A0A5K4F9K5_SCHMA Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2

Subunit of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). All subunits are required for a maximal enzyme activity.

AlphaFold DB , UniProt , Accession A0A5K4F9K5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.2	Very low	29.8	Very low	124 Å²	124	110.7 Å²	110.7	61%	0.611	60%	0.597	S	S	*	*				0	105	0	-137.4	158.9	165	0	0	108.1	V3 L4 V99	M1-V3 PolarHBondContact O-N 3.08Å; M1-L4 HydrophobicContact CE-CB 3.77Å; M1-L4 HydrophobicContact CE-CD1 4.38Å; M1-L4 HydrophobicContact CG-CB 4.38Å; M1-L4 HydrophobicContact CG-CD1 4.33Å; M1-V99 HydrophobicContact CB-CG2 3.75Å; M1-V99 WeakPolarHBondContact O-CG1 3.41Å; M1-V99 VanDerWaalsContact O-CG2 3.26Å; M1-V99 WeakPolarHBondContact O-CG2 3.46Å
2	L	26.9	Very low	30.7	Very low	125 Å²	125	110.3 Å²	110.3	65%	0.654	59%	0.588	S	S	*	*			trans	-43.8	133.7	141.7	-92.5	123.8	0	0	0	104.5	L4 K174	L2-L4 PolarHBondContact O-N 3.03Å; L2-K174 VanDerWaalsContact CD1-NZ 3.33Å
3	V	24.5	Very low	32	Very low	90 Å²	90	103 Å²	103	55%	0.545	56%	0.555	S	S	.	*			trans	-54.8	91.8	176.2	-174.4	0	0	0	0	106.2	M1 I5	M1-V3 PolarHBondContact O-N 3.08Å; V3-I5 HydrophobicContact CG1-CG1 3.61Å; V3-I5 PolarHBondContact O-N 2.75Å
4	L	24.2	Very low	33.2	Very low	122 Å²	122	102.3 Å²	102.3	64%	0.639	55%	0.55	S	S	*	*			trans	-69.9	87.9	157.4	-94.6	148.3	0	0	0	97.7	M1 L2 Q6	M1-L4 HydrophobicContact CE-CB 3.77Å; M1-L4 HydrophobicContact CE-CD1 4.38Å; M1-L4 HydrophobicContact CG-CB 4.38Å; M1-L4 HydrophobicContact CG-CD1 4.33Å; L2-L4 PolarHBondContact O-N 3.03Å; L4-Q6 PolarHBondContact O-N 3.04Å
5	I	27.7	Very low	34.7	Very low	89 Å²	89	101.3 Å²	101.3	46%	0.456	55%	0.545	S	S	.	.			trans	-57.3	93.4	152.4	-51.6	177.6	0	0	0	100.9	V3 V7 F171	V3-I5 HydrophobicContact CG1-CG1 3.61Å; V3-I5 PolarHBondContact O-N 2.75Å; I5-V7 HydrophobicContact CB-CG2 4.19Å; I5-V7 HydrophobicContact CG2-CG1 4.49Å; I5-V7 HydrophobicContact CG2-CG2 3.88Å; I5-V7 WeakPolarHBondContact O-CG2 3.32Å; I5-V7 PolarHBondContact O-N 3.24Å; I5-F171 HydrophobicContact CD1-CE2 4.41Å
6	Q	27.2	Very low	36.3	Very low	140 Å²	140	97.7 Å²	97.7	65%	0.654	53%	0.525	S	S	*	.			trans	-72.6	88.4	174.9	-166.3	171.7	-19.2	0	0	101.4	L4 D8	L4-Q6 PolarHBondContact O-N 3.04Å; Q6-D8 PolarHBondContact O-N 3.01Å
7	V	30.3	Very low	38.1	Very low	41 Å²	41	92.8 Å²	92.8	25%	0.248	50%	0.499	C	S	.	.			trans	-76.9	83	-172.4	-144.4	0	0	0	0	106.7	I5 G9 Q12 G13 D16	I5-V7 HydrophobicContact CB-CG2 4.19Å; I5-V7 HydrophobicContact CG2-CG1 4.49Å; I5-V7 HydrophobicContact CG2-CG2 3.88Å; I5-V7 WeakPolarHBondContact O-CG2 3.32Å; I5-V7 PolarHBondContact O-N 3.24Å; V7-G9 PolarHBondContact O-N 2.87Å; V7-Q12 VanDerWaalsContact CG1-C 3.49Å; V7-Q12 HydrophobicContact CG1-CB 3.7Å; V7-Q12 HydrophobicContact CG1-CG 3.61Å; V7-G13 VanDerWaalsContact CG1-CA 3.47Å; V7-D16 WeakPolarHBondContact CG1-OD2 3.37Å
8	D	30.8	Very low	40	Very low	139 Å²	139	94.9 Å²	94.9	74%	0.743	50%	0.503	S	S	*	.	S	Bend	trans	-57.9	116.2	168.6	-82.7	-26.7	0	0	0	107.4	Q6	Q6-D8 PolarHBondContact O-N 3.01Å
9	G	33.3	Very low	41.7	Very low	45 Å²	45	94.3 Å²	94.3	46%	0.464	50%	0.503	S	S	.	.	S	Bend	trans	102.3	103.8	-172.6	0	0	0	0	0	111.5	V7 K11 Q12 G13	V7-G9 PolarHBondContact O-N 2.87Å; G9-K11 PolarHBondContact O-N 3.37Å; G9-Q12 WeakPolarHBondContact O-CA 3.26Å; G9-Q12 PolarHBondContact O-N 3.15Å; G9-G13 PolarHBondContact O-N 2.79Å
10	T	42.4	Very low	42.9	Very low	130 Å²	130	90.1 Å²	90.1	80%	0.798	48%	0.482	S	S	*	.	H	α-helix	trans	-49.9	-30.2	173.2	42.5	0	0	0	0	113.4	L14	T10-L14 VanDerWaalsContact O-CB 3.28Å; T10-L14 WeakPolarHBondContact O-CB 3.34Å; T10-L14 PolarHBondContact O-N 2.78Å
11	K	35	Very low	44.5	Very low	173 Å²	173	88.5 Å²	88.5	75%	0.752	47%	0.472	S	S	*	.	H	α-helix	trans	-68.3	-45.6	172.1	-76.9	-173.7	178.1	179.1	0	113	G9 L14 N15	G9-K11 PolarHBondContact O-N 3.37Å; K11-L14 PolarHBondContact O-N 3.17Å; K11-N15 WeakPolarHBondContact O-CB 3.37Å; K11-N15 VanDerWaalsContact O-CG 3.27Å; K11-N15 PolarHBondContact O-N 3.06Å
12	Q	40.2	Very low	47	Very low	106 Å²	106	86.1 Å²	86.1	50%	0.495	46%	0.461	S	S	.	.	H	α-helix	trans	-65.1	-44.2	177.5	-165.7	71.6	11.8	0	0	109.9	V7 G9 L14 N15 D16	V7-Q12 VanDerWaalsContact CG1-C 3.49Å; V7-Q12 HydrophobicContact CG1-CB 3.7Å; V7-Q12 HydrophobicContact CG1-CG 3.61Å; G9-Q12 WeakPolarHBondContact O-CA 3.26Å; G9-Q12 PolarHBondContact O-N 3.15Å; Q12-L14 VanDerWaalsContact C-N 3.31Å; Q12-L14 PolarHBondContact O-N 3.25Å; Q12-N15 PolarHBondContact O-N 3.36Å; Q12-D16 WeakPolarHBondContact O-CB 3.49Å; Q12-D16 PolarHBondContact O-N 3.23Å
13	G	47.1	Very low	49.4	Very low	15 Å²	15	82.3 Å²	82.3	16%	0.155	44%	0.443	C	S	.	.	H	α-helix	trans	-64.7	-31.4	175.9	0	0	0	0	0	114.2	V7 G9 L17	V7-G13 VanDerWaalsContact CG1-CA 3.47Å; G9-G13 PolarHBondContact O-N 2.79Å; G13-L17 WeakPolarHBondContact O-CB 3.18Å; G13-L17 PolarHBondContact O-N 2.99Å
14	L	49.1	Very low	51.9	Low	93 Å²	93	78.8 Å²	78.8	49%	0.487	42%	0.421	S	S	.	.	H	α-helix	trans	-72.4	-41.9	173.2	-161.7	87.7	0	0	0	111.5	T10 K11 Q12 D16 L17 K18	T10-L14 VanDerWaalsContact O-CB 3.28Å; T10-L14 WeakPolarHBondContact O-CB 3.34Å; T10-L14 PolarHBondContact O-N 2.78Å; K11-L14 PolarHBondContact O-N 3.17Å; Q12-L14 VanDerWaalsContact C-N 3.31Å; Q12-L14 PolarHBondContact O-N 3.25Å; L14-D16 VanDerWaalsContact C-N 3.34Å; L14-L17 PolarHBondContact O-N 2.93Å; L14-K18 WeakPolarHBondContact O-CB 3.45Å; L14-K18 PolarHBondContact O-N 3.46Å
15	N	55.9	Low	54.6	Low	87 Å²	87	79 Å²	79	47%	0.465	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175.3	-73.2	-14.1	0	0	0	110.6	K11 Q12 L17 K18 T19	K11-N15 WeakPolarHBondContact O-CB 3.37Å; K11-N15 VanDerWaalsContact O-CG 3.27Å; K11-N15 PolarHBondContact O-N 3.06Å; Q12-N15 PolarHBondContact O-N 3.36Å; N15-L17 VanDerWaalsContact C-N 3.34Å; N15-L17 PolarHBondContact O-N 3.47Å; N15-K18 PolarHBondContact O-N 3.46Å; N15-T19 VanDerWaalsContact O-CB 3.29Å; N15-T19 WeakPolarHBondContact O-CB 3.28Å; N15-T19 PolarHBondContact O-N 3.13Å; N15-T19 PolarHBondContact O-OG1 2.82Å
16	D	60.5	Low	57.2	Low	44 Å²	44	79.6 Å²	79.6	24%	0.235	42%	0.421	C	S	.	.	H	α-helix	trans	-62.9	-41.4	176.7	-67.5	-8.2	0	0	0	111.4	V7 Q12 L14 A20	V7-D16 WeakPolarHBondContact CG1-OD2 3.37Å; Q12-D16 WeakPolarHBondContact O-CB 3.49Å; Q12-D16 PolarHBondContact O-N 3.23Å; L14-D16 VanDerWaalsContact C-N 3.34Å; D16-A20 VanDerWaalsContact O-CB 3.28Å; D16-A20 WeakPolarHBondContact O-CB 3.03Å; D16-A20 PolarHBondContact O-N 3.46Å
17	L	66.4	Low	59.6	Low	14 Å²	14	73.2 Å²	73.2	7%	0.073	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-46.7	176.3	-174.8	66.8	0	0	0	112.1	G13 L14 N15 T19 A20 E21 V172 T175 K176	G13-L17 WeakPolarHBondContact O-CB 3.18Å; G13-L17 PolarHBondContact O-N 2.99Å; L14-L17 PolarHBondContact O-N 2.93Å; N15-L17 VanDerWaalsContact C-N 3.34Å; N15-L17 PolarHBondContact O-N 3.47Å; L17-T19 VanDerWaalsContact C-N 3.33Å; L17-T19 PolarHBondContact O-N 3.5Å; L17-A20 PolarHBondContact O-N 2.78Å; L17-E21 WeakPolarHBondContact O-CG 3.39Å; L17-E21 PolarHBondContact O-N 2.92Å; L17-V172 HydrophobicContact CD1-CB 4.31Å; L17-V172 HydrophobicContact CD1-CG1 3.99Å; L17-V172 HydrophobicContact CD1-CG2 4.2Å; L17-T175 HydrophobicContact CD1-CG2 4.15Å; L17-K176 HydrophobicContact CD1-CG 4.47Å; L17-K176 HydrophobicContact CD2-CG 4.44Å
18	K	71.8	Confident	62.1	Low	131 Å²	131	74.5 Å²	74.5	57%	0.57	40%	0.396	S	S	*	.	H	α-helix	trans	-64.3	-40.1	179.2	-172.8	179.2	-179.3	-176.6	0	111.1	L14 N15 E21 N22	L14-K18 WeakPolarHBondContact O-CB 3.45Å; L14-K18 PolarHBondContact O-N 3.46Å; N15-K18 PolarHBondContact O-N 3.46Å; K18-E21 PolarHBondContact O-N 3.24Å; K18-N22 WeakPolarHBondContact O-CB 3.11Å; K18-N22 VanDerWaalsContact O-CG 3.31Å; K18-N22 PolarHBondContact O-N 2.97Å
19	T	72.6	Confident	64.8	Low	83 Å²	83	71.6 Å²	71.6	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-49.6	173.1	-62.1	0	0	0	0	110.5	N15 L17 E21 N22 T23	N15-T19 VanDerWaalsContact O-CB 3.29Å; N15-T19 WeakPolarHBondContact O-CB 3.28Å; N15-T19 PolarHBondContact O-N 3.13Å; N15-T19 PolarHBondContact O-OG1 2.82Å; L17-T19 VanDerWaalsContact C-N 3.33Å; L17-T19 PolarHBondContact O-N 3.5Å; T19-E21 VanDerWaalsContact C-N 3.34Å; T19-E21 PolarHBondContact O-N 3.35Å; T19-N22 PolarHBondContact O-N 3.29Å; T19-N22 VanDerWaalsContact O-N 3.14Å; T19-T23 PolarHBondContact O-N 2.91Å; T19-T23 PolarHBondContact O-OG1 3.07Å; T19-T23 VanDerWaalsContact O-OG1 3.05Å
20	A	66.6	Low	67.3	Low	10 Å²	10	72.5 Å²	72.5	8%	0.083	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-40.3	177.2	0	0	0	0	0	112.8	D16 L17 T23 L24 I168 F171 V172	D16-A20 VanDerWaalsContact O-CB 3.28Å; D16-A20 WeakPolarHBondContact O-CB 3.03Å; D16-A20 PolarHBondContact O-N 3.46Å; L17-A20 PolarHBondContact O-N 2.78Å; A20-T23 PolarHBondContact O-N 3.38Å; A20-L24 WeakPolarHBondContact O-CG 3.37Å; A20-L24 PolarHBondContact O-N 3.48Å; A20-I168 HydrophobicContact CB-CG2 3.92Å; A20-F171 HydrophobicContact CB-CD1 4.14Å; A20-F171 HydrophobicContact CB-CE1 4.25Å; A20-V172 HydrophobicContact CB-CG2 3.58Å
21	E	76.5	Confident	69.2	Low	58 Å²	58	67.2 Å²	67.2	27%	0.271	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-39.9	174.4	-74.8	-178.1	157.9	0	0	112.8	L17 K18 T19 L24 K25 V172 K176	L17-E21 WeakPolarHBondContact O-CG 3.39Å; L17-E21 PolarHBondContact O-N 2.92Å; K18-E21 PolarHBondContact O-N 3.24Å; T19-E21 VanDerWaalsContact C-N 3.34Å; T19-E21 PolarHBondContact O-N 3.35Å; E21-L24 PolarHBondContact O-N 3.48Å; E21-K25 WeakPolarHBondContact O-CG 3.47Å; E21-K25 PolarHBondContact O-N 3.19Å; E21-K25 VanDerWaalsContact O-N 3.13Å; E21-V172 HydrophobicContact CG-CG1 4.15Å; E21-K176 WeakPolarHBondContact OE1-CE 3.2Å; E21-K176 IonicContact OE1-NZ 3.76Å; E21-K176 PolarHBondContact OE1-NZ 3.46Å
22	N	78.9	Confident	71.6	Confident	73 Å²	73	66.3 Å²	66.3	39%	0.39	33%	0.333	S	S	.	.	H	α-helix	trans	-66.9	-43	174.7	-74	-17.4	0	0	0	111.2	K18 T19 L24 K25 N26	K18-N22 WeakPolarHBondContact O-CB 3.11Å; K18-N22 VanDerWaalsContact O-CG 3.31Å; K18-N22 PolarHBondContact O-N 2.97Å; T19-N22 PolarHBondContact O-N 3.29Å; T19-N22 VanDerWaalsContact O-N 3.14Å; N22-L24 VanDerWaalsContact C-N 3.3Å; N22-L24 PolarHBondContact O-N 2.95Å; N22-K25 PolarHBondContact O-N 2.89Å; N22-N26 PolarHBondContact O-N 3.42Å
23	T	76.9	Confident	74	Confident	45 Å²	45	66 Å²	66	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-41.3	174.4	-55.5	0	0	0	0	111.3	T19 A20 K25 N26 L27 I168	T19-T23 PolarHBondContact O-N 2.91Å; T19-T23 PolarHBondContact O-OG1 3.07Å; T19-T23 VanDerWaalsContact O-OG1 3.05Å; A20-T23 PolarHBondContact O-N 3.38Å; T23-K25 PolarHBondContact O-N 3.2Å; T23-N26 PolarHBondContact O-N 3.32Å; T23-L27 HydrophobicContact CG2-CD1 4.01Å; T23-L27 HydrophobicContact CG2-CG 4.36Å; T23-L27 WeakPolarHBondContact O-CB 3.43Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 3.4Å; T23-I168 HydrophobicContact CG2-CD1 3.56Å
24	L	75.9	Confident	75.9	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-43.3	174.5	-78	172.8	0	0	0	112.8	A20 E21 N22 L27 I28 I168 F169 V172	A20-L24 WeakPolarHBondContact O-CG 3.37Å; A20-L24 PolarHBondContact O-N 3.48Å; E21-L24 PolarHBondContact O-N 3.48Å; N22-L24 VanDerWaalsContact C-N 3.3Å; N22-L24 PolarHBondContact O-N 2.95Å; L24-L27 PolarHBondContact O-N 2.97Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.41Å; L24-I168 HydrophobicContact CD1-CG2 4.15Å; L24-I168 HydrophobicContact CD2-CB 3.9Å; L24-I168 HydrophobicContact CD2-CG2 3.89Å; L24-I168 HydrophobicContact CG-CB 4.24Å; L24-I168 HydrophobicContact CG-CG2 3.64Å; L24-F169 HydrophobicContact CD2-CB 4.14Å; L24-V172 HydrophobicContact CD1-CB 4.11Å; L24-V172 HydrophobicContact CD1-CG1 4.43Å; L24-V172 HydrophobicContact CD1-CG2 3.73Å
