-H104 IonicContact OD1-NE2 3.74Å; D46-H104 PolarHBondContact OD1-NE2 3.49Å; L49-H104 WeakPolarHBondContact CD1-CD2 3.34Å; F100-H104 VanDerWaalsContact O-CB 3.25Å; F100-H104 WeakPolarHBondContact O-CB 3.45Å; F100-H104 PolarHBondContact O-N 3.45Å; H102-H104 PolarHBondContact O-N 3.28Å; H104-K106 VanDerWaalsContact C-N 3.33Å; H104-K106 PolarHBondContact O-N 2.93Å; H104-L107 PolarHBondContact O-N 2.95Å; H104-C108 VanDerWaalsContact O-CB 3.28Å; H104-C108 WeakPolarHBondContact O-CB 3.42Å; H104-C108 PolarHBondContact O-N 3.44Å; H104-C108 PolarHBondContact O-SG 3.2Å; H104-C108 VanDerWaalsContact O-SG 3.36Å
105	A	86.5	Confident	78.4	Confident	61 Å²	61	48.3 Å²	48.3	50%	0.504	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-40.8	-179.1	0	0	0	0	0	112.9	R101 H102 G109	R101-A105 VanDerWaalsContact O-CB 3.31Å; R101-A105 WeakPolarHBondContact O-CB 3.29Å; R101-A105 PolarHBondContact O-N 3.39Å; R101-A105 VanDerWaalsContact O-N 3.08Å; H102-A105 PolarHBondContact O-N 3.48Å; A105-G109 PolarHBondContact O-N 2.96Å
106	K	85.5	Confident	76.9	Confident	45 Å²	45	48.7 Å²	48.7	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-69.8	-48	178.4	-70.3	-70.5	-179.5	177.7	0	111.6	F69 V90 L94 H102 F103 H104 C108 G109 Y110	F69-K106 HydrophobicContact CE1-CB 3.98Å; F69-K106 HydrophobicContact CZ-CB 3.6Å; V90-K106 HydrophobicContact CG1-CD 4.21Å; V90-K106 PolarHBondContact O-NZ 2.95Å; L94-K106 HydrophobicContact CD1-CD 4.01Å; L94-K106 VanDerWaalsContact CD1-CE 3.47Å; L94-K106 HydrophobicContact CD1-CG 3.91Å; H102-K106 WeakPolarHBondContact O-CB 3.22Å; H102-K106 VanDerWaalsContact O-CG 3.27Å; H102-K106 WeakPolarHBondContact O-CG 3.41Å; H102-K106 PolarHBondContact O-N 3.46Å; F103-K106 PolarHBondContact O-N 3.06Å; H104-K106 VanDerWaalsContact C-N 3.33Å; H104-K106 PolarHBondContact O-N 2.93Å; K106-C108 PolarHBondContact O-N 3.38Å; K106-G109 WeakPolarHBondContact O-CA 3.38Å; K106-G109 PolarHBondContact O-N 3.3Å; K106-G109 VanDerWaalsContact O-N 3.11Å; K106-Y110 WeakPolarHBondContact O-CD2 3.16Å; K106-Y110 PolarHBondContact O-N 2.83Å
107	L	84.3	Confident	74.9	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-46.3	-179.2	-171	63.1	0	0	0	111.1	L24 L49 F69 L76 L78 F103 H104 G109 Y110 F111	L24-L107 HydrophobicContact CD1-CD2 4.22Å; L24-L107 HydrophobicContact CD1-CG 4.01Å; L49-L107 HydrophobicContact CD2-CD2 3.46Å; L49-L107 VanDerWaalsContact CD2-CD2 3.46Å; F69-L107 HydrophobicContact CE2-CB 4.46Å; L76-L107 HydrophobicContact CD1-CD1 3.96Å; L78-L107 HydrophobicContact CD1-CD1 3.73Å; F103-L107 HydrophobicContact CE1-CD2 4.29Å; F103-L107 HydrophobicContact CZ-CD2 4.03Å; F103-L107 WeakPolarHBondContact O-CB 3.28Å; F103-L107 PolarHBondContact O-N 2.93Å; H104-L107 PolarHBondContact O-N 2.95Å; L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 3.48Å; L107-Y110 PolarHBondContact O-N 3.37Å; L107-F111 VanDerWaalsContact O-CD2 3.26Å; L107-F111 WeakPolarHBondContact O-CD2 3.49Å
108	C	82.1	Confident	72.6	Confident	6 Å²	6	51 Å²	51	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-34.2	174.1	-69.8	0	0	0	0	112.8	Y28 H104 K106 Y110 F111 T112	Y28-C108 HydrophobicContact CE2-CB 4.17Å; Y28-C108 VanDerWaalsContact OH-CB 3.27Å; Y28-C108 WeakPolarHBondContact OH-CB 3.29Å; Y28-C108 PolarHBondContact OH-SG 2.96Å; Y28-C108 VanDerWaalsContact OH-SG 3.38Å; H104-C108 VanDerWaalsContact O-CB 3.28Å; H104-C108 WeakPolarHBondContact O-CB 3.42Å; H104-C108 PolarHBondContact O-N 3.44Å; H104-C108 PolarHBondContact O-SG 3.2Å; H104-C108 VanDerWaalsContact O-SG 3.36Å; K106-C108 PolarHBondContact O-N 3.38Å; C108-Y110 VanDerWaalsContact C-N 3.32Å; C108-Y110 PolarHBondContact O-N 2.94Å; C108-F111 PolarHBondContact O-N 3.46Å; C108-F111 VanDerWaalsContact O-N 3.11Å; C108-T112 PolarHBondContact O-N 3.48Å; C108-T112 PolarHBondContact O-OG1 2.73Å
109	G	78.4	Confident	70.2	Confident	15 Å²	15	60 Å²	60	16%	0.155	32%	0.32	C	S	.	.	H	α-helix	trans	-56.1	-42.3	175	0	0	0	0	0	112.9	A105 K106 L107 F111 T112 T113	A105-G109 PolarHBondContact O-N 2.96Å; K106-G109 WeakPolarHBondContact O-CA 3.38Å; K106-G109 PolarHBondContact O-N 3.3Å; K106-G109 VanDerWaalsContact O-N 3.11Å; L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 3.48Å; G109-F111 PolarHBondContact O-N 2.9Å; G109-T112 PolarHBondContact O-N 3.21Å; G109-T113 PolarHBondContact O-N 3.27Å; G109-T113 PolarHBondContact O-OG1 2.99Å
110	Y	73.3	Confident	67.7	Low	29 Å²	29	66.3 Å²	66.3	11%	0.114	35%	0.347	C	S	.	.	H	α-helix	trans	-56.1	-35.3	175.6	-77.7	-75.7	0	0	0	113.3	F69 L78 L91 K106 L107 C108 K114	F69-Y110 HydrophobicContact CE1-CE2 4.33Å; F69-Y110 HydrophobicContact CZ-CE2 4.3Å; L78-Y110 HydrophobicContact CB-CD1 4.41Å; L78-Y110 HydrophobicContact CD1-CD2 4.5Å; L78-Y110 HydrophobicContact CD1-CG 4.47Å; L91-Y110 WeakPolarHBondContact CD1-OH 3.29Å; L91-Y110 VanDerWaalsContact CD2-OH 3.29Å; L91-Y110 WeakPolarHBondContact CD2-OH 3.47Å; L91-Y110 WeakPolarHBondContact CG-OH 3.29Å; K106-Y110 WeakPolarHBondContact O-CD2 3.16Å; K106-Y110 PolarHBondContact O-N 2.83Å; L107-Y110 PolarHBondContact O-N 3.37Å; C108-Y110 VanDerWaalsContact C-N 3.32Å; C108-Y110 PolarHBondContact O-N 2.94Å; Y110-K114 WeakPolarHBondContact O-CB 3.39Å; Y110-K114 PolarHBondContact O-N 2.81Å
111	F	67.1	Low	65.2	Low	9 Å²	9	70 Å²	70	4%	0.039	37%	0.369	C	S	.	.	H	α-helix	trans	-87	-19.9	179.2	-64.7	-95.2	0	0	0	112.5	V21 L24 Y28 L30 L78 L107 C108 G109 A115	V21-F111 HydrophobicContact CB-CE1 4.48Å; V21-F111 HydrophobicContact CB-CZ 4.38Å; V21-F111 HydrophobicContact CG1-CE1 3.95Å; V21-F111 HydrophobicContact CG1-CZ 4.18Å; V21-F111 HydrophobicContact CG2-CZ 4.33Å; L24-F111 HydrophobicContact CB-CD1 3.78Å; L24-F111 HydrophobicContact CB-CD2 3.84Å; L24-F111 HydrophobicContact CB-CE1 3.84Å; L24-F111 HydrophobicContact CB-CE2 3.94Å; L24-F111 HydrophobicContact CB-CG 3.77Å; L24-F111 HydrophobicContact CB-CZ 3.93Å; L24-F111 HydrophobicContact CD1-CD2 3.7Å; L24-F111 HydrophobicContact CD1-CE2 3.34Å; L24-F111 HydrophobicContact CD1-CG 4.5Å; L24-F111 HydrophobicContact CD1-CZ 3.85Å; L24-F111 HydrophobicContact CG-CD2 4.29Å; L24-F111 HydrophobicContact CG-CE2 4.24Å; Y28-F111 HydrophobicContact CD2-CB 3.95Å; Y28-F111 HydrophobicContact CG-CB 4.44Å; L30-F111 HydrophobicContact CD1-CB 4.29Å; L30-F111 HydrophobicContact CD1-CD1 4.24Å; L30-F111 WeakPolarHBondContact CD1-O 3.49Å; L78-F111 HydrophobicContact CD1-CE2 3.83Å; L78-F111 HydrophobicContact CD1-CZ 4.15Å; L78-F111 HydrophobicContact CD2-CE1 4.45Å; L78-F111 HydrophobicContact CD2-CE2 4.02Å; L78-F111 HydrophobicContact CD2-CZ 3.74Å; L107-F111 VanDerWaalsContact O-CD2 3.26Å; L107-F111 WeakPolarHBondContact O-CD2 3.49Å; C108-F111 PolarHBondContact O-N 3.46Å; C108-F111 VanDerWaalsContact O-N 3.11Å; G109-F111 PolarHBondContact O-N 2.9Å; F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.34Å
112	T	63	Low	62.5	Low	75 Å²	75	67.1 Å²	67.1	46%	0.46	37%	0.368	S	S	.	.	H	α-helix	trans	-82.2	-43	175.2	-52.5	0	0	0	0	111.5	C108 G109 A115 G116	C108-T112 PolarHBondContact O-N 3.48Å; C108-T112 PolarHBondContact O-OG1 2.73Å; G109-T112 PolarHBondContact O-N 3.21Å; T112-A115 WeakPolarHBondContact O-CB 3.36Å; T112-A115 PolarHBondContact O-N 2.72Å; T112-G116 PolarHBondContact O-N 3.43Å
113	T	53.5	Low	59.8	Low	52 Å²	52	74.8 Å²	74.8	32%	0.319	39%	0.394	S	S	.	.	H	α-helix	trans	-69.9	-39.2	175.7	-50.6	0	0	0	0	111.2	G109 A115 G116 C117	G109-T113 PolarHBondContact O-N 3.27Å; G109-T113 PolarHBondContact O-OG1 2.99Å; T113-A115 PolarHBondContact O-N 3.04Å; T113-G116 PolarHBondContact O-N 2.98Å; T113-G116 VanDerWaalsContact O-N 3.08Å; T113-C117 PolarHBondContact O-N 3.48Å
114	K	49.6	Very low	57.2	Low	89 Å²	89	82.4 Å²	82.4	39%	0.387	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.7	174.5	-162.5	167.4	-171.8	164.8	0	113.5	Y110	Y110-K114 WeakPolarHBondContact O-CB 3.39Å; Y110-K114 PolarHBondContact O-N 2.81Å
115	A	44.5	Very low	54.7	Low	51 Å²	51	87.8 Å²	87.8	42%	0.421	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-15.5	168.7	0	0	0	0	0	114.2	L30 F111 T112 T113	L30-A115 HydrophobicContact CD1-CB 4.27Å; L30-A115 HydrophobicContact CD2-CB 3.35Å; L30-A115 HydrophobicContact CG-CB 3.97Å; F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.34Å; T112-A115 WeakPolarHBondContact O-CB 3.36Å; T112-A115 PolarHBondContact O-N 2.72Å; T113-A115 PolarHBondContact O-N 3.04Å
116	G	41.6	Very low	52.6	Low	66 Å²	66	90.9 Å²	90.9	68%	0.68	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-24.5	178.4	0	0	0	0	0	115.4	T112 T113	T112-G116 PolarHBondContact O-N 3.43Å; T113-G116 PolarHBondContact O-N 2.98Å; T113-G116 VanDerWaalsContact O-N 3.08Å
117	C	38.7	Very low	50.2	Low	56 Å²	56	90.7 Å²	90.7	38%	0.378	49%	0.486	S	S	.	.	S	Bend	trans	-111.7	7.7	-164.4	-59.7	0	0	0	0	116.3	E86 T113	E86-C117 PolarHBondContact OE2-SG 3.04Å; T113-C117 PolarHBondContact O-N 3.48Å
118	Q	40.5	Very low	48.3	Very low	125 Å²	125	97.1 Å²	97.1	58%	0.584	53%	0.526	S	S	*	.	S	Bend	trans	-133.6	86.1	170.3	-104.9	-178.6	-16.3	0	0	109.9
119	Y	38.4	Very low	46.4	Very low	188 Å²	188	103.2 Å²	103.2	74%	0.737	56%	0.558	S	S	*	*			trans	174.7	47.4	137.7	-92.3	-71.2	0	0	0	110.5
120	E	40.2	Very low	44.9	Very low	178 Å²	178	106.4 Å²	106.4	83%	0.832	58%	0.578	S	S	*	*	S	Bend	trans	-82.1	113.3	153.2	-78.1	-68	150.8	0	0	106.7
121	N	39.6	Very low	43.6	Very low	136 Å²	136	112.4 Å²	112.4	73%	0.727	61%	0.607	S	S	*	*	S	Bend	trans	70.7	75.2	177.4	-57.2	-60	0	0	0	117.4
122	D	34.6	Very low	42.8	Very low	122 Å²	122	118.3 Å²	118.3	65%	0.652	63%	0.634	S	S	*	*	S	Bend		169.2	105.4	112.4	-94.8	-35.4	0	0	0	111.3
123	R	34.1	Very low	41.9	Very low	221 Å²	221	121.4 Å²	121.4	83%	0.834	65%	0.647	S	S	*	*	S	Bend	trans	70.5	119.7	159	-52.5	177	176.7	-157.4	-2.8	116
124	L	35.3	Very low	41.4	Very low	160 Å²	160	127.4 Å²	127.4	84%	0.838	67%	0.671	S	S	*	*			cis	-141.8	132.1	23.2	-107.2	124.1	0	0	0	109.7	V126	L124-V126 PolarHBondContact O-N 2.86Å
125	L	38.3	Very low	41.3	Very low	159 Å²	159	127.2 Å²	127.2	83%	0.832	68%	0.678	S	S	*	*			trans	-33.9	131.5	148.5	-72.9	152.6	0	0	0	109.2	G127	L125-G127 PolarHBondContact O-N 3.49Å
126	V	42.2	Very low	41.2	Very low	126 Å²	126	131.9 Å²	131.9	76%	0.764	69%	0.691	S	S	*	*			trans	-43	98.6	152.1	172.9	0	0	0	0	106.2	L124 T128	L124-V126 PolarHBondContact O-N 2.86Å; V126-T128 PolarHBondContact O-N 3.11Å
127	G	35.6	Very low	41.5	Very low	40 Å²	40	135.9 Å²	135.9	41%	0.412	70%	0.695	S	S	.	*			trans	-55.4	139.4	164.9	0	0	0	0	0	105.5	L125 D129 S130	L125-G127 PolarHBondContact O-N 3.49Å; G127-D129 PolarHBondContact O-N 3.19Å; G127-S130 PolarHBondContact O-N 2.89Å
128	T	43.4	Very low	41.8	Very low	136 Å²	136	143.4 Å²	143.4	83%	0.834	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	14.7	174.6	27.6	0	0	0	0	116	V126	V126-T128 PolarHBondContact O-N 3.11Å
129	D	41.6	Very low	41.9	Very low	135 Å²	135	143.7 Å²	143.7	72%	0.722	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	-0.4	-171.3	-53.4	5.1	0	0	0	111.5	G127 E131	G127-D129 PolarHBondContact O-N 3.19Å; D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 PolarHBondContact O-N 3.18Å
130	S	47.4	Very low	42.4	Very low	82 Å²	82	145.7 Å²	145.7	57%	0.573	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-87.5	16.1	175.8	-112.6	0	0	0	0	114.8	G127 H132	G127-S130 PolarHBondContact O-N 2.89Å; S130-H132 PolarHBondContact O-N 3.4Å
131	E	46.8	Very low	42.5	Very low	154 Å²	154	140.7 Å²	140.7	72%	0.72	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-69	-3.3	170.4	-166.9	175.6	-177.9	0	0	113	D129	D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 PolarHBondContact O-N 3.18Å