25	K	81.2	Confident	77.6	Confident	128 Å²	128	65.2 Å²	65.2	56%	0.557	32%	0.324	S	S	*	.	H	α-helix	trans	-61	-47.3	176.5	-71.5	174.9	-176.9	174.5	0	111.1	E21 N22 T23 L27 I28 D29	E21-K25 WeakPolarHBondContact O-CG 3.47Å; E21-K25 PolarHBondContact O-N 3.19Å; E21-K25 VanDerWaalsContact O-N 3.13Å; N22-K25 PolarHBondContact O-N 2.89Å; T23-K25 PolarHBondContact O-N 3.2Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.86Å; K25-I28 WeakPolarHBondContact O-CB 3.48Å; K25-I28 PolarHBondContact O-N 2.04Å; K25-D29 PolarHBondContact O-N 3.45Å
26	N	82.7	Confident	79.3	Confident	101 Å²	101	65.1 Å²	65.1	54%	0.54	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-42.4	177.8	-67.1	-7.7	0	0	0	111.6	N22 T23 I28 D29 I30	N22-N26 PolarHBondContact O-N 3.42Å; T23-N26 PolarHBondContact O-N 3.32Å; N26-I28 VanDerWaalsContact C-N 3.33Å; N26-I28 PolarHBondContact O-N 3.48Å; N26-D29 PolarHBondContact O-N 3.12Å; N26-I30 WeakPolarHBondContact O-CG1 3.45Å; N26-I30 PolarHBondContact O-N 3.22Å
27	L	77.4	Confident	80.9	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-35.4	176.8	-78.6	170.7	0	0	0	112.6	T23 L24 K25 D29 I30 L31 H161 E164 H165 I168	T23-L27 HydrophobicContact CG2-CD1 4.01Å; T23-L27 HydrophobicContact CG2-CG 4.36Å; T23-L27 WeakPolarHBondContact O-CB 3.43Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 3.4Å; L24-L27 PolarHBondContact O-N 2.97Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.86Å; L27-D29 VanDerWaalsContact C-N 3.32Å; L27-I30 HydrophobicContact CD2-CD1 4.5Å; L27-I30 PolarHBondContact O-N 2.85Å; L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.34Å; L27-H161 HydrophobicContact CD2-CB 4.35Å; L27-E164 HydrophobicContact CD1-CB 4.4Å; L27-E164 HydrophobicContact CD1-CG 3.92Å; L27-H165 HydrophobicContact CB-CB 4.46Å; L27-H165 HydrophobicContact CD1-CB 4.29Å; L27-I168 HydrophobicContact CD1-CD1 3.73Å
28	I	82.6	Confident	81.8	Confident	67 Å²	67	66.2 Å²	66.2	34%	0.344	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-42.7	174.3	-72	164.1	0	0	0	110.6	L24 K25 N26 L31 R32	L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.41Å; K25-I28 WeakPolarHBondContact O-CB 3.48Å; K25-I28 PolarHBondContact O-N 2.04Å; N26-I28 VanDerWaalsContact C-N 3.33Å; N26-I28 PolarHBondContact O-N 3.48Å; I28-L31 PolarHBondContact O-N 3.25Å; I28-R32 WeakPolarHBondContact O-CG 3.49Å; I28-R32 PolarHBondContact O-N 3.48Å; I28-R32 VanDerWaalsContact O-N 3.08Å
29	D	87.4	Confident	82.7	Confident	78 Å²	78	66 Å²	66	42%	0.417	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-38.5	178.3	-68.7	-29.7	0	0	0	111.8	K25 N26 L27 R32 I33	K25-D29 PolarHBondContact O-N 3.45Å; N26-D29 PolarHBondContact O-N 3.12Å; L27-D29 VanDerWaalsContact C-N 3.32Å; D29-R32 WeakPolarHBondContact O-CB 3.37Å; D29-R32 PolarHBondContact O-N 2.82Å; D29-R32 IonicContact OD1-NH1 2.63Å; D29-R32 PolarHBondContact OD1-NH1 2.94Å; D29-I33 WeakPolarHBondContact O-CG1 3.3Å; D29-I33 PolarHBondContact O-N 3.47Å; D29-I33 VanDerWaalsContact O-N 3.16Å
30	I	85.6	Confident	83.8	Confident	64 Å²	64	65.7 Å²	65.7	33%	0.328	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-46.8	172.1	-68	166.5	0	0	0	111.1	N26 L27 R32 I33 D34 H161	N26-I30 WeakPolarHBondContact O-CG1 3.45Å; N26-I30 PolarHBondContact O-N 3.22Å; L27-I30 HydrophobicContact CD2-CD1 4.5Å; L27-I30 PolarHBondContact O-N 2.85Å; I30-R32 VanDerWaalsContact C-N 3.25Å; I30-R32 PolarHBondContact O-N 3.28Å; I30-I33 WeakPolarHBondContact O-CA 3.49Å; I30-I33 WeakPolarHBondContact O-CB 3.48Å; I30-I33 PolarHBondContact O-N 3.03Å; I30-D34 PolarHBondContact O-N 2.89Å; I30-H161 VanDerWaalsContact CG2-CE1 3.41Å; I30-H161 WeakPolarHBondContact CG2-CE1 3.15Å; I30-H161 VanDerWaalsContact CG2-ND1 3.3Å; I30-H161 WeakPolarHBondContact CG2-ND1 3.41Å
31	L	82.7	Confident	85	Confident	20 Å²	20	65.8 Å²	65.8	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-60	-35.6	178.4	-77.4	167.5	0	0	0	112.4	L27 I28 E35 Y158 H161 L162 H165	L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.34Å; I28-L31 PolarHBondContact O-N 3.25Å; L31-E35 WeakPolarHBondContact O-CB 3.49Å; L31-E35 PolarHBondContact O-N 2.99Å; L31-Y158 HydrophobicContact CD2-CD2 3.84Å; L31-Y158 HydrophobicContact CD2-CE2 3.76Å; L31-H161 HydrophobicContact CD2-CB 3.85Å; L31-H161 HydrophobicContact CG-CB 4.27Å; L31-L162 HydrophobicContact CD1-CD1 4.27Å; L31-L162 HydrophobicContact CD2-CB 4.03Å; L31-L162 HydrophobicContact CD2-CD1 4.4Å; L31-H165 HydrophobicContact CD1-CB 4.08Å
32	R	85.9	Confident	85.8	Confident	154 Å²	154	68.9 Å²	68.9	58%	0.581	33%	0.333	S	S	*	.	H	α-helix	trans	-65.5	-39.8	174.1	-74.1	168.2	171.8	171	-7.3	112	I28 D29 I30 L36	I28-R32 WeakPolarHBondContact O-CG 3.49Å; I28-R32 PolarHBondContact O-N 3.48Å; I28-R32 VanDerWaalsContact O-N 3.08Å; D29-R32 WeakPolarHBondContact O-CB 3.37Å; D29-R32 PolarHBondContact O-N 2.82Å; D29-R32 IonicContact OD1-NH1 2.63Å; D29-R32 PolarHBondContact OD1-NH1 2.94Å; I30-R32 VanDerWaalsContact C-N 3.25Å; I30-R32 PolarHBondContact O-N 3.28Å; R32-L36 PolarHBondContact O-N 2.74Å
33	I	91.2	Very high	86.6	Confident	99 Å²	99	69.2 Å²	69.2	51%	0.508	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-49.1	175.8	-66.6	166.3	0	0	0	109.8	D29 I30 E35 L36 D37	D29-I33 WeakPolarHBondContact O-CG1 3.3Å; D29-I33 PolarHBondContact O-N 3.47Å; D29-I33 VanDerWaalsContact O-N 3.16Å; I30-I33 WeakPolarHBondContact O-CA 3.49Å; I30-I33 WeakPolarHBondContact O-CB 3.48Å; I30-I33 PolarHBondContact O-N 3.03Å; I33-E35 VanDerWaalsContact C-N 3.29Å; I33-E35 PolarHBondContact O-N 3.3Å; I33-L36 WeakPolarHBondContact O-CB 3.48Å; I33-L36 PolarHBondContact O-N 2.78Å; I33-L36 VanDerWaalsContact O-N 3.1Å; I33-D37 PolarHBondContact O-N 3.31Å
34	D	86.1	Confident	87.5	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.043	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-39.3	177.8	-74.2	-28.4	0	0	0	112.4	I30 D37 L38 Y158 H161	I30-D34 PolarHBondContact O-N 2.89Å; D34-D37 PolarHBondContact O-N 2.97Å; D34-L38 WeakPolarHBondContact O-CB 3.43Å; D34-L38 PolarHBondContact O-N 3.19Å; D34-Y158 HydrophobicContact CB-CD2 3.74Å; D34-Y158 HydrophobicContact CB-CG 4.39Å; D34-H161 IonicContact OD2-CE1 2.58Å; D34-H161 IonicContact OD2-CG 3.53Å; D34-H161 IonicContact OD2-ND1 2.81Å; D34-H161 PolarHBondContact OD2-ND1 3.19Å
35	E	85.7	Confident	88.4	Confident	84 Å²	84	70.5 Å²	70.5	39%	0.393	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-38.8	176.2	-167.3	-170.7	155.2	0	0	111.9	L31 I33 L38 R39 Y158	L31-E35 WeakPolarHBondContact O-CB 3.49Å; L31-E35 PolarHBondContact O-N 2.99Å; I33-E35 VanDerWaalsContact C-N 3.29Å; I33-E35 PolarHBondContact O-N 3.3Å; E35-L38 PolarHBondContact O-N 2.91Å; E35-R39 PolarHBondContact O-N 2.87Å; E35-R39 IonicContact OE1-CZ 2.69Å; E35-R39 IonicContact OE1-NH1 3.03Å; E35-R39 PolarHBondContact OE1-NH1 3.44Å; E35-R39 IonicContact OE1-NH2 2.7Å; E35-Y158 HydrophobicContact CB-CE2 4.42Å
36	L	91.2	Very high	89.1	Confident	84 Å²	84	69.7 Å²	69.7	44%	0.44	33%	0.334	S	S	.	.	H	α-helix	trans	-64.8	-46.8	173.3	179.9	67.7	0	0	0	111.1	R32 I33 L38 R39 N40	R32-L36 PolarHBondContact O-N 2.74Å; I33-L36 WeakPolarHBondContact O-CB 3.48Å; I33-L36 PolarHBondContact O-N 2.78Å; I33-L36 VanDerWaalsContact O-N 3.1Å; L36-L38 VanDerWaalsContact C-N 3.27Å; L36-L38 PolarHBondContact O-N 3.36Å; L36-R39 WeakPolarHBondContact O-CB 3.29Å; L36-R39 PolarHBondContact O-N 3.21Å; L36-R39 VanDerWaalsContact O-N 3.15Å; L36-N40 VanDerWaalsContact O-CG 3.28Å; L36-N40 PolarHBondContact O-N 3.35Å; L36-N40 PolarHBondContact O-ND2 2.96Å
37	D	93	Very high	89.6	Confident	56 Å²	56	70.3 Å²	70.3	30%	0.299	33%	0.332	S	S	.	.	H	α-helix	trans	-59.1	-39.7	176.6	-79.7	-5.9	0	0	0	111.5	I33 D34 N40 A41 I154	I33-D37 PolarHBondContact O-N 3.31Å; D34-D37 PolarHBondContact O-N 2.97Å; D37-N40 PolarHBondContact O-N 2.91Å; D37-A41 WeakPolarHBondContact O-CB 3.04Å; D37-A41 PolarHBondContact O-N 3.47Å; D37-I154 HydrophobicContact CB-CD1 4.23Å; D37-I154 HydrophobicContact CB-CG1 4.43Å; D37-I154 HydrophobicContact CB-CG2 3.77Å
38	L	86.9	Confident	90.4	Very high	26 Å²	26	71 Å²	71	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-40	177	-174.5	64.7	0	0	0	111.8	D34 E35 L36 K42 K151 I154 L155	D34-L38 WeakPolarHBondContact O-CB 3.43Å; D34-L38 PolarHBondContact O-N 3.19Å; E35-L38 PolarHBondContact O-N 2.91Å; L36-L38 VanDerWaalsContact C-N 3.27Å; L36-L38 PolarHBondContact O-N 3.36Å; L38-K42 WeakPolarHBondContact O-CG 3.33Å; L38-K42 PolarHBondContact O-N 2.86Å; L38-K42 VanDerWaalsContact O-N 3.1Å; L38-K151 HydrophobicContact CD1-CG 3.8Å; L38-I154 HydrophobicContact CB-CG2 4.09Å; L38-L155 HydrophobicContact CD1-CB 4.31Å; L38-L155 HydrophobicContact CD2-CD1 4.23Å
39	R	89.6	Confident	90.8	Very high	125 Å²	125	68.4 Å²	68.4	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-47.3	173.4	-79.4	-172.5	-74.7	-104.1	-7.8	111.3	E35 L36 A41 K42 E43	E35-R39 PolarHBondContact O-N 2.87Å; E35-R39 IonicContact OE1-CZ 2.69Å; E35-R39 IonicContact OE1-NH1 3.03Å; E35-R39 PolarHBondContact OE1-NH1 3.44Å; E35-R39 IonicContact OE1-NH2 2.7Å; L36-R39 WeakPolarHBondContact O-CB 3.29Å; L36-R39 PolarHBondContact O-N 3.21Å; L36-R39 VanDerWaalsContact O-N 3.15Å; R39-A41 PolarHBondContact O-N 2.69Å; R39-K42 PolarHBondContact O-N 3.3Å; R39-E43 PolarHBondContact O-N 2.95Å
40	N	95.5	Very high	91	Very high	77 Å²	77	66.9 Å²	66.9	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-45.5	178.9	-68.4	-17.5	0	0	0	111	L36 D37 K42 E43 D44	L36-N40 VanDerWaalsContact O-CG 3.28Å; L36-N40 PolarHBondContact O-N 3.35Å; L36-N40 PolarHBondContact O-ND2 2.96Å; D37-N40 PolarHBondContact O-N 2.91Å; N40-K42 VanDerWaalsContact C-N 3.32Å; N40-K42 PolarHBondContact O-N 3.42Å; N40-E43 PolarHBondContact O-N 3.19Å; N40-E43 VanDerWaalsContact O-N 3.15Å; N40-D44 VanDerWaalsContact O-CG 3.3Å; N40-D44 PolarHBondContact O-N 3.21Å
41	A	93	Very high	91.2	Very high	12 Å²	12	68.4 Å²	68.4	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-36.7	177.8	0	0	0	0	0	113.1	D37 R39 I45 K151 I154	D37-A41 WeakPolarHBondContact O-CB 3.04Å; D37-A41 PolarHBondContact O-N 3.47Å; R39-A41 PolarHBondContact O-N 2.69Å; A41-I45 VanDerWaalsContact O-CG1 3.3Å; A41-I45 WeakPolarHBondContact O-CG1 3.04Å; A41-I45 PolarHBondContact O-N 2.71Å; A41-I45 VanDerWaalsContact O-N 3.15Å; A41-K151 HydrophobicContact CB-CB 3.9Å; A41-K151 HydrophobicContact CB-CG 3.98Å; A41-I154 HydrophobicContact CB-CD1 3.85Å
42	K	91.4	Very high	91.5	Very high	123 Å²	123	67.9 Å²	67.9	54%	0.535	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-42.7	173.7	-75.3	176.7	179.9	-176.3	0	111.9	L38 R39 N40 K46 K151	L38-K42 WeakPolarHBondContact O-CG 3.33Å; L38-K42 PolarHBondContact O-N 2.86Å; L38-K42 VanDerWaalsContact O-N 3.1Å; R39-K42 PolarHBondContact O-N 3.3Å; N40-K42 VanDerWaalsContact C-N 3.32Å; N40-K42 PolarHBondContact O-N 3.42Å; K42-K46 PolarHBondContact O-N 3.31Å; K42-K46 VanDerWaalsContact O-N 3.08Å; K42-K151 HydrophobicContact CG-CD 3.89Å
43	E	95.8	Very high	91.7	Very high	81 Å²	81	61.2 Å²	61.2	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-68.2	-40.2	179.2	-173.8	58.2	-154.5	0	0	111.8	R39 N40 I45 K46 K47	R39-E43 PolarHBondContact O-N 2.95Å; N40-E43 PolarHBondContact O-N 3.19Å; N40-E43 VanDerWaalsContact O-N 3.15Å; E43-I45 PolarHBondContact O-N 3.4Å; E43-K46 WeakPolarHBondContact O-CB 3.44Å; E43-K46 PolarHBondContact O-N 3.44Å; E43-K47 HydrophobicContact CG-CD 4.45Å; E43-K47 WeakPolarHBondContact O-CG 3.46Å; E43-K47 PolarHBondContact O-N 3Å; E43-K47 WeakPolarHBondContact OE1-CE 3.37Å
44	D	96	Very high	91.5	Very high	79 Å²	79	64.2 Å²	64.2	42%	0.422	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-42.3	176.5	-70.8	-17.7	0	0	0	111.9	N40 K46 K47 Q48	N40-D44 VanDerWaalsContact O-CG 3.3Å; N40-D44 PolarHBondContact O-N 3.21Å; D44-K46 VanDerWaalsContact C-N 3.34Å; D44-K46 PolarHBondContact O-N 3.49Å; D44-K47 PolarHBondContact O-N 3.15Å; D44-Q48 WeakPolarHBondContact O-CB 3.34Å; D44-Q48 PolarHBondContact O-N 2.65Å