132	H	49.6	Very low	42.6	Very low	133 Å²	133	140.3 Å²	140.3	62%	0.616	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-111.3	15.1	-165.8	-70.6	71.1	0	0	0	116.9	S130	S130-H132 PolarHBondContact O-N 3.4Å
133	I	45.4	Very low	43	Very low	140 Å²	140	142 Å²	142	72%	0.718	72%	0.724	S	S	*	*	S	Bend	trans	-103.5	-1	170.9	-53.6	172.7	0	0	0	112.2
134	E	43	Very low	43.7	Very low	179 Å²	179	141.4 Å²	141.4	84%	0.836	73%	0.728	S	S	*	*	S	Bend	trans	-99.1	3	176.3	-157.3	162.7	-168.5	0	0	114.3
135	T	47.4	Very low	44.1	Very low	85 Å²	85	145.4 Å²	145.4	52%	0.521	73%	0.732	S	S	.	*	S	Bend	trans	-121.6	13.6	-177	49.3	0	0	0	0	115.6
136	Q	42.5	Very low	44.7	Very low	148 Å²	148	149 Å²	149	69%	0.692	73%	0.734	S	S	*	*	S	Bend	trans	-114.2	-10.5	173.1	-66.6	-142.4	-7.7	0	0	115.7	R138	Q136-R138 VanDerWaalsContact C-N 3.32Å
137	I	46.7	Very low	44.6	Very low	151 Å²	151	151.1 Å²	151.1	77%	0.774	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-80.1	-19.3	171.8	-57.2	178.2	0	0	0	111.2	L139	I137-L139 VanDerWaalsContact C-N 3.35Å; I137-L139 PolarHBondContact O-N 3.38Å
138	R	45.7	Very low	45	Very low	214 Å²	214	154.4 Å²	154.4	81%	0.808	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-89.2	10.2	177.3	-164.4	156	-73.2	-118.6	-0.7	114.7	Q136	Q136-R138 VanDerWaalsContact C-N 3.32Å
139	L	43	Very low	44.6	Very low	130 Å²	130	156.1 Å²	156.1	68%	0.681	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-110.2	4.1	174.6	-69	175	0	0	0	113.9	I137	I137-L139 VanDerWaalsContact C-N 3.35Å; I137-L139 PolarHBondContact O-N 3.38Å
140	R	47.4	Very low	45	Very low	231 Å²	231	157.8 Å²	157.8	87%	0.872	76%	0.759	S	S	*	*	S	Bend	trans	-106.8	15.2	174.8	-67	-167.5	-178.5	-166.8	2.8	114.4
141	S	43.7	Very low	44.7	Very low	73 Å²	73	159 Å²	159	51%	0.51	77%	0.767	S	S	.	*	S	Bend	trans	-88	123.6	156.1	50.6	0	0	0	0	107.7	L143	S141-L143 PolarHBondContact O-N 3.15Å
142	P	41.1	Very low	44.5	Very low	127 Å²	127	158 Å²	158	83%	0.825	77%	0.772	S	S	*	*			trans	-59.4	109.9	173.1	20.3	-27.7	0	0	0	108.1	K144	P142-K144 PolarHBondContact O-N 3.11Å
143	L	42.5	Very low	44.5	Very low	157 Å²	157	155 Å²	155	82%	0.822	78%	0.776	S	S	*	*			trans	-52.4	109.9	169.3	-78.3	159.9	0	0	0	107.3	S141 R145	S141-L143 PolarHBondContact O-N 3.15Å; L143-R145 PolarHBondContact O-N 3.19Å
144	K	50	Low	44.7	Very low	210 Å²	210	153.6 Å²	153.6	91%	0.913	79%	0.785	S	S	*	*			trans	-54.6	89.2	165.1	-101.1	174.9	169.6	170.8	0	108.2	P142 R146	P142-K144 PolarHBondContact O-N 3.11Å; K144-R146 VanDerWaalsContact C-N 3.29Å; K144-R146 PolarHBondContact O-N 2.92Å; K144-R146 VanDerWaalsContact O-N 3.08Å
145	R	43.3	Very low	45.2	Very low	244 Å²	244	149 Å²	149	92%	0.921	77%	0.773	S	S	*	*			trans	-80.4	86.1	168.2	-160.9	-178.8	-109.3	162.8	-3.9	107.2	L143 E147	L143-R145 PolarHBondContact O-N 3.19Å; R145-E147 PolarHBondContact O-N 3.47Å
146	R	51	Low	45.6	Very low	235 Å²	235	147.1 Å²	147.1	89%	0.887	77%	0.771	S	S	*	*			trans	-72	107.3	163.4	-150.2	-179.5	-169.7	168.7	1.2	105.9	K144	K144-R146 VanDerWaalsContact C-N 3.29Å; K144-R146 PolarHBondContact O-N 2.92Å; K144-R146 VanDerWaalsContact O-N 3.08Å
147	E	40	Very low	46.5	Very low	170 Å²	170	142.5 Å²	142.5	79%	0.794	76%	0.763	S	S	*	*			trans	168.4	114.3	133.1	-95.5	-175.9	146.5	0	0	112.8	R145	R145-E147 PolarHBondContact O-N 3.47Å
148	T	44.3	Very low	47.5	Very low	108 Å²	108	141.4 Å²	141.4	66%	0.663	76%	0.755	S	S	*	*			trans	72.5	86.3	130.3	-36.4	0	0	0	0	118.5
149	L	35.2	Very low	48.8	Very low	173 Å²	173	133.7 Å²	133.7	91%	0.906	74%	0.736	S	S	*	*				-139.8	109.1	128.3	-75.7	-176.6	0	0	0	109.8	S151	L149-S151 PolarHBondContact O-N 3.46Å
150	L	48.4	Very low	50.2	Low	170 Å²	170	134.3 Å²	134.3	89%	0.89	74%	0.736	S	S	*	*			trans	-57.6	122.4	158.3	-67.2	160.9	0	0	0	108.3
151	S	42.2	Very low	51.9	Low	107 Å²	107	127.5 Å²	127.5	75%	0.748	72%	0.717	S	S	*	*			trans	163.7	135.1	132.2	-165.3	0	0	0	0	111.7	L149	L149-S151 PolarHBondContact O-N 3.46Å
152	V	41.3	Very low	54.1	Low	134 Å²	134	132 Å²	132	81%	0.812	72%	0.722	S	S	*	*			trans	72.4	95.4	167.5	-158.1	0	0	0	0	114.4
153	G	50.9	Low	56.1	Low	69 Å²	69	130.3 Å²	130.3	71%	0.711	71%	0.706	S	S	*	*				80.6	95.1	55.8	0	0	0	0	0	110.7
154	A	49.3	Very low	58.3	Low	110 Å²	110	124 Å²	124	91%	0.909	68%	0.678	S	S	*	*	S	Bend	trans	89.9	43.3	162.3	0	0	0	0	0	121.7
155	S	53.8	Low	60.2	Low	82 Å²	82	119.8 Å²	119.8	57%	0.573	66%	0.66	S	S	*	*			trans	-139.9	7.5	167.2	-170.5	0	0	0	0	115.7	G157	S155-G157 PolarHBondContact O-N 3.11Å
156	G	55.1	Low	62.4	Low	46 Å²	46	112.8 Å²	112.8	47%	0.474	64%	0.64	S	S	.	*	H	α-helix	trans	-65.1	-38.4	-178.3	0	0	0	0	0	114.5	E158 A159 E160	G156-E158 PolarHBondContact O-N 3.35Å; G156-A159 PolarHBondContact O-N 2.58Å; G156-E160 WeakPolarHBondContact O-CG 3.48Å; G156-E160 PolarHBondContact O-N 2.95Å; G156-E160 VanDerWaalsContact O-N 3.08Å
157	G	61.2	Low	64.2	Low	51 Å²	51	107.6 Å²	107.6	53%	0.526	63%	0.626	S	S	.	*	H	α-helix	trans	-68.5	-32.1	-175	0	0	0	0	0	114.7	S155 D161	S155-G157 PolarHBondContact O-N 3.11Å; G157-D161 WeakPolarHBondContact O-CB 3.49Å; G157-D161 PolarHBondContact O-N 2.92Å
158	E	67.3	Low	66.6	Low	129 Å²	129	104.9 Å²	104.9	60%	0.603	62%	0.617	S	S	*	*	H	α-helix	trans	-75.5	-32	178	-64.3	-170.2	153.7	0	0	112.5	G156 R162	G156-E158 PolarHBondContact O-N 3.35Å; E158-R162 WeakPolarHBondContact O-CB 3.33Å; E158-R162 WeakPolarHBondContact O-CG 3.41Å; E158-R162 PolarHBondContact O-N 2.94Å; E158-R162 VanDerWaalsContact O-N 3.16Å
159	A	72.9	Confident	68.8	Low	51 Å²	51	105.1 Å²	105.1	42%	0.421	61%	0.611	S	S	.	*	H	α-helix	trans	-71.5	-41.7	174.8	0	0	0	0	0	110.9	G156 R162 I163	G156-A159 PolarHBondContact O-N 2.58Å; A159-R162 PolarHBondContact O-N 3.47Å; A159-I163 WeakPolarHBondContact O-CD1 3.49Å; A159-I163 VanDerWaalsContact O-CG1 3.25Å; A159-I163 WeakPolarHBondContact O-CG1 3.37Å; A159-I163 PolarHBondContact O-N 3.46Å
160	E	73.4	Confident	71.2	Confident	143 Å²	143	101 Å²	101	67%	0.668	59%	0.59	S	S	*	*	H	α-helix	trans	-64	-42.8	175.4	-71.7	172.9	174.9	0	0	112	G156 R162 I163 G164	G156-E160 WeakPolarHBondContact O-CG 3.48Å; G156-E160 PolarHBondContact O-N 2.95Å; G156-E160 VanDerWaalsContact O-N 3.08Å; E160-R162 PolarHBondContact O-N 3.37Å; E160-I163 PolarHBondContact O-N 2.91Å; E160-G164 PolarHBondContact O-N 3.44Å
161	D	82.5	Confident	73	Confident	89 Å²	89	95.5 Å²	95.5	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-35.8	176.4	-173.8	59.2	0	0	0	112.7	G157 K165	G157-D161 WeakPolarHBondContact O-CB 3.49Å; G157-D161 PolarHBondContact O-N 2.92Å; D161-K165 WeakPolarHBondContact O-CG 3.23Å; D161-K165 PolarHBondContact O-N 3.02Å; D161-K165 VanDerWaalsContact O-N 3.12Å; D161-K165 IonicContact OD2-NZ 2.74Å; D161-K165 PolarHBondContact OD2-NZ 3.09Å
162	R	89.7	Confident	75.2	Confident	166 Å²	166	94 Å²	94	63%	0.626	56%	0.558	S	S	*	*	H	α-helix	trans	-68.8	-38.5	173.2	-74	173.5	-168.4	-155	5.8	112.4	E158 A159 E160 K165 L166	E158-R162 WeakPolarHBondContact O-CB 3.33Å; E158-R162 WeakPolarHBondContact O-CG 3.41Å; E158-R162 PolarHBondContact O-N 2.94Å; E158-R162 VanDerWaalsContact O-N 3.16Å; A159-R162 PolarHBondContact O-N 3.47Å; E160-R162 PolarHBondContact O-N 3.37Å; R162-K165 PolarHBondContact O-N 3.38Å; R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 2.62Å; R162-L166 VanDerWaalsContact O-N 3.1Å
163	I	84.6	Confident	77.2	Confident	92 Å²	92	91.7 Å²	91.7	47%	0.472	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-47.1	176	-71.2	164.8	0	0	0	109.6	A159 E160 K165 L166 E167	A159-I163 WeakPolarHBondContact O-CD1 3.49Å; A159-I163 VanDerWaalsContact O-CG1 3.25Å; A159-I163 WeakPolarHBondContact O-CG1 3.37Å; A159-I163 PolarHBondContact O-N 3.46Å; E160-I163 PolarHBondContact O-N 2.91Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 3.3Å; I163-L166 PolarHBondContact O-N 2.71Å; I163-L166 VanDerWaalsContact O-N 3.13Å; I163-E167 HydrophobicContact CG2-CG 4.34Å; I163-E167 WeakPolarHBondContact O-CG 3.25Å; I163-E167 PolarHBondContact O-N 3.07Å
164	G	87.8	Confident	78.7	Confident	24 Å²	24	97.4 Å²	97.4	25%	0.247	54%	0.541	C	S	.	.	H	α-helix	trans	-57.2	-45.2	176.9	0	0	0	0	0	112.8	E160 L166 E167 D168	E160-G164 PolarHBondContact O-N 3.44Å; G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.24Å; G164-E167 PolarHBondContact O-N 3.29Å; G164-D168 PolarHBondContact O-N 2.86Å
165	K	89.4	Confident	80.4	Confident	123 Å²	123	98.3 Å²	98.3	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-60	-40.5	175.2	-76.4	167.8	178.4	154.8	0	113.4	D161 R162 I163 E169	D161-K165 WeakPolarHBondContact O-CG 3.23Å; D161-K165 PolarHBondContact O-N 3.02Å; D161-K165 VanDerWaalsContact O-N 3.12Å; D161-K165 IonicContact OD2-NZ 2.74Å; D161-K165 PolarHBondContact OD2-NZ 3.09Å; R162-K165 PolarHBondContact O-N 3.38Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 3.3Å; K165-E169 WeakPolarHBondContact O-CB 3.33Å; K165-E169 PolarHBondContact O-N 3.26Å
166	L	90.1	Very high	81.7	Confident	96 Å²	96	98.9 Å²	98.9	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-71.5	-31.7	177.2	-72.2	171.9	0	0	0	112.2	R162 I163 G164 N170	R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 2.62Å; R162-L166 VanDerWaalsContact O-N 3.1Å; I163-L166 PolarHBondContact O-N 2.71Å; I163-L166 VanDerWaalsContact O-N 3.13Å; G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.24Å; L166-N170 WeakPolarHBondContact O-CB 3.03Å; L166-N170 PolarHBondContact O-N 2.77Å; L166-N170 PolarHBondContact O-ND2 3.11Å
167	E	89.8	Confident	83	Confident	126 Å²	126	101.1 Å²	101.1	59%	0.589	53%	0.527	S	S	*	.	H	α-helix	trans	-67.3	-44.4	173.6	-73.2	179.1	160.3	0	0	111	I163 G164 N170 A171	I163-E167 HydrophobicContact CG2-CG 4.34Å; I163-E167 WeakPolarHBondContact O-CG 3.25Å; I163-E167 PolarHBondContact O-N 3.07Å; G164-E167 PolarHBondContact O-N 3.29Å; E167-N170 PolarHBondContact O-N 3.34Å; E167-A171 PolarHBondContact O-N 3.5Å
168	D	90	Very high	84	Confident	113 Å²	113	102.2 Å²	102.2	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-61.8	-46.2	174.5	-70	-22.3	0	0	0	111.4	G164 N170 A171 S172	G164-D168 PolarHBondContact O-N 2.86Å; D168-N170 PolarHBondContact O-N 2.85Å; D168-A171 WeakPolarHBondContact O-CB 3.26Å; D168-A171 PolarHBondContact O-N 3.42Å; D168-A171 VanDerWaalsContact O-N 3.14Å; D168-S172 PolarHBondContact O-N 2.95Å; D168-S172 PolarHBondContact O-OG 3.08Å
169	E	90.6	Very high	84.7	Confident	113 Å²	113	100.9 Å²	100.9	53%	0.528	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-42	176.7	-173.8	176	-176.7	0	0	111.6	K165 A171 S172 L173	K165-E169 WeakPolarHBondContact O-CB 3.33Å; K165-E169 PolarHBondContact O-N 3.26Å; E169-A171 VanDerWaalsContact C-N 3.3Å; E169-A171 PolarHBondContact O-N 3.48Å; E169-S172 PolarHBondContact O-N 3.47Å; E169-L173 HydrophobicContact CG-CD1 4.15Å; E169-L173 HydrophobicContact CG-CG 4.43Å; E169-L173 WeakPolarHBondContact O-CB 3.33Å; E169-L173 VanDerWaalsContact O-CG 3.26Å; E169-L173 WeakPolarHBondContact O-CG 3.47Å; E169-L173 PolarHBondContact O-N 2.89Å
170	N	84.3	Confident	85.1	Confident	87 Å²	87	103.7 Å²	103.7	47%	0.465	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-36.8	173.8	-87.1	-65.7	0	0	0	112.3	L166 E167 D168 R174	L166-N170 WeakPolarHBondContact O-CB 3.03Å; L166-N170 PolarHBondContact O-N 2.77Å; L166-N170 PolarHBondContact O-ND2 3.11Å; E167-N170 PolarHBondContact O-N 3.34Å; D168-N170 PolarHBondContact O-N 2.85Å; N170-R174 WeakPolarHBondContact O-CB 3.41Å; N170-R174 WeakPolarHBondContact O-CG 3.3Å; N170-R174 PolarHBondContact O-N 2.9Å