45	I	95.7	Very high	91.4	Very high	8 Å²	8	67.5 Å²	67.5	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-44.9	173.4	-72.1	171	0	0	0	110.7	A41 E43 K47 Q48 I49 V67 L144 M147 A148 K151	A41-I45 VanDerWaalsContact O-CG1 3.3Å; A41-I45 WeakPolarHBondContact O-CG1 3.04Å; A41-I45 PolarHBondContact O-N 2.71Å; A41-I45 VanDerWaalsContact O-N 3.15Å; E43-I45 PolarHBondContact O-N 3.4Å; I45-K47 PolarHBondContact O-N 2.93Å; I45-Q48 PolarHBondContact O-N 3.09Å; I45-I49 HydrophobicContact CG2-CD1 3.99Å; I45-I49 HydrophobicContact CG2-CG1 4.49Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 3.27Å; I45-V67 HydrophobicContact CG2-CG1 3.98Å; I45-V67 HydrophobicContact CG2-CG2 4.04Å; I45-L144 HydrophobicContact CG2-CD1 4Å; I45-M147 HydrophobicContact CD1-CB 4.47Å; I45-M147 HydrophobicContact CG1-CB 3.72Å; I45-A148 HydrophobicContact CD1-CB 4.43Å; I45-K151 HydrophobicContact CD1-CB 4.05Å; I45-K151 HydrophobicContact CD1-CD 3.76Å; I45-K151 HydrophobicContact CD1-CG 4.47Å
46	K	94.6	Very high	91.3	Very high	111 Å²	111	65.3 Å²	65.3	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-47.1	178.9	-175.6	-173.8	172.8	-167.9	0	111.1	K42 E43 D44 Q48 I49 D50	K42-K46 PolarHBondContact O-N 3.31Å; K42-K46 VanDerWaalsContact O-N 3.08Å; E43-K46 WeakPolarHBondContact O-CB 3.44Å; E43-K46 PolarHBondContact O-N 3.44Å; D44-K46 VanDerWaalsContact C-N 3.34Å; D44-K46 PolarHBondContact O-N 3.49Å; K46-Q48 VanDerWaalsContact C-N 3.32Å; K46-Q48 PolarHBondContact O-N 3.16Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 2.73Å; K46-D50 VanDerWaalsContact O-CG 3.29Å; K46-D50 PolarHBondContact O-N 2.94Å
47	K	94.4	Very high	90.9	Very high	114 Å²	114	65.5 Å²	65.5	50%	0.496	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-40.2	175.6	-71.9	171.8	-178.6	168.1	0	112.4	E43 D44 I45 D50 K51	E43-K47 HydrophobicContact CG-CD 4.45Å; E43-K47 WeakPolarHBondContact O-CG 3.46Å; E43-K47 PolarHBondContact O-N 3Å; E43-K47 WeakPolarHBondContact OE1-CE 3.37Å; D44-K47 PolarHBondContact O-N 3.15Å; I45-K47 PolarHBondContact O-N 2.93Å; K47-D50 PolarHBondContact O-N 3.47Å; K47-K51 PolarHBondContact O-N 3.45Å
48	Q	93.1	Very high	90.4	Very high	21 Å²	21	70.1 Å²	70.1	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-38.4	176.9	-175	63	17.9	0	0	111.8	D44 I45 K46 L52 D140 L144 M147	D44-Q48 WeakPolarHBondContact O-CB 3.34Å; D44-Q48 PolarHBondContact O-N 2.65Å; I45-Q48 PolarHBondContact O-N 3.09Å; K46-Q48 VanDerWaalsContact C-N 3.32Å; K46-Q48 PolarHBondContact O-N 3.16Å; Q48-L52 HydrophobicContact CG-CD1 4.46Å; Q48-L52 WeakPolarHBondContact O-CB 3.43Å; Q48-L52 WeakPolarHBondContact O-CG 3.34Å; Q48-L52 PolarHBondContact O-N 3.23Å; Q48-D140 PolarHBondContact NE2-O 3.24Å; Q48-D140 PolarHBondContact NE2-OD1 3.13Å; Q48-L144 HydrophobicContact CB-CD1 4.26Å; Q48-L144 HydrophobicContact CG-CB 4.12Å; Q48-L144 HydrophobicContact CG-CD1 4.08Å; Q48-M147 HydrophobicContact CB-CE 4.37Å; Q48-M147 HydrophobicContact CB-SD 3.76Å; Q48-M147 HydrophobicContact CG-CE 4.44Å; Q48-M147 HydrophobicContact CG-SD 3.99Å
49	I	91.8	Very high	90.5	Very high	12 Å²	12	72 Å²	72	6%	0.062	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-45.8	171.5	-67.1	171	0	0	0	110.2	I45 K46 K51 L52 V53 R60 V67 L144	I45-I49 HydrophobicContact CG2-CD1 3.99Å; I45-I49 HydrophobicContact CG2-CG1 4.49Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 3.27Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 2.73Å; I49-K51 VanDerWaalsContact C-N 3.33Å; I49-K51 PolarHBondContact O-N 3.18Å; I49-L52 WeakPolarHBondContact O-CB 3.38Å; I49-L52 PolarHBondContact O-N 2.96Å; I49-L52 VanDerWaalsContact O-N 3.12Å; I49-V53 HydrophobicContact CG2-CG2 4.02Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.5Å; I49-V53 PolarHBondContact O-N 2.86Å; I49-R60 HydrophobicContact CG2-CG 4.39Å; I49-V67 HydrophobicContact CD1-CG2 4.2Å; I49-L144 HydrophobicContact CG1-CD1 3.99Å; I49-L144 HydrophobicContact CG1-CD2 4.42Å
50	D	91.8	Very high	90.5	Very high	47 Å²	47	71.1 Å²	71.1	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-46.5	179	-69.4	-26.7	0	0	0	111.2	K46 K47 L52 V53 E54 R60	K46-D50 VanDerWaalsContact O-CG 3.29Å; K46-D50 PolarHBondContact O-N 2.94Å; K47-D50 PolarHBondContact O-N 3.47Å; D50-L52 PolarHBondContact O-N 3.46Å; D50-V53 PolarHBondContact O-N 3.41Å; D50-E54 WeakPolarHBondContact O-CG 3.37Å; D50-E54 PolarHBondContact O-N 3.39Å; D50-R60 IonicContact OD1-CZ 2.79Å; D50-R60 IonicContact OD1-NH1 3.16Å; D50-R60 PolarHBondContact OD1-NH1 3.36Å; D50-R60 IonicContact OD1-NH2 3.62Å; D50-R60 PolarHBondContact OD1-NH2 2.88Å
51	K	90	Very high	90.2	Very high	96 Å²	96	75.2 Å²	75.2	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-43.3	173.8	-175.9	-167.6	175.7	-158.5	0	112.9	K47 I49 V53 E54 D140	K47-K51 PolarHBondContact O-N 3.45Å; I49-K51 VanDerWaalsContact C-N 3.33Å; I49-K51 PolarHBondContact O-N 3.18Å; K51-V53 VanDerWaalsContact C-N 3.31Å; K51-E54 PolarHBondContact O-N 3.17Å; K51-D140 IonicContact NZ-OD1 3.85Å; K51-D140 PolarHBondContact NZ-OD1 2.95Å
52	L	89	Confident	90	Very high	8 Å²	8	77.1 Å²	77.1	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-66.5	-35.1	178.4	-80.7	167.9	0	0	0	112.2	Q48 I49 D50 I55 L56 Y63 D140 I141 L144	Q48-L52 HydrophobicContact CG-CD1 4.46Å; Q48-L52 WeakPolarHBondContact O-CB 3.43Å; Q48-L52 WeakPolarHBondContact O-CG 3.34Å; Q48-L52 PolarHBondContact O-N 3.23Å; I49-L52 WeakPolarHBondContact O-CB 3.38Å; I49-L52 PolarHBondContact O-N 2.96Å; I49-L52 VanDerWaalsContact O-N 3.12Å; D50-L52 PolarHBondContact O-N 3.46Å; L52-I55 PolarHBondContact O-N 3.33Å; L52-L56 PolarHBondContact O-N 2.62Å; L52-Y63 HydrophobicContact CB-CD2 3.97Å; L52-Y63 HydrophobicContact CB-CE1 4.45Å; L52-Y63 HydrophobicContact CB-CE2 3.6Å; L52-Y63 HydrophobicContact CD1-CD1 4.04Å; L52-Y63 HydrophobicContact CD1-CE1 4.05Å; L52-Y63 HydrophobicContact CD1-CG 4.35Å; L52-Y63 HydrophobicContact CD2-CE1 4.46Å; L52-D140 HydrophobicContact CD2-CB 3.47Å; L52-D140 VanDerWaalsContact CD2-CB 3.47Å; L52-D140 HydrophobicContact CG-CB 4.23Å; L52-I141 HydrophobicContact CD1-CD1 3.98Å; L52-I141 HydrophobicContact CD2-CD1 3.99Å; L52-L144 HydrophobicContact CD1-CB 4.45Å; L52-L144 HydrophobicContact CD1-CD2 3.86Å
53	V	89.6	Confident	89.8	Confident	14 Å²	14	71.4 Å²	71.4	9%	0.085	35%	0.348	C	S	.	.	H	α-helix	trans	-77	-28.9	179.6	175	0	0	0	0	111.6	I49 D50 K51 I55 L56 P57 R60 Y63	I49-V53 HydrophobicContact CG2-CG2 4.02Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.5Å; I49-V53 PolarHBondContact O-N 2.86Å; D50-V53 PolarHBondContact O-N 3.41Å; K51-V53 VanDerWaalsContact C-N 3.31Å; V53-I55 PolarHBondContact O-N 3.47Å; V53-L56 CarbonylContact O-C 3.39Å; V53-L56 PolarHBondContact O-N 2.76Å; V53-P57 WeakPolarHBondContact CG1-O 3.32Å; V53-P57 WeakPolarHBondContact O-CA 3.47Å; V53-P57 WeakPolarHBondContact O-CD 3.06Å; V53-P57 WeakPolarHBondContact O-CG 3.17Å; V53-R60 HydrophobicContact CG1-CB 4.16Å; V53-R60 VanDerWaalsContact CG2-CA 3.44Å; V53-R60 HydrophobicContact CG2-CB 3.61Å; V53-R60 HydrophobicContact CG2-CG 4.21Å; V53-Y63 HydrophobicContact CG2-CD2 3.9Å; V53-Y63 HydrophobicContact CG2-CE2 4.31Å
54	E	87.9	Confident	89.5	Confident	162 Å²	162	70.1 Å²	70.1	76%	0.757	35%	0.346	S	S	*	.	H	α-helix	trans	-57.7	-32.8	169.4	-74.4	176.2	177.7	0	0	112.1	D50 K51	D50-E54 WeakPolarHBondContact O-CG 3.37Å; D50-E54 PolarHBondContact O-N 3.39Å; K51-E54 PolarHBondContact O-N 3.17Å
55	I	83.8	Confident	89.1	Confident	77 Å²	77	73 Å²	73	40%	0.395	36%	0.357	S	S	.	.	H	α-helix	trans	-83.5	-37.6	178	-57.2	163.9	0	0	0	111.3	L52 V53	L52-I55 PolarHBondContact O-N 3.33Å; V53-I55 PolarHBondContact O-N 3.47Å
56	L	83.2	Confident	88.8	Confident	38 Å²	38	73.7 Å²	73.7	20%	0.199	36%	0.359	C	S	.	.	S	Bend	trans	-132.1	81.4	179	-66.4	174.4	0	0	0	110.6	L52 V53 N58 Q59 R136	L52-L56 PolarHBondContact O-N 2.62Å; V53-L56 CarbonylContact O-C 3.39Å; V53-L56 PolarHBondContact O-N 2.76Å; L56-N58 PolarHBondContact O-N 2.97Å; L56-Q59 HydrophobicContact CB-CB 4.04Å; L56-Q59 HydrophobicContact CB-CG 3.72Å; L56-Q59 HydrophobicContact CD1-CG 4.28Å; L56-Q59 WeakPolarHBondContact O-CB 3.46Å; L56-Q59 PolarHBondContact O-N 3.13Å; L56-R136 HydrophobicContact CD1-CG 4.47Å
57	P	82.1	Confident	88.6	Confident	88 Å²	88	68.8 Å²	68.8	57%	0.571	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-56.3	-30.8	-170	-30.6	37.2	0	0	0	115.2	V53 Q59	V53-P57 WeakPolarHBondContact CG1-O 3.32Å; V53-P57 WeakPolarHBondContact O-CA 3.47Å; V53-P57 WeakPolarHBondContact O-CD 3.06Å; V53-P57 WeakPolarHBondContact O-CG 3.17Å; P57-Q59 VanDerWaalsContact C-N 3.29Å; P57-Q59 PolarHBondContact O-N 3.45Å
58	N	84.2	Confident	88.2	Confident	153 Å²	153	67.8 Å²	67.8	82%	0.818	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-87.1	7.8	-175.8	-58.7	-23.2	0	0	0	113.5	L56	L56-N58 PolarHBondContact O-N 2.97Å
59	Q	87.9	Confident	87.8	Confident	65 Å²	65	68.3 Å²	68.3	30%	0.304	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-109.3	5.9	-173.3	-65	-66.1	-49.3	0	0	113.8	L56 P57 E61 V62 Y63	L56-Q59 HydrophobicContact CB-CB 4.04Å; L56-Q59 HydrophobicContact CB-CG 3.72Å; L56-Q59 HydrophobicContact CD1-CG 4.28Å; L56-Q59 WeakPolarHBondContact O-CB 3.46Å; L56-Q59 PolarHBondContact O-N 3.13Å; P57-Q59 VanDerWaalsContact C-N 3.29Å; P57-Q59 PolarHBondContact O-N 3.45Å; Q59-E61 VanDerWaalsContact C-N 3.3Å; Q59-E61 PolarHBondContact O-N 2.92Å; Q59-V62 PolarHBondContact O-N 3.15Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; Q59-Y63 HydrophobicContact CB-CD2 3.99Å; Q59-Y63 HydrophobicContact CB-CE2 3.52Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.1Å; Q59-Y63 PolarHBondContact O-N 3.48Å
60	R	90.2	Very high	87.4	Confident	107 Å²	107	68.7 Å²	68.7	40%	0.404	35%	0.346	S	S	.	.	H	α-helix	trans	-54.5	-46.2	-178.8	-179.8	175.5	-71.5	-82.5	0.7	112.7	I49 D50 V53 V62 Y63 T64	I49-R60 HydrophobicContact CG2-CG 4.39Å; D50-R60 IonicContact OD1-CZ 2.79Å; D50-R60 IonicContact OD1-NH1 3.16Å; D50-R60 PolarHBondContact OD1-NH1 3.36Å; D50-R60 IonicContact OD1-NH2 3.62Å; D50-R60 PolarHBondContact OD1-NH2 2.88Å; V53-R60 HydrophobicContact CG1-CB 4.16Å; V53-R60 VanDerWaalsContact CG2-CA 3.44Å; V53-R60 HydrophobicContact CG2-CB 3.61Å; V53-R60 HydrophobicContact CG2-CG 4.21Å; R60-V62 VanDerWaalsContact C-N 3.35Å; R60-Y63 PolarHBondContact O-N 3.15Å; R60-T64 WeakPolarHBondContact O-CB 3.34Å; R60-T64 PolarHBondContact O-N 2.77Å; R60-T64 PolarHBondContact O-OG1 3.04Å
61	E	88.2	Confident	86.9	Confident	163 Å²	163	68.1 Å²	68.1	76%	0.762	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-43	179.6	-68.3	-178.9	175.5	0	0	110.9	Q59 Y63 T64 E65	Q59-E61 VanDerWaalsContact C-N 3.3Å; Q59-E61 PolarHBondContact O-N 2.92Å; E61-Y63 PolarHBondContact O-N 2.86Å; E61-T64 PolarHBondContact O-N 3.17Å; E61-E65 WeakPolarHBondContact O-CB 3.3Å; E61-E65 PolarHBondContact O-N 3.39Å
62	V	89.1	Confident	86.3	Confident	53 Å²	53	66.6 Å²	66.6	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-45.5	178.1	-177.7	0	0	0	0	111.6	Q59 R60 T64 E65 Y66 P133	Q59-V62 PolarHBondContact O-N 3.15Å; Q59-V62 VanDerWaalsContact O-N 3.13Å; R60-V62 VanDerWaalsContact C-N 3.35Å; V62-T64 VanDerWaalsContact C-N 3.35Å; V62-T64 PolarHBondContact O-N 3.08Å; V62-E65 PolarHBondContact O-N 3.2Å; V62-Y66 WeakPolarHBondContact O-CB 3.27Å; V62-Y66 PolarHBondContact O-N 3.5Å; V62-P133 HydrophobicContact CG1-CB 3.88Å; V62-P133 HydrophobicContact CG1-CG 4.04Å
63	Y	88.5	Confident	85.5	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-38.6	175.7	-65.6	-53.4	0	0	0	112.7	L52 V53 Q59 R60 E61 Y66 V67 P133 I141 L144	L52-Y63 HydrophobicContact CB-CD2 3.97Å; L52-Y63 HydrophobicContact CB-CE1 4.45Å; L52-Y63 HydrophobicContact CB-CE2 3.6Å; L52-Y63 HydrophobicContact CD1-CD1 4.04Å; L52-Y63 HydrophobicContact CD1-CE1 4.05Å; L52-Y63 HydrophobicContact CD1-CG 4.35Å; L52-Y63 HydrophobicContact CD2-CE1 4.46Å; V53-Y63 HydrophobicContact CG2-CD2 3.9Å; V53-Y63 HydrophobicContact CG2-CE2 4.31Å; Q59-Y63 HydrophobicContact CB-CD2 3.99Å; Q59-Y63 HydrophobicContact CB-CE2 3.52Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.1Å; Q59-Y63 PolarHBondContact O-N 3.48Å; R60-Y63 PolarHBondContact O-N 3.15Å; E61-Y63 PolarHBondContact O-N 2.86Å; Y63-Y66 PolarHBondContact O-N 2.73Å; Y63-V67 WeakPolarHBondContact O-CG2 3.37Å; Y63-V67 PolarHBondContact O-N 3.41Å; Y63-P133 HydrophobicContact CD1-CB 3.9Å; Y63-P133 HydrophobicContact CD1-CG 3.67Å; Y63-P133 HydrophobicContact CE1-CB 3.59Å; Y63-P133 HydrophobicContact CE1-CG 3.88Å; Y63-I141 HydrophobicContact CD1-CD1 4.04Å; Y63-I141 HydrophobicContact CE1-CD1 3.38Å; Y63-L144 HydrophobicContact CD1-CD2 4.31Å
64	T	89.3	Confident	84.5	Confident	54 Å²	54	69.4 Å²	69.4	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-44.1	178.3	-56.9	0	0	0	0	110.8	R60 E61 V62 V67 N68	R60-T64 WeakPolarHBondContact O-CB 3.34Å; R60-T64 PolarHBondContact O-N 2.77Å; R60-T64 PolarHBondContact O-OG1 3.04Å; E61-T64 PolarHBondContact O-N 3.17Å; V62-T64 VanDerWaalsContact C-N 3.35Å; V62-T64 PolarHBondContact O-N 3.08Å; T64-V67 PolarHBondContact O-N 3.44Å; T64-N68 WeakPolarHBondContact O-CB 3.42Å; T64-N68 PolarHBondContact O-N 3.31Å; T64-N68 PolarHBondContact O-ND2 3.45Å
65	E	87.8	Confident	83.6	Confident	139 Å²	139	64.7 Å²	64.7	65%	0.65	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-41.5	175.8	-172.8	176.9	-175.4	0	0	111.5	E61 V62 N68 C69	E61-E65 WeakPolarHBondContact O-CB 3.3Å; E61-E65 PolarHBondContact O-N 3.39Å; V62-E65 PolarHBondContact O-N 3.2Å; E65-N68 PolarHBondContact O-N 2.88Å; E65-C69 WeakPolarHBondContact O-CB 3.46Å; E65-C69 PolarHBondContact O-N 3.28Å
66	Y	89.1	Confident	82.7	Confident	23 Å²	23	62 Å²	62	9%	0.09	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-47.8	174.2	177.9	-114.2	0	0	0	112.2	V62 Y63 N68 C69 L70 C130 T131 P133 I141 L144 T145	V62-Y66 WeakPolarHBondContact O-CB 3.27Å; V62-Y66 PolarHBondContact O-N 3.5Å; Y63-Y66 PolarHBondContact O-N 2.73Å; Y66-N68 PolarHBondContact O-N 3.35Å; Y66-C69 WeakPolarHBondContact O-CB 3.44Å; Y66-C69 PolarHBondContact O-N 2.98Å; Y66-L70 HydrophobicContact CD1-CD1 4.09Å; Y66-L70 HydrophobicContact CE1-CD1 3.55Å; Y66-L70 HydrophobicContact CE1-CG 4.32Å; Y66-L70 HydrophobicContact CE2-CD1 4.31Å; Y66-L70 HydrophobicContact CE2-CD2 4.37Å; Y66-L70 HydrophobicContact CE2-CG 4.25Å; Y66-L70 WeakPolarHBondContact O-CG 3.5Å; Y66-L70 PolarHBondContact O-N 3.4Å; Y66-C130 HydrophobicContact CD2-CB 3.99Å; Y66-C130 HydrophobicContact CE2-CB 3.89Å; Y66-T131 VanDerWaalsContact CD2-O 3.28Å; Y66-T131 WeakPolarHBondContact CD2-O 3.14Å; Y66-P133 HydrophobicContact CD1-CG 4.22Å; Y66-P133 HydrophobicContact CG-CG 3.96Å; Y66-I141 HydrophobicContact CE1-CG2 4.33Å; Y66-L144 HydrophobicContact CD1-CD2 4.26Å; Y66-T145 WeakPolarHBondContact CE1-OG1 3.02Å; Y66-T145 PolarHBondContact OH-OG1 3.22Å
67	V	88.7	Confident	81.8	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-62	-43.3	175.6	169.9	0	0	0	0	111.4	I45 I49 Y63 T64 C69 L70 D71 L144	I45-V67 HydrophobicContact CG2-CG1 3.98Å; I45-V67 HydrophobicContact CG2-CG2 4.04Å; I49-V67 HydrophobicContact CD1-CG2 4.2Å; Y63-V67 WeakPolarHBondContact O-CG2 3.37Å; Y63-V67 PolarHBondContact O-N 3.41Å; T64-V67 PolarHBondContact O-N 3.44Å; V67-C69 VanDerWaalsContact C-N 3.28Å; V67-C69 PolarHBondContact O-N 2.84Å; V67-L70 PolarHBondContact O-N 3.36Å; V67-D71 WeakPolarHBondContact O-CB 3.48Å; V67-D71 PolarHBondContact O-N 3.43Å; V67-L144 HydrophobicContact CG2-CD1 3.77Å; V67-L144 HydrophobicContact CG2-CD2 3.99Å; V67-L144 HydrophobicContact CG2-CG 3.89Å
68	N	87	Confident	80.8	Confident	94 Å²	94	62.2 Å²	62.2	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-38	177.1	-71.6	-21.8	0	0	0	111.7	T64 E65 Y66 F72	T64-N68 WeakPolarHBondContact O-CB 3.42Å; T64-N68 PolarHBondContact O-N 3.31Å; T64-N68 PolarHBondContact O-ND2 3.45Å; E65-N68 PolarHBondContact O-N 2.88Å; Y66-N68 PolarHBondContact O-N 3.35Å; N68-F72 VanDerWaalsContact O-CB 3.3Å; N68-F72 WeakPolarHBondContact O-CB 3.3Å; N68-F72 PolarHBondContact O-N 2.86Å
69	C	84.2	Confident	79.7	Confident	31 Å²	31	56.9 Å²	56.9	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-46.1	174	-179.8	0	0	0	0	111.5	E65 Y66 V67 D71 F72 L73 C130	E65-C69 WeakPolarHBondContact O-CB 3.46Å; E65-C69 PolarHBondContact O-N 3.28Å; Y66-C69 WeakPolarHBondContact O-CB 3.44Å; Y66-C69 PolarHBondContact O-N 2.98Å; V67-C69 VanDerWaalsContact C-N 3.28Å; V67-C69 PolarHBondContact O-N 2.84Å; C69-D71 VanDerWaalsContact C-N 3.34Å; C69-D71 PolarHBondContact O-N 3.05Å; C69-F72 WeakPolarHBondContact O-CB 3.45Å; C69-F72 PolarHBondContact O-N 3.3Å; C69-L73 PolarHBondContact O-N 3.29Å; C69-C130 HydrophobicContact CB-CB 3.87Å; C69-C130 WeakPolarHBondContact CB-SG 3.47Å; C69-C130 PolarHBondContact O-SG 2.94Å; C69-C130 WeakPolarHBondContact SG-CA 3.4Å; C69-C130 WeakPolarHBondContact SG-CB 2.98Å; C69-C130 CovalentContact SG-SG 2.04Å; C69-C130 PolarHBondContact SG-SG 3.18Å
70	L	83.5	Confident	78.4	Confident	21 Å²	21	56.1 Å²	56.1	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-42.6	176.7	-70.8	177.8	0	0	0	111.9	Y66 V67 F72 L73 T74 C130 T145 A148	Y66-L70 HydrophobicContact CD1-CD1 4.09Å; Y66-L70 HydrophobicContact CE1-CD1 3.55Å; Y66-L70 HydrophobicContact CE1-CG 4.32Å; Y66-L70 HydrophobicContact CE2-CD1 4.31Å; Y66-L70 HydrophobicContact CE2-CD2 4.37Å; Y66-L70 HydrophobicContact CE2-CG 4.25Å; Y66-L70 WeakPolarHBondContact O-CG 3.5Å; Y66-L70 PolarHBondContact O-N 3.4Å; V67-L70 PolarHBondContact O-N 3.36Å; L70-F72 VanDerWaalsContact C-N 3.29Å; L70-F72 PolarHBondContact O-N 3.01Å; L70-L73 PolarHBondContact O-N 3.41Å; L70-T74 WeakPolarHBondContact O-CB 3.47Å; L70-T74 PolarHBondContact O-N 2.91Å; L70-T74 PolarHBondContact O-OG1 2.82Å; L70-C130 HydrophobicContact CD2-CB 4.33Å; L70-C130 PolarHBondContact N-SG 2.93Å; L70-T145 HydrophobicContact CD1-CG2 4.08Å; L70-A148 HydrophobicContact CB-CB 4.17Å; L70-A148 HydrophobicContact CD1-CB 3.78Å
71	D	82.3	Confident	76.8	Confident	34 Å²	34	54.4 Å²	54.4	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-45.9	174.4	-77.9	-9.3	0	0	0	110.7	V67 C69 K75 K151 I152	V67-D71 WeakPolarHBondContact O-CB 3.48Å; V67-D71 PolarHBondContact O-N 3.43Å; C69-D71 VanDerWaalsContact C-N 3.34Å; C69-D71 PolarHBondContact O-N 3.05Å; D71-K75 WeakPolarHBondContact O-CB 3.43Å; D71-K75 PolarHBondContact O-N 3.45Å; D71-K151 WeakPolarHBondContact OD1-CE 3.4Å; D71-K151 IonicContact OD1-NZ 2.71Å; D71-K151 PolarHBondContact OD1-NZ 3.07Å; D71-K151 IonicContact OD2-NZ 2.69Å; D71-K151 PolarHBondContact OD2-NZ 3.22Å; D71-I152 HydrophobicContact CB-CD1 4.29Å
72	F	76.2	Confident	75.3	Confident	65 Å²	65	48.2 Å²	48.2	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-52.4	178.8	177.8	-99.8	0	0	0	112.1	N68 C69 L70 T74 K75 L76 L121 N125 K128	N68-F72 VanDerWaalsContact O-CB 3.3Å; N68-F72 WeakPolarHBondContact O-CB 3.3Å; N68-F72 PolarHBondContact O-N 2.86Å; C69-F72 WeakPolarHBondContact O-CB 3.45Å; C69-F72 PolarHBondContact O-N 3.3Å; L70-F72 VanDerWaalsContact C-N 3.29Å; L70-F72 PolarHBondContact O-N 3.01Å; F72-T74 PolarHBondContact O-N 3.17Å; F72-K75 PolarHBondContact O-N 3.46Å; F72-L76 HydrophobicContact CD1-CD1 3.86Å; F72-L76 HydrophobicContact CE1-CD1 3.45Å; F72-L76 VanDerWaalsContact CE1-CD1 3.45Å; F72-L76 HydrophobicContact CE1-CG 4.47Å; F72-L76 HydrophobicContact CE2-CD1 4.39Å; F72-L76 HydrophobicContact CG-CD1 4.49Å; F72-L76 HydrophobicContact CZ-CD1 3.75Å; F72-L76 HydrophobicContact CZ-CG 4.45Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 2.92Å; F72-L121 HydrophobicContact CZ-CD2 4.41Å; F72-N125 VanDerWaalsContact CE1-ND2 3.34Å; F72-N125 WeakPolarHBondContact CE1-ND2 3.35Å; F72-N125 WeakPolarHBondContact CE1-OD1 3.2Å; F72-N125 VanDerWaalsContact CZ-ND2 3.27Å; F72-N125 WeakPolarHBondContact CZ-ND2 3.33Å; F72-K128 HydrophobicContact CE1-CD 3.99Å
73	L	73.4	Confident	74	Confident	43 Å²	43	46.1 Å²	46.1	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-45	178.9	-69.9	-172.4	0	0	0	112	C69 L70 L76 T77 K128 C130	C69-L73 PolarHBondContact O-N 3.29Å; L70-L73 PolarHBondContact O-N 3.41Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.66Å; L73-T77 PolarHBondContact O-N 2.87Å; L73-T77 VanDerWaalsContact O-N 3.13Å; L73-T77 PolarHBondContact O-OG1 3.35Å; L73-K128 HydrophobicContact CD2-CB 4.1Å; L73-K128 WeakPolarHBondContact CD2-O 3.11Å; L73-C130 WeakPolarHBondContact CD1-SG 3.4Å
74	T	68.5	Low	72.7	Confident	37 Å²	37	52.9 Å²	52.9	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-36.1	-177.4	-42.8	0	0	0	0	111.5	L70 F72 L76 T77 F78 I152	L70-T74 WeakPolarHBondContact O-CB 3.47Å; L70-T74 PolarHBondContact O-N 2.91Å; L70-T74 PolarHBondContact O-OG1 2.82Å; F72-T74 PolarHBondContact O-N 3.17Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 3Å; T74-T77 PolarHBondContact O-N 2.98Å; T74-F78 PolarHBondContact O-N 3.1Å; T74-I152 HydrophobicContact CG2-CB 3.68Å; T74-I152 HydrophobicContact CG2-CG1 4.17Å; T74-I152 HydrophobicContact CG2-CG2 3.25Å
75	K	68.2	Low	71.2	Confident	63 Å²	63	52 Å²	52	27%	0.274	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-38.3	172.5	-178.9	-178.9	179.3	-174.5	0	111.4	D71 F72 F78 T79	D71-K75 WeakPolarHBondContact O-CB 3.43Å; D71-K75 PolarHBondContact O-N 3.45Å; F72-K75 PolarHBondContact O-N 3.46Å; K75-F78 PolarHBondContact O-N 3.36Å; K75-T79 WeakPolarHBondContact O-CB 3.3Å; K75-T79 PolarHBondContact O-N 3.21Å; K75-T79 PolarHBondContact O-OG1 3.35Å
76	L	65.8	Low	69.8	Low	20 Å²	20	46 Å²	46	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-47.4	175.4	-70.3	164.7	0	0	0	111.8	F72 L73 T74 F78 T79 S80 L121 N125	F72-L76 HydrophobicContact CD1-CD1 3.86Å; F72-L76 HydrophobicContact CE1-CD1 3.45Å; F72-L76 VanDerWaalsContact CE1-CD1 3.45Å; F72-L76 HydrophobicContact CE1-CG 4.47Å; F72-L76 HydrophobicContact CE2-CD1 4.39Å; F72-L76 HydrophobicContact CG-CD1 4.49Å; F72-L76 HydrophobicContact CZ-CD1 3.75Å; F72-L76 HydrophobicContact CZ-CG 4.45Å; F72-L76 WeakPolarHBondContact O-CG 3.48Å; F72-L76 PolarHBondContact O-N 2.92Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.66Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 3Å; L76-F78 VanDerWaalsContact C-N 3.31Å; L76-F78 PolarHBondContact O-N 3.11Å; L76-T79 PolarHBondContact O-N 3.19Å; L76-S80 WeakPolarHBondContact O-CB 3.42Å; L76-S80 PolarHBondContact O-N 2.88Å; L76-L121 HydrophobicContact CD2-CB 3.67Å; L76-N125 HydrophobicContact CD1-CB 3.81Å; L76-N125 WeakPolarHBondContact CD1-ND2 3.03Å
77	T	63.3	Low	68.5	Low	83 Å²	83	47.3 Å²	47.3	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-57.2	-45.9	175.6	-57	0	0	0	0	111.2	L73 T74 S80 N81	L73-T77 PolarHBondContact O-N 2.87Å; L73-T77 VanDerWaalsContact O-N 3.13Å; L73-T77 PolarHBondContact O-OG1 3.35Å; T74-T77 PolarHBondContact O-N 2.98Å; T77-S80 PolarHBondContact O-N 3.47Å; T77-N81 PolarHBondContact O-N 2.9Å; T77-N81 PolarHBondContact O-ND2 3.47Å
78	F	62	Low	67.2	Low	49 Å²	49	52.5 Å²	52.5	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-47	176.2	-175.2	-100.1	0	0	0	111.6	T74 K75 L76 S80 N81 V82 N159	T74-F78 PolarHBondContact O-N 3.1Å; K75-F78 PolarHBondContact O-N 3.36Å; L76-F78 VanDerWaalsContact C-N 3.31Å; L76-F78 PolarHBondContact O-N 3.11Å; F78-S80 VanDerWaalsContact C-N 3.33Å; F78-S80 PolarHBondContact O-N 3.4Å; F78-N81 PolarHBondContact O-N 3.06Å; F78-N81 VanDerWaalsContact O-N 3.17Å; F78-V82 HydrophobicContact CD1-CG2 3.87Å; F78-V82 HydrophobicContact CE1-CG2 3.41Å; F78-V82 VanDerWaalsContact CE1-CG2 3.41Å; F78-V82 HydrophobicContact CE2-CG2 4.13Å; F78-V82 HydrophobicContact CG-CG2 4.41Å; F78-V82 HydrophobicContact CZ-CG2 3.55Å; F78-V82 WeakPolarHBondContact O-CG2 3.42Å; F78-V82 PolarHBondContact O-N 2.73Å; F78-N159 HydrophobicContact CE1-CB 3.87Å; F78-N159 HydrophobicContact CZ-CB 3.92Å