171	A	85.9	Confident	85.5	Confident	55 Å²	55	97.8 Å²	97.8	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-47.2	175.1	0	0	0	0	0	111	E167 D168 E169 L173 R174 E175	E167-A171 PolarHBondContact O-N 3.5Å; D168-A171 WeakPolarHBondContact O-CB 3.26Å; D168-A171 PolarHBondContact O-N 3.42Å; D168-A171 VanDerWaalsContact O-N 3.14Å; E169-A171 VanDerWaalsContact C-N 3.3Å; E169-A171 PolarHBondContact O-N 3.48Å; A171-L173 PolarHBondContact O-N 3.39Å; A171-R174 WeakPolarHBondContact O-CB 3.5Å; A171-R174 PolarHBondContact O-N 3.29Å; A171-E175 PolarHBondContact O-N 2.84Å
172	S	89.7	Confident	85.3	Confident	74 Å²	74	95.3 Å²	95.3	52%	0.517	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-39.2	175.8	-61.9	0	0	0	0	112.9	D168 E169 E175 L176	D168-S172 PolarHBondContact O-N 2.95Å; D168-S172 PolarHBondContact O-OG 3.08Å; E169-S172 PolarHBondContact O-N 3.47Å; S172-E175 PolarHBondContact O-N 3.43Å; S172-L176 WeakPolarHBondContact O-CB 3.28Å; S172-L176 PolarHBondContact O-N 2.92Å
173	L	82.9	Confident	85	Confident	86 Å²	86	90.3 Å²	90.3	45%	0.45	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-38.8	175.7	-73.6	172.8	0	0	0	111.8	E169 A171 L176 V177	E169-L173 HydrophobicContact CG-CD1 4.15Å; E169-L173 HydrophobicContact CG-CG 4.43Å; E169-L173 WeakPolarHBondContact O-CB 3.33Å; E169-L173 VanDerWaalsContact O-CG 3.26Å; E169-L173 WeakPolarHBondContact O-CG 3.47Å; E169-L173 PolarHBondContact O-N 2.89Å; A171-L173 PolarHBondContact O-N 3.39Å; L173-L176 PolarHBondContact O-N 2.98Å; L173-V177 WeakPolarHBondContact O-CB 3.39Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.29Å
174	R	81.9	Confident	84.8	Confident	190 Å²	190	89.1 Å²	89.1	72%	0.717	47%	0.473	S	S	*	.	H	α-helix	trans	-63.2	-42.5	175.1	-76.4	171.4	-179.8	-159.4	1.4	111.8	N170 A171 V177 E178	N170-R174 WeakPolarHBondContact O-CB 3.41Å; N170-R174 WeakPolarHBondContact O-CG 3.3Å; N170-R174 PolarHBondContact O-N 2.9Å; A171-R174 WeakPolarHBondContact O-CB 3.5Å; A171-R174 PolarHBondContact O-N 3.29Å; R174-V177 PolarHBondContact O-N 3.31Å; R174-E178 WeakPolarHBondContact O-CB 3.23Å; R174-E178 PolarHBondContact O-N 3.41Å
175	E	85.6	Confident	84.6	Confident	128 Å²	128	88.3 Å²	88.3	60%	0.598	46%	0.463	S	S	*	.	H	α-helix	trans	-62.1	-48.3	175.5	-175.3	177.2	-165.7	0	0	111.3	A171 S172 V177 E178 D179	A171-E175 PolarHBondContact O-N 2.84Å; S172-E175 PolarHBondContact O-N 3.43Å; E175-V177 VanDerWaalsContact C-N 3.33Å; E175-V177 PolarHBondContact O-N 2.85Å; E175-E178 WeakPolarHBondContact O-CB 3.42Å; E175-E178 PolarHBondContact O-N 3.13Å; E175-E178 VanDerWaalsContact O-N 3.09Å; E175-D179 PolarHBondContact O-N 3.44Å
176	L	82.3	Confident	84.3	Confident	95 Å²	95	83.6 Å²	83.6	50%	0.497	45%	0.445	S	S	.	.	H	α-helix	trans	-60.2	-42.3	177.7	178.1	62.5	0	0	0	112.5	S172 L173 E178 D179 M180	S172-L176 WeakPolarHBondContact O-CB 3.28Å; S172-L176 PolarHBondContact O-N 2.92Å; L173-L176 PolarHBondContact O-N 2.98Å; L176-E178 VanDerWaalsContact C-N 3.28Å; L176-E178 PolarHBondContact O-N 3.11Å; L176-D179 PolarHBondContact O-N 2.85Å; L176-M180 HydrophobicContact CD1-CG 4.38Å; L176-M180 HydrophobicContact CD1-SD 4.45Å; L176-M180 HydrophobicContact CG-SD 4.26Å; L176-M180 WeakPolarHBondContact O-CB 3.47Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.4Å; L176-M180 PolarHBondContact O-N 3.42Å
177	V	80.8	Confident	84	Confident	93 Å²	93	81.5 Å²	81.5	56%	0.564	44%	0.439	S	S	*	.	H	α-helix	trans	-62	-40	176.3	166.7	0	0	0	0	110.8	L173 R174 E175 M180 R181	L173-V177 WeakPolarHBondContact O-CB 3.39Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.29Å; R174-V177 PolarHBondContact O-N 3.31Å; E175-V177 VanDerWaalsContact C-N 3.33Å; E175-V177 PolarHBondContact O-N 2.85Å; V177-M180 PolarHBondContact O-N 3.25Å; V177-R181 VanDerWaalsContact O-CB 3.28Å; V177-R181 WeakPolarHBondContact O-CB 3.25Å; V177-R181 PolarHBondContact O-N 3.34Å
178	E	82.9	Confident	83.7	Confident	74 Å²	74	76.1 Å²	76.1	35%	0.346	41%	0.414	S	S	.	.	H	α-helix	trans	-66.6	-41.5	177.9	-174.7	57.2	-156.6	0	0	112.2	R174 E175 L176 R181 A182	R174-E178 WeakPolarHBondContact O-CB 3.23Å; R174-E178 PolarHBondContact O-N 3.41Å; E175-E178 WeakPolarHBondContact O-CB 3.42Å; E175-E178 PolarHBondContact O-N 3.13Å; E175-E178 VanDerWaalsContact O-N 3.09Å; L176-E178 VanDerWaalsContact C-N 3.28Å; L176-E178 PolarHBondContact O-N 3.11Å; E178-R181 VanDerWaalsContact CD-NE 3.31Å; E178-R181 WeakPolarHBondContact O-CB 3.27Å; E178-R181 PolarHBondContact O-N 3.08Å; E178-R181 IonicContact OE1-CZ 3.3Å; E178-R181 VanDerWaalsContact OE1-CZ 3.3Å; E178-R181 IonicContact OE1-NE 3.24Å; E178-R181 PolarHBondContact OE1-NE 3Å; E178-R181 IonicContact OE1-NH2 2.62Å; E178-R181 PolarHBondContact OE1-NH2 3.19Å; E178-R181 IonicContact OE2-CZ 3.51Å; E178-R181 IonicContact OE2-NE 2.77Å; E178-R181 PolarHBondContact OE2-NE 3.22Å; E178-R181 IonicContact OE2-NH2 3.53Å; E178-A182 WeakPolarHBondContact O-CB 3.39Å; E178-A182 PolarHBondContact O-N 3.5Å
179	D	82.6	Confident	83.5	Confident	100 Å²	100	70.8 Å²	70.8	54%	0.535	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-45.1	174.2	-77.7	-17.7	0	0	0	111.9	E175 L176 R181 A182 A183	E175-D179 PolarHBondContact O-N 3.44Å; L176-D179 PolarHBondContact O-N 2.85Å; D179-R181 VanDerWaalsContact C-N 3.3Å; D179-R181 PolarHBondContact O-N 3.4Å; D179-A182 PolarHBondContact O-N 3.36Å; D179-A183 WeakPolarHBondContact O-CB 3.21Å; D179-A183 PolarHBondContact O-N 3.05Å
180	M	81.5	Confident	83.2	Confident	111 Å²	111	70.7 Å²	70.7	55%	0.547	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-41.6	175.9	-73.1	180	65.7	0	0	111.2	L176 V177 A183 L184	L176-M180 HydrophobicContact CD1-CG 4.38Å; L176-M180 HydrophobicContact CD1-SD 4.45Å; L176-M180 HydrophobicContact CG-SD 4.26Å; L176-M180 WeakPolarHBondContact O-CB 3.47Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.4Å; L176-M180 PolarHBondContact O-N 3.42Å; V177-M180 PolarHBondContact O-N 3.25Å; M180-A183 PolarHBondContact O-N 3.32Å; M180-L184 WeakPolarHBondContact O-CB 3.42Å; M180-L184 VanDerWaalsContact O-CG 3.28Å; M180-L184 WeakPolarHBondContact O-CG 3.19Å; M180-L184 PolarHBondContact O-N 3.04Å
181	R	79.9	Confident	83.2	Confident	18 Å²	18	67.6 Å²	67.6	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-60	-52	176.4	-176.6	-178.2	85.2	84.8	7.3	111.2	V40 T43 V177 E178 D179 A183 L184 Q185	V40-R181 HydrophobicContact CG1-CG 4.31Å; V40-R181 HydrophobicContact CG2-CG 4.14Å; T43-R181 PolarHBondContact O-NH1 3.05Å; V177-R181 VanDerWaalsContact O-CB 3.28Å; V177-R181 WeakPolarHBondContact O-CB 3.25Å; V177-R181 PolarHBondContact O-N 3.34Å; E178-R181 VanDerWaalsContact CD-NE 3.31Å; E178-R181 WeakPolarHBondContact O-CB 3.27Å; E178-R181 PolarHBondContact O-N 3.08Å; E178-R181 IonicContact OE1-CZ 3.3Å; E178-R181 VanDerWaalsContact OE1-CZ 3.3Å; E178-R181 IonicContact OE1-NE 3.24Å; E178-R181 PolarHBondContact OE1-NE 3Å; E178-R181 IonicContact OE1-NH2 2.62Å; E178-R181 PolarHBondContact OE1-NH2 3.19Å; E178-R181 IonicContact OE2-CZ 3.51Å; E178-R181 IonicContact OE2-NE 2.77Å; E178-R181 PolarHBondContact OE2-NE 3.22Å; E178-R181 IonicContact OE2-NH2 3.53Å; D179-R181 VanDerWaalsContact C-N 3.3Å; D179-R181 PolarHBondContact O-N 3.4Å; R181-A183 VanDerWaalsContact C-N 3.34Å; R181-A183 PolarHBondContact O-N 3.23Å; R181-L184 PolarHBondContact O-N 3.03Å; R181-Q185 WeakPolarHBondContact O-CB 3.48Å; R181-Q185 WeakPolarHBondContact O-CG 3.48Å; R181-Q185 PolarHBondContact O-N 2.87Å
182	A	79.8	Confident	83.1	Confident	38 Å²	38	65.1 Å²	65.1	31%	0.314	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-43	179.7	0	0	0	0	0	111.9	E178 D179 L184 Q185 S186	E178-A182 WeakPolarHBondContact O-CB 3.39Å; E178-A182 PolarHBondContact O-N 3.5Å; D179-A182 PolarHBondContact O-N 3.36Å; A182-L184 PolarHBondContact O-N 3.03Å; A182-Q185 PolarHBondContact O-N 3.38Å; A182-S186 VanDerWaalsContact O-CB 3.26Å; A182-S186 WeakPolarHBondContact O-CB 3.24Å; A182-S186 PolarHBondContact O-N 3.36Å
183	A	82.9	Confident	82.9	Confident	60 Å²	60	61.9 Å²	61.9	50%	0.496	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-42.1	178	0	0	0	0	0	112.4	D179 M180 R181 S187	D179-A183 WeakPolarHBondContact O-CB 3.21Å; D179-A183 PolarHBondContact O-N 3.05Å; M180-A183 PolarHBondContact O-N 3.32Å; R181-A183 VanDerWaalsContact C-N 3.34Å; R181-A183 PolarHBondContact O-N 3.23Å; A183-S187 VanDerWaalsContact O-CB 3.25Å; A183-S187 WeakPolarHBondContact O-CB 3.27Å; A183-S187 PolarHBondContact O-N 3.45Å
184	L	80.4	Confident	83	Confident	68 Å²	68	63.7 Å²	63.7	36%	0.356	33%	0.331	S	S	.	.	H	α-helix	trans	-67.9	-48.4	178	-72	169.4	0	0	0	111.7	W19 I39 M180 R181 A182 S186 S187 D188	W19-L184 HydrophobicContact CH2-CB 4.34Å; W19-L184 HydrophobicContact CH2-CD1 4.3Å; W19-L184 HydrophobicContact CH2-CD2 4.22Å; W19-L184 HydrophobicContact CZ3-CB 4.03Å; W19-L184 HydrophobicContact CZ3-CD1 4.5Å; I39-L184 HydrophobicContact CG2-CD1 3.56Å; M180-L184 WeakPolarHBondContact O-CB 3.42Å; M180-L184 VanDerWaalsContact O-CG 3.28Å; M180-L184 WeakPolarHBondContact O-CG 3.19Å; M180-L184 PolarHBondContact O-N 3.04Å; R181-L184 PolarHBondContact O-N 3.03Å; A182-L184 PolarHBondContact O-N 3.03Å; L184-S186 PolarHBondContact O-N 3.2Å; L184-S187 PolarHBondContact O-N 3.43Å; L184-D188 WeakPolarHBondContact O-CB 3.28Å; L184-D188 PolarHBondContact O-N 3.32Å
185	Q	83	Confident	83	Confident	7 Å²	7	57 Å²	57	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-45.2	178.4	-74.4	179.9	-14.9	0	0	112	V40 Y48 R181 A182 D188 A189	V40-Q185 VanDerWaalsContact CG1-NE2 3.3Å; V40-Q185 HydrophobicContact CG2-CG 4.39Å; Y48-Q185 HydrophobicContact CD2-CB 3.71Å; Y48-Q185 HydrophobicContact CD2-CG 3.96Å; Y48-Q185 HydrophobicContact CE2-CB 4.24Å; Y48-Q185 HydrophobicContact CE2-CG 4.49Å; Y48-Q185 HydrophobicContact CG-CB 4.22Å; Y48-Q185 HydrophobicContact CG-CG 4Å; R181-Q185 WeakPolarHBondContact O-CB 3.48Å; R181-Q185 WeakPolarHBondContact O-CG 3.48Å; R181-Q185 PolarHBondContact O-N 2.87Å; A182-Q185 PolarHBondContact O-N 3.38Å; Q185-D188 PolarHBondContact O-N 3.23Å; Q185-A189 VanDerWaalsContact O-CB 3.28Å; Q185-A189 WeakPolarHBondContact O-CB 3.39Å; Q185-A189 PolarHBondContact O-N 3.45Å
186	S	83.3	Confident	82.9	Confident	24 Å²	24	50.9 Å²	50.9	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-38.7	177.4	-175.3	0	0	0	0	111.8	E51 A182 L184 R190	E51-S186 WeakPolarHBondContact OE1-CB 3.43Å; E51-S186 PolarHBondContact OE1-OG 2.84Å; A182-S186 VanDerWaalsContact O-CB 3.26Å; A182-S186 WeakPolarHBondContact O-CB 3.24Å; A182-S186 PolarHBondContact O-N 3.36Å; L184-S186 PolarHBondContact O-N 3.2Å; S186-R190 WeakPolarHBondContact O-CG 3.43Å; S186-R190 PolarHBondContact O-N 3.47Å; S186-R190 VanDerWaalsContact O-N 3.1Å; S186-R190 PolarHBondContact O-NH1 2.91Å; S186-R190 PolarHBondContact OG-NH1 3.03Å
187	S	83.3	Confident	82.9	Confident	52 Å²	52	48.9 Å²	48.9	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-44.5	173.7	-176.3	0	0	0	0	112.3	A183 L184 C191	A183-S187 VanDerWaalsContact O-CB 3.25Å; A183-S187 WeakPolarHBondContact O-CB 3.27Å; A183-S187 PolarHBondContact O-N 3.45Å; L184-S187 PolarHBondContact O-N 3.43Å; S187-C191 PolarHBondContact O-N 3.37Å; S187-C191 PolarHBondContact O-SG 3.1Å