79	T	60.7	Low	65.8	Low	41 Å²	41	51.1 Å²	51.1	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-65	-38.6	-178.5	-47	0	0	0	0	111.4	K75 L76 V82 V83 T118	K75-T79 WeakPolarHBondContact O-CB 3.3Å; K75-T79 PolarHBondContact O-N 3.21Å; K75-T79 PolarHBondContact O-OG1 3.35Å; L76-T79 PolarHBondContact O-N 3.19Å; T79-V82 PolarHBondContact O-N 3.24Å; T79-V83 HydrophobicContact CG2-CG2 4.5Å; T79-V83 VanDerWaalsContact O-CB 3.29Å; T79-V83 WeakPolarHBondContact O-CB 3.33Å; T79-V83 WeakPolarHBondContact O-CG2 3.43Å; T79-V83 PolarHBondContact O-N 3.17Å; T79-T118 HydrophobicContact CG2-CG2 3.32Å; T79-T118 WeakPolarHBondContact CG2-OG1 3.34Å
80	S	60.2	Low	64.5	Low	49 Å²	49	50.7 Å²	50.7	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-44	173	-177.7	0	0	0	0	111.9	L76 T77 F78 V83 R84	L76-S80 WeakPolarHBondContact O-CB 3.42Å; L76-S80 PolarHBondContact O-N 2.88Å; T77-S80 PolarHBondContact O-N 3.47Å; F78-S80 VanDerWaalsContact C-N 3.33Å; F78-S80 PolarHBondContact O-N 3.4Å; S80-V83 PolarHBondContact O-N 2.85Å; S80-R84 WeakPolarHBondContact O-CB 3.1Å; S80-R84 PolarHBondContact O-N 3.07Å
81	N	57.3	Low	63.6	Low	71 Å²	71	55.1 Å²	55.1	38%	0.38	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-45	176.2	-77.7	-33.1	0	0	0	112.9	T77 F78 R84 G85	T77-N81 PolarHBondContact O-N 2.9Å; T77-N81 PolarHBondContact O-ND2 3.47Å; F78-N81 PolarHBondContact O-N 3.06Å; F78-N81 VanDerWaalsContact O-N 3.17Å; N81-R84 PolarHBondContact O-N 3.29Å; N81-R84 PolarHBondContact OD1-NH2 2.93Å; N81-G85 PolarHBondContact O-N 3.42Å
82	V	56.5	Low	62.2	Low	32 Å²	32	57.4 Å²	57.4	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-48.1	175.8	169.4	0	0	0	0	110	F78 T79 R84 G85 L86 F111	F78-V82 HydrophobicContact CD1-CG2 3.87Å; F78-V82 HydrophobicContact CE1-CG2 3.41Å; F78-V82 VanDerWaalsContact CE1-CG2 3.41Å; F78-V82 HydrophobicContact CE2-CG2 4.13Å; F78-V82 HydrophobicContact CG-CG2 4.41Å; F78-V82 HydrophobicContact CZ-CG2 3.55Å; F78-V82 WeakPolarHBondContact O-CG2 3.42Å; F78-V82 PolarHBondContact O-N 2.73Å; T79-V82 PolarHBondContact O-N 3.24Å; V82-R84 VanDerWaalsContact C-N 3.34Å; V82-R84 PolarHBondContact O-N 3.35Å; V82-G85 PolarHBondContact O-N 2.88Å; V82-L86 HydrophobicContact CG1-CD1 3.48Å; V82-L86 VanDerWaalsContact CG1-CD1 3.48Å; V82-L86 HydrophobicContact CG1-CG 4.25Å; V82-L86 WeakPolarHBondContact O-CB 3.48Å; V82-L86 WeakPolarHBondContact O-CD1 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.43Å; V82-F111 HydrophobicContact CG1-CD1 3.87Å; V82-F111 HydrophobicContact CG1-CE1 3.9Å
83	V	61.6	Low	60.9	Low	10 Å²	10	56.1 Å²	56.1	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-49.2	176.5	161.1	0	0	0	0	111.3	T79 S80 L86 D87 K115	T79-V83 HydrophobicContact CG2-CG2 4.5Å; T79-V83 VanDerWaalsContact O-CB 3.29Å; T79-V83 WeakPolarHBondContact O-CB 3.33Å; T79-V83 WeakPolarHBondContact O-CG2 3.43Å; T79-V83 PolarHBondContact O-N 3.17Å; S80-V83 PolarHBondContact O-N 2.85Å; V83-L86 PolarHBondContact O-N 3.36Å; V83-D87 PolarHBondContact O-N 2.88Å; V83-K115 HydrophobicContact CG1-CB 3.87Å; V83-K115 HydrophobicContact CG1-CD 3.53Å; V83-K115 HydrophobicContact CG1-CG 3.43Å; V83-K115 VanDerWaalsContact CG1-CG 3.43Å; V83-K115 HydrophobicContact CG2-CB 3.95Å; V83-K115 HydrophobicContact CG2-CG 4.36Å
84	R	61.2	Low	60.1	Low	145 Å²	145	57.9 Å²	57.9	55%	0.547	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-45.7	179.7	-179.6	176.6	60.4	174.9	-4.5	112.2	S80 N81 V82 L86 D87 Q88	S80-R84 WeakPolarHBondContact O-CB 3.1Å; S80-R84 PolarHBondContact O-N 3.07Å; N81-R84 PolarHBondContact O-N 3.29Å; N81-R84 PolarHBondContact OD1-NH2 2.93Å; V82-R84 VanDerWaalsContact C-N 3.34Å; V82-R84 PolarHBondContact O-N 3.35Å; R84-L86 PolarHBondContact O-N 3.05Å; R84-D87 PolarHBondContact O-N 3.4Å; R84-Q88 WeakPolarHBondContact O-CG 3.45Å; R84-Q88 PolarHBondContact O-N 3.34Å
85	G	57.5	Low	59.9	Low	34 Å²	34	61.8 Å²	61.8	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-33.8	177.2	0	0	0	0	0	112	N81 V82 L89	N81-G85 PolarHBondContact O-N 3.42Å; V82-G85 PolarHBondContact O-N 2.88Å; G85-L89 WeakPolarHBondContact O-CB 3.47Å; G85-L89 PolarHBondContact O-N 3.19Å
86	L	58.3	Low	58.9	Low	14 Å²	14	65.7 Å²	65.7	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-77.5	-34.9	177.1	-66.1	169.6	0	0	0	113	V82 V83 R84 Q88 L89 V90 F107 F111 F163	V82-L86 HydrophobicContact CG1-CD1 3.48Å; V82-L86 VanDerWaalsContact CG1-CD1 3.48Å; V82-L86 HydrophobicContact CG1-CG 4.25Å; V82-L86 WeakPolarHBondContact O-CB 3.48Å; V82-L86 WeakPolarHBondContact O-CD1 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.43Å; V83-L86 PolarHBondContact O-N 3.36Å; R84-L86 PolarHBondContact O-N 3.05Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; L86-L89 HydrophobicContact CD2-CD2 4.36Å; L86-L89 PolarHBondContact O-N 3.1Å; L86-V90 WeakPolarHBondContact O-CG2 3.38Å; L86-V90 PolarHBondContact O-N 3.32Å; L86-F107 HydrophobicContact CB-CZ 4.02Å; L86-F107 HydrophobicContact CD2-CD2 4.46Å; L86-F107 HydrophobicContact CD2-CE2 3.42Å; L86-F107 VanDerWaalsContact CD2-CE2 3.42Å; L86-F107 HydrophobicContact CD2-CZ 3.7Å; L86-F107 HydrophobicContact CG-CE2 4.5Å; L86-F107 HydrophobicContact CG-CZ 4.39Å; L86-F111 HydrophobicContact CD1-CB 3.31Å; L86-F111 HydrophobicContact CD1-CD1 3.14Å; L86-F111 HydrophobicContact CD1-CD2 3.85Å; L86-F111 HydrophobicContact CD1-CE1 3.82Å; L86-F111 HydrophobicContact CD1-CE2 4.45Å; L86-F111 HydrophobicContact CD1-CG 3.15Å; L86-F111 HydrophobicContact CD1-CZ 4.42Å; L86-F163 HydrophobicContact CD2-CE2 4.28Å; L86-F163 HydrophobicContact CD2-CZ 3.87Å
87	D	62.9	Low	57.8	Low	50 Å²	50	70.5 Å²	70.5	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-58.5	-47.2	169.7	-70.9	-38.2	0	0	0	110.2	V83 R84 L89 V90 E91 K115	V83-D87 PolarHBondContact O-N 2.88Å; R84-D87 PolarHBondContact O-N 3.4Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 2.87Å; D87-V90 PolarHBondContact O-N 3.3Å; D87-E91 VanDerWaalsContact O-CB 3.3Å; D87-E91 WeakPolarHBondContact O-CB 3.38Å; D87-E91 PolarHBondContact O-N 3.33Å; D87-K115 IonicContact OD1-NZ 2.76Å; D87-K115 PolarHBondContact OD1-NZ 3.38Å; D87-K115 VanDerWaalsContact OD2-CE 3.3Å; D87-K115 WeakPolarHBondContact OD2-CE 3.3Å; D87-K115 IonicContact OD2-NZ 2.62Å; D87-K115 PolarHBondContact OD2-NZ 2.91Å
88	Q	61.5	Low	57.2	Low	117 Å²	117	71.9 Å²	71.9	55%	0.547	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-39	176.4	-70.8	175.1	-18.5	0	0	111.6	R84 L86 L92	R84-Q88 WeakPolarHBondContact O-CG 3.45Å; R84-Q88 PolarHBondContact O-N 3.34Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; Q88-L92 WeakPolarHBondContact O-CB 3.32Å; Q88-L92 PolarHBondContact O-N 3.25Å
89	L	56.4	Low	56.5	Low	64 Å²	64	70 Å²	70	34%	0.335	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-44.1	175.1	-176.6	63.6	0	0	0	111.9	G85 L86 D87 L92 L93 F107	G85-L89 WeakPolarHBondContact O-CB 3.47Å; G85-L89 PolarHBondContact O-N 3.19Å; L86-L89 HydrophobicContact CD2-CD2 4.36Å; L86-L89 PolarHBondContact O-N 3.1Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 2.87Å; L89-L92 PolarHBondContact O-N 3.13Å; L89-L93 HydrophobicContact CD1-CD1 4.44Å; L89-L93 HydrophobicContact CD1-CG 4.45Å; L89-L93 HydrophobicContact CG-CD1 4.15Å; L89-L93 WeakPolarHBondContact O-CB 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 2.95Å; L89-F107 HydrophobicContact CD2-CE2 3.97Å; L89-F107 HydrophobicContact CD2-CZ 4.37Å
90	V	57.8	Low	56.3	Low	22 Å²	22	77.2 Å²	77.2	13%	0.133	39%	0.39	C	S	.	.	H	α-helix	trans	-62	-49.2	176.4	171.9	0	0	0	0	110.5	L86 D87 L92 L93 E94 V101 F107	L86-V90 WeakPolarHBondContact O-CG2 3.38Å; L86-V90 PolarHBondContact O-N 3.32Å; D87-V90 PolarHBondContact O-N 3.3Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.33Å; V90-L93 WeakPolarHBondContact O-CB 3.39Å; V90-L93 PolarHBondContact O-N 2.99Å; V90-L93 VanDerWaalsContact O-N 3.11Å; V90-E94 HydrophobicContact CG1-CG 4.32Å; V90-E94 WeakPolarHBondContact O-CB 3.43Å; V90-E94 PolarHBondContact O-N 3.5Å; V90-V101 HydrophobicContact CG1-CB 4.49Å; V90-V101 HydrophobicContact CG1-CG2 4.15Å; V90-V101 HydrophobicContact CG2-CG2 4.38Å; V90-F107 HydrophobicContact CG2-CD1 4.32Å; V90-F107 HydrophobicContact CG2-CE1 3.23Å; V90-F107 HydrophobicContact CG2-CZ 3.65Å
91	E	64.1	Low	55.8	Low	115 Å²	115	76.1 Å²	76.1	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-59.7	-43.7	179.1	-176	178.5	-176.2	0	0	110.8	D87 L93 E94 N95	D87-E91 VanDerWaalsContact O-CB 3.3Å; D87-E91 WeakPolarHBondContact O-CB 3.38Å; D87-E91 PolarHBondContact O-N 3.33Å; E91-L93 PolarHBondContact O-N 3.4Å; E91-E94 PolarHBondContact O-N 2.92Å; E91-N95 VanDerWaalsContact CG-ND2 3.26Å; E91-N95 WeakPolarHBondContact CG-ND2 3.43Å; E91-N95 WeakPolarHBondContact O-CB 3.39Å; E91-N95 PolarHBondContact O-N 2.89Å; E91-N95 PolarHBondContact O-ND2 2.85Å
92	L	53.6	Low	55.8	Low	82 Å²	82	75.8 Å²	75.8	43%	0.429	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-40.9	174.8	-175.5	138.8	0	0	0	111.7	Q88 L89 V90 K96 Y97	Q88-L92 WeakPolarHBondContact O-CB 3.32Å; Q88-L92 PolarHBondContact O-N 3.25Å; L89-L92 PolarHBondContact O-N 3.13Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.33Å; L92-K96 WeakPolarHBondContact O-CB 3.37Å; L92-K96 PolarHBondContact O-N 3.1Å; L92-Y97 HydrophobicContact CD2-CE2 3.88Å
93	L	48.2	Very low	55.7	Low	38 Å²	38	81.1 Å²	81.1	20%	0.199	41%	0.405	C	S	.	.	H	α-helix	trans	-65.9	-43.1	176.1	-72.5	172	0	0	0	112.4	L89 V90 E91 Y97 V99 V101	L89-L93 HydrophobicContact CD1-CD1 4.44Å; L89-L93 HydrophobicContact CD1-CG 4.45Å; L89-L93 HydrophobicContact CG-CD1 4.15Å; L89-L93 WeakPolarHBondContact O-CB 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 2.95Å; V90-L93 WeakPolarHBondContact O-CB 3.39Å; V90-L93 PolarHBondContact O-N 2.99Å; V90-L93 VanDerWaalsContact O-N 3.11Å; E91-L93 PolarHBondContact O-N 3.4Å; L93-Y97 HydrophobicContact CD2-CD2 4.15Å; L93-Y97 WeakPolarHBondContact O-CB 3.18Å; L93-Y97 PolarHBondContact O-N 2.89Å; L93-V99 WeakPolarHBondContact O-CB 3.29Å; L93-V99 PolarHBondContact O-N 3.05Å; L93-V101 HydrophobicContact CD1-CG2 4.46Å
94	E	57.5	Low	55.1	Low	80 Å²	80	85.2 Å²	85.2	37%	0.374	43%	0.434	S	S	.	.	H	α-helix	trans	-70.3	-46.4	-179.3	-78.9	-178.9	170.5	0	0	111.7	V90 E91 S98 V99 V101	V90-E94 HydrophobicContact CG1-CG 4.32Å; V90-E94 WeakPolarHBondContact O-CB 3.43Å; V90-E94 PolarHBondContact O-N 3.5Å; E91-E94 PolarHBondContact O-N 2.92Å; E94-S98 VanDerWaalsContact O-CA 3.22Å; E94-S98 WeakPolarHBondContact O-CA 3.21Å; E94-S98 PolarHBondContact O-N 3.15Å; E94-V99 WeakPolarHBondContact CA-O 3.49Å; E94-V99 WeakPolarHBondContact CG-O 3.36Å; E94-V101 PolarHBondContact OE1-N 3.4Å
95	N	63.6	Low	54.5	Low	118 Å²	118	80 Å²	80	63%	0.631	42%	0.419	S	S	*	.	H	α-helix	trans	-80	-44.9	-175.8	-68.4	-20	0	0	0	113	E91	E91-N95 VanDerWaalsContact CG-ND2 3.26Å; E91-N95 WeakPolarHBondContact CG-ND2 3.43Å; E91-N95 WeakPolarHBondContact O-CB 3.39Å; E91-N95 PolarHBondContact O-N 2.89Å; E91-N95 PolarHBondContact O-ND2 2.85Å
96	K	47.8	Very low	54.1	Low	145 Å²	145	81.7 Å²	81.7	63%	0.63	42%	0.423	S	S	*	.	H	α-helix	trans	-82.3	-33.4	-173.3	-168.7	174.1	179.9	176.8	0	112.9	L92	L92-K96 WeakPolarHBondContact O-CB 3.37Å; L92-K96 PolarHBondContact O-N 3.1Å
97	Y	41.9	Very low	53.7	Low	121 Å²	121	82.6 Å²	82.6	48%	0.475	43%	0.427	S	S	.	.	H	α-helix	trans	-115.3	4	-173.4	-57.9	-80.2	0	0	0	113	L92 L93 V99	L92-Y97 HydrophobicContact CD2-CE2 3.88Å; L93-Y97 HydrophobicContact CD2-CD2 4.15Å; L93-Y97 WeakPolarHBondContact O-CB 3.18Å; L93-Y97 PolarHBondContact O-N 2.89Å; Y97-V99 VanDerWaalsContact O-CG2 3.27Å; Y97-V99 WeakPolarHBondContact O-CG2 3.46Å; Y97-V99 PolarHBondContact O-N 3.36Å
98	S	50.9	Low	53.2	Low	112 Å²	112	83.1 Å²	83.1	78%	0.783	43%	0.425	S	S	*	.			trans	54.1	34.2	-176.8	-60.3	0	0	0	0	112.7	E94	E94-S98 VanDerWaalsContact O-CA 3.22Å; E94-S98 WeakPolarHBondContact O-CA 3.21Å; E94-S98 PolarHBondContact O-N 3.15Å