188	D	84	Confident	82.8	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-46.6	179.4	-173.1	77.9	0	0	0	112.1	Y48 L184 Q185 R190 C191 L192	Y48-D188 HydrophobicContact CE2-CB 4.39Å; Y48-D188 PolarHBondContact OH-OD2 2.98Å; L184-D188 WeakPolarHBondContact O-CB 3.28Å; L184-D188 PolarHBondContact O-N 3.32Å; Q185-D188 PolarHBondContact O-N 3.23Å; D188-R190 VanDerWaalsContact C-N 3.29Å; D188-R190 PolarHBondContact O-N 2.74Å; D188-C191 WeakPolarHBondContact O-CA 3.31Å; D188-C191 WeakPolarHBondContact O-CB 3.4Å; D188-C191 PolarHBondContact O-N 2.82Å; D188-L192 PolarHBondContact O-N 3.47Å; D188-L192 WeakPolarHBondContact OD2-CD1 3.26Å
189	A	85.6	Confident	82.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.2	-41.8	177	0	0	0	0	0	112.5	Y48 E51 I52 Q185 C191 L192 A193	Y48-A189 HydrophobicContact CE2-CB 4.34Å; E51-A189 HydrophobicContact CB-CB 4.16Å; E51-A189 HydrophobicContact CG-CB 3.7Å; I52-A189 HydrophobicContact CB-CB 4.45Å; I52-A189 HydrophobicContact CG1-CB 3.74Å; Q185-A189 VanDerWaalsContact O-CB 3.28Å; Q185-A189 WeakPolarHBondContact O-CB 3.39Å; Q185-A189 PolarHBondContact O-N 3.45Å; A189-C191 VanDerWaalsContact C-N 3.35Å; A189-C191 PolarHBondContact O-N 2.94Å; A189-L192 PolarHBondContact O-N 3.35Å; A189-A193 PolarHBondContact O-N 2.7Å
190	R	85.2	Confident	81.7	Confident	112 Å²	112	51.9 Å²	51.9	42%	0.423	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-43	171.8	-75.5	-169.5	-63.2	-87.6	1.7	112.5	H55 S186 D188 A193 L194	H55-R190 WeakPolarHBondContact CE1-CG 3.37Å; H55-R190 WeakPolarHBondContact NE2-CG 3.49Å; S186-R190 WeakPolarHBondContact O-CG 3.43Å; S186-R190 PolarHBondContact O-N 3.47Å; S186-R190 VanDerWaalsContact O-N 3.1Å; S186-R190 PolarHBondContact O-NH1 2.91Å; S186-R190 PolarHBondContact OG-NH1 3.03Å; D188-R190 VanDerWaalsContact C-N 3.29Å; D188-R190 PolarHBondContact O-N 2.74Å; R190-A193 PolarHBondContact O-N 3.28Å; R190-L194 VanDerWaalsContact O-CG 3.32Å; R190-L194 WeakPolarHBondContact O-CG 3.32Å; R190-L194 PolarHBondContact O-N 3.4Å
191	C	82.9	Confident	81.1	Confident	22 Å²	22	53.3 Å²	53.3	15%	0.149	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-43.5	-179.1	-65.3	0	0	0	0	111.5	R16 S187 D188 A189 L194 Q195	R16-C191 PolarHBondContact NH2-SG 3.29Å; S187-C191 PolarHBondContact O-N 3.37Å; S187-C191 PolarHBondContact O-SG 3.1Å; D188-C191 WeakPolarHBondContact O-CA 3.31Å; D188-C191 WeakPolarHBondContact O-CB 3.4Å; D188-C191 PolarHBondContact O-N 2.82Å; A189-C191 VanDerWaalsContact C-N 3.35Å; A189-C191 PolarHBondContact O-N 2.94Å; C191-L194 PolarHBondContact O-N 3.13Å; C191-Q195 WeakPolarHBondContact O-CB 3.2Å; C191-Q195 PolarHBondContact O-N 3.38Å
192	L	84.4	Confident	80.4	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-49.1	175	-72.3	174	0	0	0	111.1	T17 I52 V75 L76 D188 A189 L194 Q195 V196	T17-L192 HydrophobicContact CG2-CD2 3.88Å; I52-L192 HydrophobicContact CD1-CD1 4.01Å; I52-L192 HydrophobicContact CG1-CD1 4.19Å; V75-L192 HydrophobicContact CG1-CD2 4.25Å; L76-L192 HydrophobicContact CD2-CD2 4.29Å; D188-L192 PolarHBondContact O-N 3.47Å; D188-L192 WeakPolarHBondContact OD2-CD1 3.26Å; A189-L192 PolarHBondContact O-N 3.35Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 2.95Å; L192-Q195 WeakPolarHBondContact O-CB 3.41Å; L192-Q195 PolarHBondContact O-N 2.72Å; L192-Q195 VanDerWaalsContact O-N 3.1Å; L192-V196 WeakPolarHBondContact O-CG2 3.36Å; L192-V196 PolarHBondContact O-N 2.89Å
193	A	86.1	Confident	79.6	Confident	6 Å²	6	59.8 Å²	59.8	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-39.7	178.8	0	0	0	0	0	112.7	H55 L56 A189 R190 Q195 V196 N197	H55-A193 HydrophobicContact CB-CB 3.56Å; L56-A193 HydrophobicContact CD2-CB 4.09Å; A189-A193 PolarHBondContact O-N 2.7Å; R190-A193 PolarHBondContact O-N 3.28Å; A193-Q195 VanDerWaalsContact C-N 3.32Å; A193-Q195 PolarHBondContact O-N 2.99Å; A193-V196 PolarHBondContact O-N 3.17Å; A193-N197 WeakPolarHBondContact O-CB 3.43Å; A193-N197 PolarHBondContact O-N 3.38Å; A193-N197 PolarHBondContact O-ND2 2.96Å
194	L	84.7	Confident	78.4	Confident	124 Å²	124	60.3 Å²	60.3	65%	0.649	29%	0.294	S	S	*	.	H	α-helix	trans	-63.5	-39.2	174.2	-72.3	173.4	0	0	0	111.9	R190 C191 L192 N197 F198	R190-L194 VanDerWaalsContact O-CG 3.32Å; R190-L194 WeakPolarHBondContact O-CG 3.32Å; R190-L194 PolarHBondContact O-N 3.4Å; C191-L194 PolarHBondContact O-N 3.13Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 2.95Å; L194-N197 PolarHBondContact O-N 3.14Å; L194-F198 WeakPolarHBondContact O-CB 3.21Å; L194-F198 PolarHBondContact O-N 2.91Å
195	Q	82.9	Confident	77.3	Confident	49 Å²	49	65.4 Å²	65.4	23%	0.229	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-44.5	177.8	-174.2	171	-8.5	0	0	111.7	V75 C191 L192 A193 N197 F198 W199	V75-Q195 HydrophobicContact CG1-CG 4.18Å; V75-Q195 HydrophobicContact CG2-CG 4.05Å; C191-Q195 WeakPolarHBondContact O-CB 3.2Å; C191-Q195 PolarHBondContact O-N 3.38Å; L192-Q195 WeakPolarHBondContact O-CB 3.41Å; L192-Q195 PolarHBondContact O-N 2.72Å; L192-Q195 VanDerWaalsContact O-N 3.1Å; A193-Q195 VanDerWaalsContact C-N 3.32Å; A193-Q195 PolarHBondContact O-N 2.99Å; Q195-N197 PolarHBondContact O-N 3.24Å; Q195-F198 PolarHBondContact O-N 3.5Å; Q195-W199 WeakPolarHBondContact O-CB 3.49Å; Q195-W199 PolarHBondContact O-N 2.65Å
196	V	83.4	Confident	75.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.4	-48.8	174.3	170.3	0	0	0	0	110.7	L56 D68 V71 L72 L192 A193 F198 W199 F200	L56-V196 HydrophobicContact CD2-CB 3.96Å; L56-V196 HydrophobicContact CD2-CG1 3.92Å; L56-V196 HydrophobicContact CD2-CG2 4.08Å; D68-V196 HydrophobicContact CB-CG1 4.22Å; V71-V196 HydrophobicContact CB-CG1 4.12Å; V71-V196 HydrophobicContact CG1-CB 4.19Å; V71-V196 HydrophobicContact CG1-CG1 3.91Å; V71-V196 HydrophobicContact CG1-CG2 4.25Å; L72-V196 HydrophobicContact CB-CG2 3.99Å; L72-V196 HydrophobicContact CD1-CG2 4.09Å; L192-V196 WeakPolarHBondContact O-CG2 3.36Å; L192-V196 PolarHBondContact O-N 2.89Å; A193-V196 PolarHBondContact O-N 3.17Å; V196-F198 VanDerWaalsContact C-N 3.3Å; V196-F198 PolarHBondContact O-N 3.12Å; V196-W199 PolarHBondContact O-N 3.44Å; V196-F200 PolarHBondContact O-N 3.18Å