99	V	47.2	Very low	53	Low	10 Å²	10	81.2 Å²	81.2	6%	0.061	42%	0.416	C	S	.	.			trans	-101.6	109.7	-174.7	175.3	0	0	0	0	110.7	M1 L93 E94 Y97 V101	M1-V99 HydrophobicContact CB-CG2 3.75Å; M1-V99 WeakPolarHBondContact O-CG1 3.41Å; M1-V99 VanDerWaalsContact O-CG2 3.26Å; M1-V99 WeakPolarHBondContact O-CG2 3.46Å; L93-V99 WeakPolarHBondContact O-CB 3.29Å; L93-V99 PolarHBondContact O-N 3.05Å; E94-V99 WeakPolarHBondContact CA-O 3.49Å; E94-V99 WeakPolarHBondContact CG-O 3.36Å; Y97-V99 VanDerWaalsContact O-CG2 3.27Å; Y97-V99 WeakPolarHBondContact O-CG2 3.46Å; Y97-V99 PolarHBondContact O-N 3.36Å; V99-V101 PolarHBondContact O-N 3.48Å
100	K	55.6	Low	52.6	Low	192 Å²	192	78.7 Å²	78.7	84%	0.835	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-70.6	120.6	167.1	-66.4	-172.6	178.9	-178.2	0	110.7	S102	K100-S102 PolarHBondContact O-N 3.05Å
101	V	50.7	Low	52.4	Low	27 Å²	27	80.3 Å²	80.3	16%	0.164	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-76.1	117.5	172.9	178	0	0	0	0	108.5	V90 L93 E94 V99 K103 F107	V90-V101 HydrophobicContact CG1-CB 4.49Å; V90-V101 HydrophobicContact CG1-CG2 4.15Å; V90-V101 HydrophobicContact CG2-CG2 4.38Å; L93-V101 HydrophobicContact CD1-CG2 4.46Å; E94-V101 PolarHBondContact OE1-N 3.4Å; V99-V101 PolarHBondContact O-N 3.48Å; V101-K103 PolarHBondContact O-N 3.47Å; V101-F107 HydrophobicContact CG1-CD1 3.97Å
102	S	56.1	Low	52	Low	63 Å²	63	76.4 Å²	76.4	44%	0.441	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63.7	133.7	179.1	178.5	0	0	0	0	111.1	K100 S104 S105 Y108	K100-S102 PolarHBondContact O-N 3.05Å; S102-S104 PolarHBondContact O-N 3.3Å; S102-S104 VanDerWaalsContact O-N 3.13Å; S102-S104 PolarHBondContact OG-N 2.84Å; S102-S104 PolarHBondContact OG-OG 3.04Å; S102-S105 VanDerWaalsContact O-CB 3.29Å; S102-S105 WeakPolarHBondContact O-CB 3.3Å; S102-S105 PolarHBondContact O-N 3.25Å; S102-S105 PolarHBondContact O-OG 2.58Å; S102-Y108 WeakPolarHBondContact O-CB 3.48Å
103	K	54.5	Low	52.2	Low	144 Å²	144	78.7 Å²	78.7	63%	0.626	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.3	172	-64	-169.8	177.3	178.1	0	113.3	V101 Y108 Q109	V101-K103 PolarHBondContact O-N 3.47Å; K103-Y108 HydrophobicContact CB-CD1 4Å; K103-Y108 HydrophobicContact CB-CE1 3.96Å; K103-Y108 HydrophobicContact CB-CG 4.36Å; K103-Y108 HydrophobicContact CD-CE1 4.41Å; K103-Y108 HydrophobicContact CG-CD1 4.34Å; K103-Y108 HydrophobicContact CG-CD2 4.37Å; K103-Y108 HydrophobicContact CG-CE1 3.93Å; K103-Y108 HydrophobicContact CG-CE2 3.92Å; K103-Y108 VanDerWaalsContact O-CD1 3.27Å; K103-Y108 WeakPolarHBondContact O-CD1 3.32Å; K103-Q109 PolarHBondContact O-NE2 2.81Å
104	S	49.2	Very low	52.5	Low	97 Å²	97	80.9 Å²	80.9	68%	0.678	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.9	176.5	63.8	0	0	0	0	114	S102	S102-S104 PolarHBondContact O-N 3.3Å; S102-S104 VanDerWaalsContact O-N 3.13Å; S102-S104 PolarHBondContact OG-N 2.84Å; S102-S104 PolarHBondContact OG-OG 3.04Å
105	S	48.8	Very low	52.5	Low	34 Å²	34	79.7 Å²	79.7	24%	0.238	40%	0.401	C	S	.	.	S	Bend	trans	-64.4	145.4	177.2	66.5	0	0	0	0	110.9	S102 F107 Y108 Q109	S102-S105 VanDerWaalsContact O-CB 3.29Å; S102-S105 WeakPolarHBondContact O-CB 3.3Å; S102-S105 PolarHBondContact O-N 3.25Å; S102-S105 PolarHBondContact O-OG 2.58Å; S105-F107 PolarHBondContact O-N 3.33Å; S105-Y108 PolarHBondContact O-N 2.86Å; S105-Y108 WeakPolarHBondContact OG-CB 3.3Å; S105-Y108 PolarHBondContact OG-N 2.83Å; S105-Y108 VanDerWaalsContact OG-N 3.08Å; S105-Q109 WeakPolarHBondContact O-CG 3.25Å; S105-Q109 PolarHBondContact O-N 3.24Å
106	T	49.4	Very low	52.3	Low	70 Å²	70	78.1 Å²	78.1	43%	0.429	40%	0.399	S	S	.	.	H	α-helix	trans	-52.5	-39.9	172.4	-47.7	0	0	0	0	110.5	Q109 C110	T106-Q109 PolarHBondContact O-N 3.25Å; T106-C110 WeakPolarHBondContact O-CB 3.33Å; T106-C110 PolarHBondContact O-N 3.14Å; T106-C110 PolarHBondContact O-SG 2.99Å
107	F	49.2	Very low	52.8	Low	34 Å²	34	73.8 Å²	73.8	15%	0.149	39%	0.391	C	S	.	.	H	α-helix	trans	-53.1	-56.9	173.1	179.6	-82.8	0	0	0	112.3	L86 L89 V90 V101 S105 Q109 C110 F111 V112 F163	L86-F107 HydrophobicContact CB-CZ 4.02Å; L86-F107 HydrophobicContact CD2-CD2 4.46Å; L86-F107 HydrophobicContact CD2-CE2 3.42Å; L86-F107 VanDerWaalsContact CD2-CE2 3.42Å; L86-F107 HydrophobicContact CD2-CZ 3.7Å; L86-F107 HydrophobicContact CG-CE2 4.5Å; L86-F107 HydrophobicContact CG-CZ 4.39Å; L89-F107 HydrophobicContact CD2-CE2 3.97Å; L89-F107 HydrophobicContact CD2-CZ 4.37Å; V90-F107 HydrophobicContact CG2-CD1 4.32Å; V90-F107 HydrophobicContact CG2-CE1 3.23Å; V90-F107 HydrophobicContact CG2-CZ 3.65Å; V101-F107 HydrophobicContact CG1-CD1 3.97Å; S105-F107 PolarHBondContact O-N 3.33Å; F107-Q109 PolarHBondContact O-N 2.81Å; F107-C110 PolarHBondContact O-N 3.37Å; F107-F111 HydrophobicContact CD2-CD2 4.45Å; F107-F111 WeakPolarHBondContact O-CD2 3.26Å; F107-F111 PolarHBondContact O-N 3.19Å; F107-V112 HydrophobicContact CE1-CG2 4.22Å; F107-F163 HydrophobicContact CD2-CE2 4.34Å; F107-F163 HydrophobicContact CD2-CZ 4.39Å; F107-F163 HydrophobicContact CE2-CZ 4.25Å
108	Y	52.8	Low	53.4	Low	61 Å²	61	68.7 Å²	68.7	24%	0.239	37%	0.372	C	S	.	.	I	π-helix	trans	-65.3	-42.9	-178	-171	-79.7	0	0	0	111.8	S102 K103 S105 C110 V112 K113	S102-Y108 WeakPolarHBondContact O-CB 3.48Å; K103-Y108 HydrophobicContact CB-CD1 4Å; K103-Y108 HydrophobicContact CB-CE1 3.96Å; K103-Y108 HydrophobicContact CB-CG 4.36Å; K103-Y108 HydrophobicContact CD-CE1 4.41Å; K103-Y108 HydrophobicContact CG-CD1 4.34Å; K103-Y108 HydrophobicContact CG-CD2 4.37Å; K103-Y108 HydrophobicContact CG-CE1 3.93Å; K103-Y108 HydrophobicContact CG-CE2 3.92Å; K103-Y108 VanDerWaalsContact O-CD1 3.27Å; K103-Y108 WeakPolarHBondContact O-CD1 3.32Å; S105-Y108 PolarHBondContact O-N 2.86Å; S105-Y108 WeakPolarHBondContact OG-CB 3.3Å; S105-Y108 PolarHBondContact OG-N 2.83Å; S105-Y108 VanDerWaalsContact OG-N 3.08Å; Y108-C110 PolarHBondContact O-N 3.09Å; Y108-V112 HydrophobicContact CD1-CB 4.22Å; Y108-V112 HydrophobicContact CD2-CB 3.75Å; Y108-V112 HydrophobicContact CD2-CG1 3.92Å; Y108-V112 HydrophobicContact CD2-CG2 3.85Å; Y108-V112 HydrophobicContact CE1-CB 4.31Å; Y108-V112 HydrophobicContact CE1-CG1 4.23Å; Y108-V112 HydrophobicContact CE2-CB 3.88Å; Y108-V112 HydrophobicContact CE2-CG1 3.5Å; Y108-V112 VanDerWaalsContact CE2-CG1 3.5Å; Y108-V112 HydrophobicContact CE2-CG2 4.28Å; Y108-V112 HydrophobicContact CG-CB 3.93Å; Y108-V112 HydrophobicContact CG-CG1 4.45Å; Y108-V112 HydrophobicContact CG-CG2 4.25Å; Y108-V112 WeakPolarHBondContact O-CB 3.33Å; Y108-V112 PolarHBondContact O-N 2.64Å; Y108-K113 PolarHBondContact O-N 2.95Å
109	Q	56.8	Low	53.8	Low	76 Å²	76	66.7 Å²	66.7	36%	0.355	35%	0.353	S	S	.	.	I	π-helix	trans	-66.3	-35.8	-179.5	-70.1	-66	-35.8	0	0	112.7	K103 S105 T106 F107	K103-Q109 PolarHBondContact O-NE2 2.81Å; S105-Q109 WeakPolarHBondContact O-CG 3.25Å; S105-Q109 PolarHBondContact O-N 3.24Å; T106-Q109 PolarHBondContact O-N 3.25Å; F107-Q109 PolarHBondContact O-N 2.81Å
110	C	49.8	Very low	54.4	Low	12 Å²	12	68.5 Å²	68.5	8%	0.081	37%	0.369	C	S	.	.	I	π-helix	trans	-84	-31.2	-176.8	-63.8	0	0	0	0	113.3	T106 F107 Y108 K114 C195	T106-C110 WeakPolarHBondContact O-CB 3.33Å; T106-C110 PolarHBondContact O-N 3.14Å; T106-C110 PolarHBondContact O-SG 2.99Å; F107-C110 PolarHBondContact O-N 3.37Å; Y108-C110 PolarHBondContact O-N 3.09Å; C110-K114 WeakPolarHBondContact O-CB 3.4Å; C110-K114 WeakPolarHBondContact O-CD 3.5Å; C110-K114 VanDerWaalsContact O-CG 3.25Å; C110-K114 WeakPolarHBondContact O-CG 3.48Å; C110-C195 WeakPolarHBondContact CA-SG 3.38Å; C110-C195 HydrophobicContact CB-CB 3.68Å; C110-C195 WeakPolarHBondContact CB-SG 3.13Å; C110-C195 WeakPolarHBondContact SG-CA 3.38Å; C110-C195 WeakPolarHBondContact SG-CB 3.08Å; C110-C195 CovalentContact SG-SG 2.05Å; C110-C195 PolarHBondContact SG-SG 2.9Å
111	F	52.9	Low	54.5	Low	56 Å²	56	62.7 Å²	62.7	25%	0.246	35%	0.347	C	S	.	.	I	π-helix	trans	-116.8	-52.9	-171.3	-61.2	-75.6	0	0	0	113.1	V82 L86 F107 K114 K115 F163	V82-F111 HydrophobicContact CG1-CD1 3.87Å; V82-F111 HydrophobicContact CG1-CE1 3.9Å; L86-F111 HydrophobicContact CD1-CB 3.31Å; L86-F111 HydrophobicContact CD1-CD1 3.14Å; L86-F111 HydrophobicContact CD1-CD2 3.85Å; L86-F111 HydrophobicContact CD1-CE1 3.82Å; L86-F111 HydrophobicContact CD1-CE2 4.45Å; L86-F111 HydrophobicContact CD1-CG 3.15Å; L86-F111 HydrophobicContact CD1-CZ 4.42Å; F107-F111 HydrophobicContact CD2-CD2 4.45Å; F107-F111 WeakPolarHBondContact O-CD2 3.26Å; F107-F111 PolarHBondContact O-N 3.19Å; F111-K114 PolarHBondContact O-N 3.17Å; F111-K115 WeakPolarHBondContact O-CB 3.22Å; F111-K115 PolarHBondContact O-N 2.92Å; F111-F163 HydrophobicContact CD2-CE2 4.39Å; F111-F163 AromaticContact CE2-CD2 3.67Å; F111-F163 HydrophobicContact CE2-CD2 3.67Å; F111-F163 AromaticContact CE2-CE2 3.55Å; F111-F163 HydrophobicContact CE2-CE2 3.55Å; F111-F163 AromaticContact CZ-CD2 3.53Å; F111-F163 HydrophobicContact CZ-CD2 3.53Å; F111-F163 AromaticContact CZ-CE2 3.85Å; F111-F163 HydrophobicContact CZ-CE2 3.85Å
112	V	55.2	Low	54.7	Low	32 Å²	32	62.7 Å²	62.7	19%	0.194	35%	0.35	C	S	.	.	I	π-helix	trans	-70	-37.2	-178.5	-174.2	0	0	0	0	111.5	F107 Y108 K115	F107-V112 HydrophobicContact CE1-CG2 4.22Å; Y108-V112 HydrophobicContact CD1-CB 4.22Å; Y108-V112 HydrophobicContact CD2-CB 3.75Å; Y108-V112 HydrophobicContact CD2-CG1 3.92Å; Y108-V112 HydrophobicContact CD2-CG2 3.85Å; Y108-V112 HydrophobicContact CE1-CB 4.31Å; Y108-V112 HydrophobicContact CE1-CG1 4.23Å; Y108-V112 HydrophobicContact CE2-CB 3.88Å; Y108-V112 HydrophobicContact CE2-CG1 3.5Å; Y108-V112 VanDerWaalsContact CE2-CG1 3.5Å; Y108-V112 HydrophobicContact CE2-CG2 4.28Å; Y108-V112 HydrophobicContact CG-CB 3.93Å; Y108-V112 HydrophobicContact CG-CG1 4.45Å; Y108-V112 HydrophobicContact CG-CG2 4.25Å; Y108-V112 WeakPolarHBondContact O-CB 3.33Å; Y108-V112 PolarHBondContact O-N 2.64Å; V112-K115 VanDerWaalsContact O-CB 3.3Å; V112-K115 WeakPolarHBondContact O-CB 3.41Å
113	K	57.5	Low	54.9	Low	130 Å²	130	63.5 Å²	63.5	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-72.3	-36.1	174.4	-168.1	-179.3	179.7	-177.3	0	112.1	Y108 K115 S116	Y108-K113 PolarHBondContact O-N 2.95Å; K113-K115 VanDerWaalsContact C-N 3.31Å; K113-S116 PolarHBondContact O-OG 3.35Å
114	K	56.1	Low	55	Low	85 Å²	85	63.2 Å²	63.2	37%	0.37	36%	0.356	S	S	.	.	H	α-helix	trans	-73	-24.6	176.4	-70.9	-163.3	-177.8	-175.7	0	112.2	C110 F111 S116 A117 T118 C195 I196	C110-K114 WeakPolarHBondContact O-CB 3.4Å; C110-K114 WeakPolarHBondContact O-CD 3.5Å; C110-K114 VanDerWaalsContact O-CG 3.25Å; C110-K114 WeakPolarHBondContact O-CG 3.48Å; F111-K114 PolarHBondContact O-N 3.17Å; K114-S116 VanDerWaalsContact C-N 3.33Å; K114-S116 PolarHBondContact O-N 2.93Å; K114-A117 WeakPolarHBondContact O-CB 3.35Å; K114-A117 PolarHBondContact O-N 3.22Å; K114-A117 VanDerWaalsContact O-N 3.07Å; K114-T118 PolarHBondContact O-N 3.29Å; K114-T118 PolarHBondContact O-OG1 2.97Å; K114-T118 VanDerWaalsContact O-OG1 3.04Å; K114-C195 PolarHBondContact NZ-O 2.89Å; K114-C195 VanDerWaalsContact NZ-O 3.14Å; K114-I196 PolarHBondContact NZ-O 3.36Å; K114-I196 VanDerWaalsContact NZ-O 3.09Å
115	K	57.3	Low	55.1	Low	54 Å²	54	59.1 Å²	59.1	24%	0.235	33%	0.327	C	S	.	.	H	α-helix	trans	-49.5	-47.5	173.8	170	178	-164.6	-178	0	113.2	V83 D87 F111 V112 K113 A117 T118 N119	V83-K115 HydrophobicContact CG1-CB 3.87Å; V83-K115 HydrophobicContact CG1-CD 3.53Å; V83-K115 HydrophobicContact CG1-CG 3.43Å; V83-K115 VanDerWaalsContact CG1-CG 3.43Å; V83-K115 HydrophobicContact CG2-CB 3.95Å; V83-K115 HydrophobicContact CG2-CG 4.36Å; D87-K115 IonicContact OD1-NZ 2.76Å; D87-K115 PolarHBondContact OD1-NZ 3.38Å; D87-K115 VanDerWaalsContact OD2-CE 3.3Å; D87-K115 WeakPolarHBondContact OD2-CE 3.3Å; D87-K115 IonicContact OD2-NZ 2.62Å; D87-K115 PolarHBondContact OD2-NZ 2.91Å; F111-K115 WeakPolarHBondContact O-CB 3.22Å; F111-K115 PolarHBondContact O-N 2.92Å; V112-K115 VanDerWaalsContact O-CB 3.3Å; V112-K115 WeakPolarHBondContact O-CB 3.41Å; K113-K115 VanDerWaalsContact C-N 3.31Å; K115-A117 VanDerWaalsContact C-N 3.27Å; K115-A117 PolarHBondContact O-N 2.7Å; K115-T118 CarbonylContact O-C 2.98Å; K115-T118 PolarHBondContact O-N 3.08Å; K115-T118 VanDerWaalsContact O-N 3.17Å; K115-N119 WeakPolarHBondContact O-CB 3.41Å; K115-N119 PolarHBondContact O-N 3.33Å; K115-N119 PolarHBondContact O-OD1 3.43Å
116	S	57.9	Low	55.4	Low	85 Å²	85	64.9 Å²	64.9	59%	0.594	36%	0.355	S	S	*	.	H	α-helix	trans	-63.2	-37.9	-178.1	61.8	0	0	0	0	111.5	K113 K114 A120	K113-S116 PolarHBondContact O-OG 3.35Å; K114-S116 VanDerWaalsContact C-N 3.33Å; K114-S116 PolarHBondContact O-N 2.93Å; S116-A120 WeakPolarHBondContact O-CB 3.48Å; S116-A120 PolarHBondContact O-N 2.84Å
117	A	59.8	Low	55.6	Low	55 Å²	55	70.7 Å²	70.7	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-68.4	-41.5	173.9	0	0	0	0	0	111.6	K114 K115 L121	K114-A117 WeakPolarHBondContact O-CB 3.35Å; K114-A117 PolarHBondContact O-N 3.22Å; K114-A117 VanDerWaalsContact O-N 3.07Å; K115-A117 VanDerWaalsContact C-N 3.27Å; K115-A117 PolarHBondContact O-N 2.7Å; A117-L121 WeakPolarHBondContact O-CB 3.47Å; A117-L121 WeakPolarHBondContact O-CD1 3.41Å; A117-L121 VanDerWaalsContact O-CG 3.3Å; A117-L121 WeakPolarHBondContact O-CG 3.27Å; A117-L121 PolarHBondContact O-N 3.16Å
118	T	54.6	Low	56.3	Low	13 Å²	13	74.4 Å²	74.4	8%	0.08	39%	0.39	C	S	.	.	H	α-helix	trans	-65.4	-42.6	176.1	-53.6	0	0	0	0	112.4	T79 K114 K115 L121 A122	T79-T118 HydrophobicContact CG2-CG2 3.32Å; T79-T118 WeakPolarHBondContact CG2-OG1 3.34Å; K114-T118 PolarHBondContact O-N 3.29Å; K114-T118 PolarHBondContact O-OG1 2.97Å; K114-T118 VanDerWaalsContact O-OG1 3.04Å; K115-T118 CarbonylContact O-C 2.98Å; K115-T118 PolarHBondContact O-N 3.08Å; K115-T118 VanDerWaalsContact O-N 3.17Å; T118-L121 CarbonylContact O-C 3.55Å; T118-L121 WeakPolarHBondContact O-CB 3.49Å; T118-L121 PolarHBondContact O-N 2.96Å; T118-A122 WeakPolarHBondContact O-CB 3.22Å; T118-A122 PolarHBondContact O-N 2.89Å
119	N	57.6	Low	57.2	Low	70 Å²	70	76.2 Å²	76.2	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-67.9	-41.1	179.8	-75.7	4.6	0	0	0	110.6	K115 A122 S123	K115-N119 WeakPolarHBondContact O-CB 3.41Å; K115-N119 PolarHBondContact O-N 3.33Å; K115-N119 PolarHBondContact O-OD1 3.43Å; N119-A122 PolarHBondContact O-N 3.49Å; N119-S123 WeakPolarHBondContact O-CB 3.43Å; N119-S123 PolarHBondContact O-N 2.83Å; N119-S123 PolarHBondContact O-OG 3.43Å
120	A	60.2	Low	58.3	Low	49 Å²	49	73.9 Å²	73.9	41%	0.405	40%	0.403	S	S	.	.	H	α-helix	trans	-58.2	-49.9	172.2	0	0	0	0	0	110.6	S116 A122 S123 E124	S116-A120 WeakPolarHBondContact O-CB 3.48Å; S116-A120 PolarHBondContact O-N 2.84Å; A120-A122 PolarHBondContact O-N 3.04Å; A120-S123 PolarHBondContact O-N 2.69Å; A120-S123 PolarHBondContact O-OG 3.45Å; A120-E124 PolarHBondContact O-N 2.89Å; A120-E124 VanDerWaalsContact O-N 3.09Å
121	L	57.5	Low	59.8	Low	70 Å²	70	79 Å²	79	37%	0.366	44%	0.435	S	S	.	.	H	α-helix	trans	-57.6	-48	173.7	-75.6	160.2	0	0	0	111.7	F72 L76 A117 T118 S123 E124 N125	F72-L121 HydrophobicContact CZ-CD2 4.41Å; L76-L121 HydrophobicContact CD2-CB 3.67Å; A117-L121 WeakPolarHBondContact O-CB 3.47Å; A117-L121 WeakPolarHBondContact O-CD1 3.41Å; A117-L121 VanDerWaalsContact O-CG 3.3Å; A117-L121 WeakPolarHBondContact O-CG 3.27Å; A117-L121 PolarHBondContact O-N 3.16Å; T118-L121 CarbonylContact O-C 3.55Å; T118-L121 WeakPolarHBondContact O-CB 3.49Å; T118-L121 PolarHBondContact O-N 2.96Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 3.38Å; L121-E124 PolarHBondContact O-N 2.8Å; L121-N125 WeakPolarHBondContact O-CB 3.5Å; L121-N125 PolarHBondContact O-N 3.07Å; L121-N125 VanDerWaalsContact O-N 3.15Å; L121-N125 PolarHBondContact O-ND2 3.47Å
122	A	56.6	Low	61	Low	27 Å²	27	79.2 Å²	79.2	22%	0.223	44%	0.443	C	S	.	.	H	α-helix	trans	-59.5	-44.1	-179.8	0	0	0	0	0	111.5	T118 N119 A120 E124 N125 D126	T118-A122 WeakPolarHBondContact O-CB 3.22Å; T118-A122 PolarHBondContact O-N 2.89Å; N119-A122 PolarHBondContact O-N 3.49Å; A120-A122 PolarHBondContact O-N 3.04Å; A122-E124 PolarHBondContact O-N 3.11Å; A122-N125 PolarHBondContact O-N 3.07Å; A122-D126 PolarHBondContact O-N 3.14Å; A122-D126 VanDerWaalsContact O-N 3.16Å
123	S	58.3	Low	62.2	Low	80 Å²	80	78 Å²	78	56%	0.559	44%	0.435	S	S	*	.	H	α-helix	trans	-66.3	-32.9	179.5	64.7	0	0	0	0	114.2	N119 A120 L121 N125	N119-S123 WeakPolarHBondContact O-CB 3.43Å; N119-S123 PolarHBondContact O-N 2.83Å; N119-S123 PolarHBondContact O-OG 3.43Å; A120-S123 PolarHBondContact O-N 2.69Å; A120-S123 PolarHBondContact O-OG 3.45Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 3.38Å; S123-N125 PolarHBondContact O-N 3.48Å
124	E	56.5	Low	62.8	Low	137 Å²	137	80 Å²	80	64%	0.64	45%	0.447	S	S	*	.	H	α-helix	trans	-70.6	-24.9	171.3	-73.1	179.3	-178.9	0	0	111.9	A120 L121 A122	A120-E124 PolarHBondContact O-N 2.89Å; A120-E124 VanDerWaalsContact O-N 3.09Å; L121-E124 PolarHBondContact O-N 2.8Å; A122-E124 PolarHBondContact O-N 3.11Å
125	N	52.1	Low	63	Low	12 Å²	12	77.8 Å²	77.8	6%	0.064	44%	0.441	C	S	.	.	H	α-helix	trans	-101.9	-6.1	-167.7	-69.5	-44	0	0	0	116	F72 L76 L121 A122 S123 K127 K128	F72-N125 VanDerWaalsContact CE1-ND2 3.34Å; F72-N125 WeakPolarHBondContact CE1-ND2 3.35Å; F72-N125 WeakPolarHBondContact CE1-OD1 3.2Å; F72-N125 VanDerWaalsContact CZ-ND2 3.27Å; F72-N125 WeakPolarHBondContact CZ-ND2 3.33Å; L76-N125 HydrophobicContact CD1-CB 3.81Å; L76-N125 WeakPolarHBondContact CD1-ND2 3.03Å; L121-N125 WeakPolarHBondContact O-CB 3.5Å; L121-N125 PolarHBondContact O-N 3.07Å; L121-N125 VanDerWaalsContact O-N 3.15Å; L121-N125 PolarHBondContact O-ND2 3.47Å; A122-N125 PolarHBondContact O-N 3.07Å; S123-N125 PolarHBondContact O-N 3.48Å; N125-K127 PolarHBondContact O-N 2.05Å; N125-K128 HydrophobicContact CB-CB 4.4Å; N125-K128 PolarHBondContact O-N 3.42Å; N125-K128 WeakPolarHBondContact OD1-CD 3.07Å; N125-K128 WeakPolarHBondContact OD1-CE 3.19Å; N125-K128 VanDerWaalsContact OD1-CG 3.3Å; N125-K128 WeakPolarHBondContact OD1-CG 3.25Å
126	D	54.5	Low	63.3	Low	155 Å²	155	84.7 Å²	84.7	83%	0.829	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-12.9	162.9	-77.1	-19.2	0	0	0	111.8	A122	A122-D126 PolarHBondContact O-N 3.14Å; A122-D126 VanDerWaalsContact O-N 3.16Å
127	K	55.1	Low	63.7	Low	191 Å²	191	83.9 Å²	83.9	83%	0.83	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-10.7	174.6	-58.3	-177	-177.5	179	0	115.5	N125 S129	N125-K127 PolarHBondContact O-N 2.05Å; K127-S129 PolarHBondContact O-N 3.47Å
128	K	64	Low	64.5	Low	113 Å²	113	87.8 Å²	87.8	49%	0.491	46%	0.463	S	S	.	.			trans	-88.6	104.8	-179.2	-77.9	-158.7	-166.3	170.2	0	110.6	F72 L73 N125	F72-K128 HydrophobicContact CE1-CD 3.99Å; L73-K128 HydrophobicContact CD2-CB 4.1Å; L73-K128 WeakPolarHBondContact CD2-O 3.11Å; N125-K128 HydrophobicContact CB-CB 4.4Å; N125-K128 PolarHBondContact O-N 3.42Å; N125-K128 WeakPolarHBondContact OD1-CD 3.07Å; N125-K128 WeakPolarHBondContact OD1-CE 3.19Å; N125-K128 VanDerWaalsContact OD1-CG 3.3Å; N125-K128 WeakPolarHBondContact OD1-CG 3.25Å
129	S	70.4	Confident	65.9	Low	99 Å²	99	93.1 Å²	93.1	69%	0.692	49%	0.49	S	S	*	.			trans	-92.8	139.7	162.5	55	0	0	0	0	109.9	K127 T131	K127-S129 PolarHBondContact O-N 3.47Å; S129-T131 PolarHBondContact O-N 2.87Å
130	C	80.4	Confident	67.3	Low	26 Å²	26	90.3 Å²	90.3	18%	0.176	48%	0.475	C	S	.	.			trans	-77.4	121	166.7	-58.9	0	0	0	0	109.2	Y66 C69 L70 L73 S132	Y66-C130 HydrophobicContact CD2-CB 3.99Å; Y66-C130 HydrophobicContact CE2-CB 3.89Å; C69-C130 HydrophobicContact CB-CB 3.87Å; C69-C130 WeakPolarHBondContact CB-SG 3.47Å; C69-C130 PolarHBondContact O-SG 2.94Å; C69-C130 WeakPolarHBondContact SG-CA 3.4Å; C69-C130 WeakPolarHBondContact SG-CB 2.98Å; C69-C130 CovalentContact SG-SG 2.04Å; C69-C130 PolarHBondContact SG-SG 3.18Å; L70-C130 HydrophobicContact CD2-CB 4.33Å; L70-C130 PolarHBondContact N-SG 2.93Å; L73-C130 WeakPolarHBondContact CD1-SG 3.4Å; C130-S132 PolarHBondContact O-N 3.45Å; C130-S132 VanDerWaalsContact O-N 3.17Å
131	T	80.6	Confident	68.5	Low	120 Å²	120	88.3 Å²	88.3	74%	0.736	46%	0.458	S	S	*	.			trans	-69.7	112.1	172.5	-54.9	0	0	0	0	108.3	Y66 S129	Y66-T131 VanDerWaalsContact CD2-O 3.28Å; Y66-T131 WeakPolarHBondContact CD2-O 3.14Å; S129-T131 PolarHBondContact O-N 2.87Å
132	S	79	Confident	70	Confident	61 Å²	61	88.7 Å²	88.7	43%	0.427	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-60.2	129.5	171.3	-179.9	0	0	0	0	108.6	C130	C130-S132 PolarHBondContact O-N 3.45Å; C130-S132 VanDerWaalsContact O-N 3.17Å
133	P	80.3	Confident	71.6	Confident	5 Å²	5	89.2 Å²	89.2	3%	0.032	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-55.4	145.2	169.7	-20.3	30.6	0	0	0	109.7	V62 Y63 Y66 P135	V62-P133 HydrophobicContact CG1-CB 3.88Å; V62-P133 HydrophobicContact CG1-CG 4.04Å; Y63-P133 HydrophobicContact CD1-CB 3.9Å; Y63-P133 HydrophobicContact CD1-CG 3.67Å; Y63-P133 HydrophobicContact CE1-CB 3.59Å; Y63-P133 HydrophobicContact CE1-CG 3.88Å; Y66-P133 HydrophobicContact CD1-CG 4.22Å; Y66-P133 HydrophobicContact CG-CG 3.96Å; P133-P135 WeakPolarHBondContact O-CD 3.48Å; P133-P135 VanDerWaalsContact O-N 3.16Å
134	E	69	Low	73.2	Confident	174 Å²	174	85.4 Å²	85.4	81%	0.813	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-61.8	116.5	173.3	-77.1	-159.6	161.6	0	0	109.7
135	P	61.7	Low	74.7	Confident	38 Å²	38	80.6 Å²	80.6	25%	0.247	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-80.9	138.6	177.1	26.8	-23.9	0	0	0	110.6	P133 N137 H138 I141	P133-P135 WeakPolarHBondContact O-CD 3.48Å; P133-P135 VanDerWaalsContact O-N 3.16Å; P135-N137 VanDerWaalsContact C-N 3.32Å; P135-H138 WeakPolarHBondContact CG-CE1 3.34Å; P135-H138 VanDerWaalsContact CG-ND1 3.26Å; P135-H138 WeakPolarHBondContact CG-ND1 3.22Å; P135-I141 HydrophobicContact CB-CG1 3.75Å
136	R	62.3	Low	76.6	Confident	199 Å²	199	85.1 Å²	85.1	75%	0.751	44%	0.442	S	S	*	.	S	Bend	trans	-74.1	-28.8	145.4	-82	-173.4	173.7	-174.2	-1.9	111.5	L56	L56-R136 HydrophobicContact CD1-CG 4.47Å
137	N	68	Low	78.4	Confident	68 Å²	68	80.3 Å²	80.3	36%	0.364	42%	0.415	S	S	.	.			trans	-134.7	106.5	179.4	-175.4	2.1	0	0	0	111.2	P135 I139 D140	P135-N137 VanDerWaalsContact C-N 3.32Å; N137-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact O-N 3.15Å; N137-I139 WeakPolarHBondContact OD1-CB 3.24Å; N137-I139 PolarHBondContact OD1-N 2.8Å; N137-I139 VanDerWaalsContact OD1-N 3.08Å; N137-D140 PolarHBondContact ND2-OD2 2.89Å; N137-D140 PolarHBondContact O-N 3.49Å
138	H	75.8	Confident	80	Confident	136 Å²	136	71.2 Å²	71.2	63%	0.63	38%	0.375	S	S	*	.	H	α-helix	trans	-58.6	-26.9	179.5	-71.3	-81.5	0	0	0	113.1	P135 T142	P135-H138 WeakPolarHBondContact CG-CE1 3.34Å; P135-H138 VanDerWaalsContact CG-ND1 3.26Å; P135-H138 WeakPolarHBondContact CG-ND1 3.22Å; H138-T142 WeakPolarHBondContact O-CB 3.38Å; H138-T142 PolarHBondContact O-N 2.8Å; H138-T142 PolarHBondContact O-OG1 3.2Å
139	I	85	Confident	81	Confident	125 Å²	125	68.5 Å²	68.5	64%	0.641	37%	0.368	S	S	*	.	H	α-helix	trans	-66.6	-42.4	-179.1	-61.2	172.7	0	0	0	110.7	N137 T142 S143	N137-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact O-N 3.15Å; N137-I139 WeakPolarHBondContact OD1-CB 3.24Å; N137-I139 PolarHBondContact OD1-N 2.8Å; N137-I139 VanDerWaalsContact OD1-N 3.08Å; I139-T142 PolarHBondContact O-N 2.97Å; I139-S143 WeakPolarHBondContact O-CB 3.41Å; I139-S143 PolarHBondContact O-N 3.14Å
140	D	86.4	Confident	81.8	Confident	11 Å²	11	69.8 Å²	69.8	6%	0.059	36%	0.361	C	S	.	.	H	α-helix	trans	-70.7	-34.6	-177.2	-72	-57.1	0	0	0	112.2	Q48 K51 L52 N137 S143 L144	Q48-D140 PolarHBondContact NE2-O 3.24Å; Q48-D140 PolarHBondContact NE2-OD1 3.13Å; K51-D140 IonicContact NZ-OD1 3.85Å; K51-D140 PolarHBondContact NZ-OD1 2.95Å; L52-D140 HydrophobicContact CD2-CB 3.47Å; L52-D140 VanDerWaalsContact CD2-CB 3.47Å; L52-D140 HydrophobicContact CG-CB 4.23Å; N137-D140 PolarHBondContact ND2-OD2 2.89Å; N137-D140 PolarHBondContact O-N 3.49Å; D140-S143 WeakPolarHBondContact O-CB 3.35Å; D140-S143 PolarHBondContact O-N 3.44Å; D140-L144 WeakPolarHBondContact O-CB 3.29Å; D140-L144 PolarHBondContact O-N 3.39Å