197	N	81.4	Confident	73.6	Confident	53 Å²	53	74.1 Å²	74.1	28%	0.283	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-37.3	177.3	-82.2	-63.9	0	0	0	113.1	A193 L194 Q195 K201	A193-N197 WeakPolarHBondContact O-CB 3.43Å; A193-N197 PolarHBondContact O-N 3.38Å; A193-N197 PolarHBondContact O-ND2 2.96Å; L194-N197 PolarHBondContact O-N 3.14Å; Q195-N197 PolarHBondContact O-N 3.24Å; N197-K201 WeakPolarHBondContact O-CG 3.33Å; N197-K201 PolarHBondContact O-N 3.42Å; N197-K201 VanDerWaalsContact O-N 3.16Å
198	F	79.3	Confident	71.7	Confident	140 Å²	140	81 Å²	81	61%	0.614	41%	0.406	S	S	*	.	H	α-helix	trans	-68.9	-44.6	176.9	-176.8	-92.5	0	0	0	111.5	L194 Q195 V196 F200 K201 H202	L194-F198 WeakPolarHBondContact O-CB 3.21Å; L194-F198 PolarHBondContact O-N 2.91Å; Q195-F198 PolarHBondContact O-N 3.5Å; V196-F198 VanDerWaalsContact C-N 3.3Å; V196-F198 PolarHBondContact O-N 3.12Å; F198-F200 PolarHBondContact O-N 3.45Å; F198-K201 PolarHBondContact O-N 2.95Å; F198-H202 PolarHBondContact O-N 3.37Å
199	W	74.4	Confident	71.1	Confident	97 Å²	97	84.4 Å²	84.4	37%	0.367	42%	0.422	S	S	.	.	H	α-helix	trans	-58	-47.9	175.6	-96.1	80.2	0	0	0	111.6	V71 V75 Q195 V196 K201 H202 H203	V71-W199 HydrophobicContact CG1-CB 3.47Å; V71-W199 VanDerWaalsContact CG1-CB 3.47Å; V71-W199 HydrophobicContact CG1-CG 4.2Å; V75-W199 HydrophobicContact CG2-CG 4.42Å; Q195-W199 WeakPolarHBondContact O-CB 3.49Å; Q195-W199 PolarHBondContact O-N 2.65Å; V196-W199 PolarHBondContact O-N 3.44Å; W199-K201 PolarHBondContact O-N 3.31Å; W199-H202 PolarHBondContact O-N 3.16Å; W199-H203 AromaticContact CD2-CE1 3.96Å; W199-H203 AromaticContact CE3-CE1 3.03Å; W199-H203 AromaticContact CE3-ND1 3.51Å; W199-H203 AromaticContact CE3-NE2 3.85Å; W199-H203 AromaticContact CZ3-CE1 3.07Å; W199-H203 WeakPolarHBondContact CZ3-CE1 3.41Å; W199-H203 AromaticContact CZ3-ND1 3.99Å; W199-H203 AromaticContact CZ3-NE2 3.52Å; W199-H203 PolarHBondContact O-N 3.48Å; W199-H203 PolarHBondContact O-ND1 3.46Å
200	F	67.3	Low	70.4	Confident	94 Å²	94	88.8 Å²	88.8	41%	0.412	45%	0.445	S	S	.	.	H	α-helix	trans	-57.2	-48	175.9	-177.2	-93	0	0	0	112	V196 F198 H202 H203 S204	V196-F200 PolarHBondContact O-N 3.18Å; F198-F200 PolarHBondContact O-N 3.45Å; F200-H202 VanDerWaalsContact C-N 3.29Å; F200-H202 PolarHBondContact O-N 3.08Å; F200-H203 PolarHBondContact O-N 2.89Å; F200-S204 WeakPolarHBondContact O-CB 3.5Å; F200-S204 PolarHBondContact O-N 2.76Å
201	K	67.9	Low	69.5	Low	140 Å²	140	87.6 Å²	87.6	61%	0.609	45%	0.446	S	S	*	.	H	α-helix	trans	-63.9	-32.3	179.3	-78.2	178.3	-178.7	175.7	0	113.6	N197 F198 W199 K205	N197-K201 WeakPolarHBondContact O-CG 3.33Å; N197-K201 PolarHBondContact O-N 3.42Å; N197-K201 VanDerWaalsContact O-N 3.16Å; F198-K201 PolarHBondContact O-N 2.95Å; W199-K201 PolarHBondContact O-N 3.31Å; K201-K205 VanDerWaalsContact O-CG 3.32Å; K201-K205 WeakPolarHBondContact O-CG 3.25Å
202	H	67.1	Low	68.8	Low	98 Å²	98	91.4 Å²	91.4	45%	0.454	46%	0.463	S	S	.	.	H	α-helix	trans	-76.7	-42.2	178.1	-168.2	-93.4	0	0	0	111.4	F198 W199 F200 K205 N206	F198-H202 PolarHBondContact O-N 3.37Å; W199-H202 PolarHBondContact O-N 3.16Å; F200-H202 VanDerWaalsContact C-N 3.29Å; F200-H202 PolarHBondContact O-N 3.08Å; H202-K205 PolarHBondContact O-N 3.4Å; H202-N206 PolarHBondContact CE1-ND2 3.01Å; H202-N206 PolarHBondContact O-N 3.43Å
203	H	61.9	Low	67.8	Low	95 Å²	95	97 Å²	97	44%	0.44	49%	0.492	S	S	.	.	H	α-helix	trans	-72.2	-38.4	179.5	-72.5	73	0	0	0	112.4	W199 F200 K205 N206 T207	W199-H203 AromaticContact CD2-CE1 3.96Å; W199-H203 AromaticContact CE3-CE1 3.03Å; W199-H203 AromaticContact CE3-ND1 3.51Å; W199-H203 AromaticContact CE3-NE2 3.85Å; W199-H203 AromaticContact CZ3-CE1 3.07Å; W199-H203 WeakPolarHBondContact CZ3-CE1 3.41Å; W199-H203 AromaticContact CZ3-ND1 3.99Å; W199-H203 AromaticContact CZ3-NE2 3.52Å; W199-H203 PolarHBondContact O-N 3.48Å; W199-H203 PolarHBondContact O-ND1 3.46Å; F200-H203 PolarHBondContact O-N 2.89Å; H203-K205 PolarHBondContact O-N 2.97Å; H203-K205 VanDerWaalsContact O-N 3.15Å; H203-N206 PolarHBondContact O-N 3.32Å; H203-T207 PolarHBondContact O-N 3.08Å; H203-T207 PolarHBondContact O-OG1 3.4Å
204	S	59	Low	66.6	Low	71 Å²	71	103.1 Å²	103.1	50%	0.497	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.8	173.8	176.8	0	0	0	0	113.7	F200	F200-S204 WeakPolarHBondContact O-CB 3.5Å; F200-S204 PolarHBondContact O-N 2.76Å
205	K	56.7	Low	65.3	Low	174 Å²	174	101.6 Å²	101.6	76%	0.757	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-15	175.3	-74.9	178.5	-179.6	-176.4	0	113.4	K201 H202 H203	K201-K205 VanDerWaalsContact O-CG 3.32Å; K201-K205 WeakPolarHBondContact O-CG 3.25Å; H202-K205 PolarHBondContact O-N 3.4Å; H203-K205 PolarHBondContact O-N 2.97Å; H203-K205 VanDerWaalsContact O-N 3.15Å
206	N	49.3	Very low	63.9	Low	110 Å²	110	105.6 Å²	105.6	59%	0.588	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	1.6	-176	-77.3	-14.1	0	0	0	113.4	H202 H203 P208	H202-N206 PolarHBondContact CE1-ND2 3.01Å; H202-N206 PolarHBondContact O-N 3.43Å; H203-N206 PolarHBondContact O-N 3.32Å; N206-P208 WeakPolarHBondContact O-CD 3.36Å
207	T	39.6	Very low	62.3	Low	105 Å²	105	114.4 Å²	114.4	64%	0.644	58%	0.578	S	S	*	*			trans	-80.3	112.7	166.8	9.4	0	0	0	0	109.5	H203	H203-T207 PolarHBondContact O-N 3.08Å; H203-T207 PolarHBondContact O-OG1 3.4Å
208	P	43.5	Very low	60.5	Low	196 Å²	196	120 Å²	120	100%	1.273	61%	0.605	S	S	*	*			trans	-70.6	0	-179.8	29.9	-35.1	0	0	0	113.7	N206	N206-P208 WeakPolarHBondContact O-CD 3.36Å

Retrieved 208 of 208 residues in 289.7 ms (Link to these results)

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