141	I	85.9	Confident	82.3	Confident	8 Å²	8	69.4 Å²	69.4	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-71.2	-39	173.9	-56.3	-53.3	0	0	0	111.4	L52 Y63 Y66 P135 S143 L144 T145	L52-I141 HydrophobicContact CD1-CD1 3.98Å; L52-I141 HydrophobicContact CD2-CD1 3.99Å; Y63-I141 HydrophobicContact CD1-CD1 4.04Å; Y63-I141 HydrophobicContact CE1-CD1 3.38Å; Y66-I141 HydrophobicContact CE1-CG2 4.33Å; P135-I141 HydrophobicContact CB-CG1 3.75Å; I141-S143 VanDerWaalsContact C-N 3.32Å; I141-L144 PolarHBondContact O-N 3.37Å; I141-T145 WeakPolarHBondContact O-CB 3.49Å; I141-T145 PolarHBondContact O-N 3.48Å; I141-T145 PolarHBondContact O-OG1 3.41Å
142	T	87.3	Confident	82.3	Confident	78 Å²	78	64.2 Å²	64.2	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-44.6	173.4	-57.9	0	0	0	0	110.4	H138 I139 T145 I146	H138-T142 WeakPolarHBondContact O-CB 3.38Å; H138-T142 PolarHBondContact O-N 2.8Å; H138-T142 PolarHBondContact O-OG1 3.2Å; I139-T142 PolarHBondContact O-N 2.97Å; T142-T145 WeakPolarHBondContact O-CB 3.22Å; T142-T145 PolarHBondContact O-N 2.84Å; T142-I146 HydrophobicContact CG2-CD1 3.97Å; T142-I146 WeakPolarHBondContact O-CG1 3.49Å; T142-I146 PolarHBondContact O-N 2.97Å
143	S	90.8	Very high	82.4	Confident	38 Å²	38	66.8 Å²	66.8	27%	0.266	33%	0.329	S	S	.	.	H	α-helix	trans	-58.4	-48.9	174.9	-174.1	0	0	0	0	111.8	I139 D140 I141 T145 I146 M147	I139-S143 WeakPolarHBondContact O-CB 3.41Å; I139-S143 PolarHBondContact O-N 3.14Å; D140-S143 WeakPolarHBondContact O-CB 3.35Å; D140-S143 PolarHBondContact O-N 3.44Å; I141-S143 VanDerWaalsContact C-N 3.32Å; S143-T145 VanDerWaalsContact C-N 3.3Å; S143-T145 PolarHBondContact O-N 2.85Å; S143-I146 PolarHBondContact O-N 3.4Å; S143-M147 VanDerWaalsContact O-CG 3.3Å; S143-M147 WeakPolarHBondContact O-CG 3.48Å; S143-M147 PolarHBondContact O-N 3.18Å; S143-M147 WeakPolarHBondContact OG-CE 3.42Å
144	L	91.2	Very high	82.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-42.1	176.5	-176.9	63.1	0	0	0	112	I45 Q48 I49 L52 Y63 Y66 V67 D140 I141 M147 A148	I45-L144 HydrophobicContact CG2-CD1 4Å; Q48-L144 HydrophobicContact CB-CD1 4.26Å; Q48-L144 HydrophobicContact CG-CB 4.12Å; Q48-L144 HydrophobicContact CG-CD1 4.08Å; I49-L144 HydrophobicContact CG1-CD1 3.99Å; I49-L144 HydrophobicContact CG1-CD2 4.42Å; L52-L144 HydrophobicContact CD1-CB 4.45Å; L52-L144 HydrophobicContact CD1-CD2 3.86Å; Y63-L144 HydrophobicContact CD1-CD2 4.31Å; Y66-L144 HydrophobicContact CD1-CD2 4.26Å; V67-L144 HydrophobicContact CG2-CD1 3.77Å; V67-L144 HydrophobicContact CG2-CD2 3.99Å; V67-L144 HydrophobicContact CG2-CG 3.89Å; D140-L144 WeakPolarHBondContact O-CB 3.29Å; D140-L144 PolarHBondContact O-N 3.39Å; I141-L144 PolarHBondContact O-N 3.37Å; L144-M147 PolarHBondContact O-N 2.78Å; L144-A148 PolarHBondContact O-N 2.76Å
145	T	89.4	Confident	83	Confident	36 Å²	36	60.2 Å²	60.2	22%	0.221	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-46.9	177.3	-55.4	0	0	0	0	111.1	Y66 L70 I141 T142 S143 M147 A148 V149	Y66-T145 WeakPolarHBondContact CE1-OG1 3.02Å; Y66-T145 PolarHBondContact OH-OG1 3.22Å; L70-T145 HydrophobicContact CD1-CG2 4.08Å; I141-T145 WeakPolarHBondContact O-CB 3.49Å; I141-T145 PolarHBondContact O-N 3.48Å; I141-T145 PolarHBondContact O-OG1 3.41Å; T142-T145 WeakPolarHBondContact O-CB 3.22Å; T142-T145 PolarHBondContact O-N 2.84Å; S143-T145 VanDerWaalsContact C-N 3.3Å; S143-T145 PolarHBondContact O-N 2.85Å; T145-M147 VanDerWaalsContact C-N 3.33Å; T145-M147 PolarHBondContact O-N 3.44Å; T145-A148 PolarHBondContact O-N 3.21Å; T145-V149 WeakPolarHBondContact O-CG2 3.49Å; T145-V149 PolarHBondContact O-N 3.03Å
146	I	90.9	Very high	83.5	Confident	107 Å²	107	58.6 Å²	58.6	55%	0.549	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-42.8	176.9	-69.1	166.8	0	0	0	110.9	T142 S143 V149 K150	T142-I146 HydrophobicContact CG2-CD1 3.97Å; T142-I146 WeakPolarHBondContact O-CG1 3.49Å; T142-I146 PolarHBondContact O-N 2.97Å; S143-I146 PolarHBondContact O-N 3.4Å; I146-V149 PolarHBondContact O-N 3.33Å; I146-K150 WeakPolarHBondContact O-CB 3.41Å; I146-K150 PolarHBondContact O-N 3.13Å
147	M	93.2	Very high	84.3	Confident	53 Å²	53	54 Å²	54	26%	0.261	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-44	177.6	-70	174.6	-179.2	0	0	111.9	I45 Q48 S143 L144 T145 K150 K151	I45-M147 HydrophobicContact CD1-CB 4.47Å; I45-M147 HydrophobicContact CG1-CB 3.72Å; Q48-M147 HydrophobicContact CB-CE 4.37Å; Q48-M147 HydrophobicContact CB-SD 3.76Å; Q48-M147 HydrophobicContact CG-CE 4.44Å; Q48-M147 HydrophobicContact CG-SD 3.99Å; S143-M147 VanDerWaalsContact O-CG 3.3Å; S143-M147 WeakPolarHBondContact O-CG 3.48Å; S143-M147 PolarHBondContact O-N 3.18Å; S143-M147 WeakPolarHBondContact OG-CE 3.42Å; L144-M147 PolarHBondContact O-N 2.78Å; T145-M147 VanDerWaalsContact C-N 3.33Å; T145-M147 PolarHBondContact O-N 3.44Å; M147-K150 PolarHBondContact O-N 3.4Å; M147-K151 WeakPolarHBondContact O-CB 3.15Å; M147-K151 PolarHBondContact O-N 3.08Å
148	A	88.6	Confident	84.6	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-47	175.8	0	0	0	0	0	111.6	I45 L70 L144 T145 K150 K151 I152	I45-A148 HydrophobicContact CD1-CB 4.43Å; L70-A148 HydrophobicContact CB-CB 4.17Å; L70-A148 HydrophobicContact CD1-CB 3.78Å; L144-A148 PolarHBondContact O-N 2.76Å; T145-A148 PolarHBondContact O-N 3.21Å; A148-K150 PolarHBondContact O-N 2.96Å; A148-K151 WeakPolarHBondContact O-CB 3.47Å; A148-K151 PolarHBondContact O-N 3.22Å; A148-I152 WeakPolarHBondContact O-CG1 3.36Å; A148-I152 PolarHBondContact O-N 2.96Å; A148-I152 VanDerWaalsContact O-N 3.17Å
149	V	84.7	Confident	84.2	Confident	55 Å²	55	48 Å²	48	33%	0.333	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-45.4	176.4	172.7	0	0	0	0	111.4	T145 I146 K151 I152 Q153	T145-V149 WeakPolarHBondContact O-CG2 3.49Å; T145-V149 PolarHBondContact O-N 3.03Å; I146-V149 PolarHBondContact O-N 3.33Å; V149-K151 PolarHBondContact O-N 3.21Å; V149-I152 PolarHBondContact O-N 3.19Å; V149-I152 VanDerWaalsContact O-N 3.13Å; V149-Q153 WeakPolarHBondContact O-CG 3.49Å; V149-Q153 PolarHBondContact O-N 3.31Å
150	K	88.5	Confident	83.5	Confident	127 Å²	127	46 Å²	46	55%	0.552	23%	0.232	S	C	*	.	H	α-helix	trans	-61.1	-42.6	178.1	-175.8	-180	177.7	-174.5	0	112	I146 M147 A148 I152 Q153 I154	I146-K150 WeakPolarHBondContact O-CB 3.41Å; I146-K150 PolarHBondContact O-N 3.13Å; M147-K150 PolarHBondContact O-N 3.4Å; A148-K150 PolarHBondContact O-N 2.96Å; K150-I152 VanDerWaalsContact C-N 3.25Å; K150-I152 PolarHBondContact O-N 2.67Å; K150-Q153 WeakPolarHBondContact O-CB 3.48Å; K150-Q153 PolarHBondContact O-N 3.5Å; K150-I154 HydrophobicContact CG-CD1 4.3Å; K150-I154 WeakPolarHBondContact O-CG1 3.4Å; K150-I154 PolarHBondContact O-N 2.97Å
151	K	89.1	Confident	82.9	Confident	17 Å²	17	47.7 Å²	47.7	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-56.1	-42.3	174.3	-177.8	-172.6	63.1	-172.4	0	111	L38 A41 K42 I45 D71 M147 A148 V149 I154 L155	L38-K151 HydrophobicContact CD1-CG 3.8Å; A41-K151 HydrophobicContact CB-CB 3.9Å; A41-K151 HydrophobicContact CB-CG 3.98Å; K42-K151 HydrophobicContact CG-CD 3.89Å; I45-K151 HydrophobicContact CD1-CB 4.05Å; I45-K151 HydrophobicContact CD1-CD 3.76Å; I45-K151 HydrophobicContact CD1-CG 4.47Å; D71-K151 WeakPolarHBondContact OD1-CE 3.4Å; D71-K151 IonicContact OD1-NZ 2.71Å; D71-K151 PolarHBondContact OD1-NZ 3.07Å; D71-K151 IonicContact OD2-NZ 2.69Å; D71-K151 PolarHBondContact OD2-NZ 3.22Å; M147-K151 WeakPolarHBondContact O-CB 3.15Å; M147-K151 PolarHBondContact O-N 3.08Å; A148-K151 WeakPolarHBondContact O-CB 3.47Å; A148-K151 PolarHBondContact O-N 3.22Å; V149-K151 PolarHBondContact O-N 3.21Å; K151-I154 WeakPolarHBondContact O-CB 3.27Å; K151-I154 PolarHBondContact O-N 3.47Å; K151-L155 PolarHBondContact O-N 3.3Å
152	I	80.6	Confident	81.9	Confident	11 Å²	11	49.2 Å²	49.2	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-72.4	-34.1	179.3	-58.6	-66.8	0	0	0	112.1	D71 T74 A148 V149 K150 I154 L155 G156	D71-I152 HydrophobicContact CB-CD1 4.29Å; T74-I152 HydrophobicContact CG2-CB 3.68Å; T74-I152 HydrophobicContact CG2-CG1 4.17Å; T74-I152 HydrophobicContact CG2-CG2 3.25Å; A148-I152 WeakPolarHBondContact O-CG1 3.36Å; A148-I152 PolarHBondContact O-N 2.96Å; A148-I152 VanDerWaalsContact O-N 3.17Å; V149-I152 PolarHBondContact O-N 3.19Å; V149-I152 VanDerWaalsContact O-N 3.13Å; K150-I152 VanDerWaalsContact C-N 3.25Å; K150-I152 PolarHBondContact O-N 2.67Å; I152-I154 VanDerWaalsContact C-N 3.31Å; I152-I154 PolarHBondContact O-N 3.06Å; I152-L155 HydrophobicContact CD1-CD2 4.22Å; I152-L155 WeakPolarHBondContact O-CB 3.29Å; I152-L155 PolarHBondContact O-N 3.41Å; I152-G156 PolarHBondContact O-N 3.13Å
153	Q	81.2	Confident	80.8	Confident	116 Å²	116	48.5 Å²	48.5	54%	0.542	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-40.3	171.2	-70.1	175.1	-17.8	0	0	112.1	V149 K150 G156 R157	V149-Q153 WeakPolarHBondContact O-CG 3.49Å; V149-Q153 PolarHBondContact O-N 3.31Å; K150-Q153 WeakPolarHBondContact O-CB 3.48Å; K150-Q153 PolarHBondContact O-N 3.5Å; Q153-G156 PolarHBondContact O-N 3.39Å; Q153-R157 PolarHBondContact O-N 3.07Å; Q153-R157 VanDerWaalsContact O-N 3.11Å
154	I	83.8	Confident	79.5	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-46.9	173	-64.7	157.7	0	0	0	110.1	D37 L38 A41 K150 K151 I152 G156 R157 Y158	D37-I154 HydrophobicContact CB-CD1 4.23Å; D37-I154 HydrophobicContact CB-CG1 4.43Å; D37-I154 HydrophobicContact CB-CG2 3.77Å; L38-I154 HydrophobicContact CB-CG2 4.09Å; A41-I154 HydrophobicContact CB-CD1 3.85Å; K150-I154 HydrophobicContact CG-CD1 4.3Å; K150-I154 WeakPolarHBondContact O-CG1 3.4Å; K150-I154 PolarHBondContact O-N 2.97Å; K151-I154 WeakPolarHBondContact O-CB 3.27Å; K151-I154 PolarHBondContact O-N 3.47Å; I152-I154 VanDerWaalsContact C-N 3.31Å; I152-I154 PolarHBondContact O-N 3.06Å; I154-G156 VanDerWaalsContact C-N 3.26Å; I154-G156 PolarHBondContact O-N 2.91Å; I154-R157 PolarHBondContact O-N 3.42Å; I154-Y158 WeakPolarHBondContact O-CB 3.39Å; I154-Y158 PolarHBondContact O-N 3.46Å
155	L	78.6	Confident	78.4	Confident	34 Å²	34	52.5 Å²	52.5	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-37.2	176.3	-178.7	63.2	0	0	0	112.4	L38 K151 I152 Y158 N159	L38-L155 HydrophobicContact CD1-CB 4.31Å; L38-L155 HydrophobicContact CD2-CD1 4.23Å; K151-L155 PolarHBondContact O-N 3.3Å; I152-L155 HydrophobicContact CD1-CD2 4.22Å; I152-L155 WeakPolarHBondContact O-CB 3.29Å; I152-L155 PolarHBondContact O-N 3.41Å; L155-Y158 PolarHBondContact O-N 2.87Å; L155-N159 WeakPolarHBondContact O-CB 3.26Å; L155-N159 VanDerWaalsContact O-CG 3.25Å; L155-N159 PolarHBondContact O-N 3.05Å; L155-N159 PolarHBondContact O-ND2 3.13Å
156	G	71.5	Confident	76.8	Confident	5 Å²	5	51.3 Å²	51.3	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-53.1	174.8	0	0	0	0	0	111.9	I152 Q153 I154 Y158 N159 D160	I152-G156 PolarHBondContact O-N 3.13Å; Q153-G156 PolarHBondContact O-N 3.39Å; I154-G156 VanDerWaalsContact C-N 3.26Å; I154-G156 PolarHBondContact O-N 2.91Å; G156-Y158 VanDerWaalsContact C-N 3.34Å; G156-Y158 PolarHBondContact O-N 2.85Å; G156-N159 WeakPolarHBondContact O-CB 3.32Å; G156-N159 PolarHBondContact O-N 3.44Å; G156-N159 VanDerWaalsContact O-N 3.13Å; G156-D160 PolarHBondContact O-N 2.79Å
157	R	79	Confident	75.2	Confident	101 Å²	101	50.3 Å²	50.3	38%	0.381	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-44.6	176.2	-66.3	-166.2	-53.6	-87.8	5.5	112.5	Q153 I154 N159 D160 H161	Q153-R157 PolarHBondContact O-N 3.07Å; Q153-R157 VanDerWaalsContact O-N 3.11Å; I154-R157 PolarHBondContact O-N 3.42Å; R157-N159 VanDerWaalsContact C-N 3.29Å; R157-N159 PolarHBondContact O-N 3.14Å; R157-D160 PolarHBondContact O-N 2.54Å; R157-D160 VanDerWaalsContact O-N 3.17Å; R157-H161 PolarHBondContact O-N 2.92Å; R157-H161 PolarHBondContact O-ND1 3.31Å
158	Y	74.9	Confident	73.6	Confident	56 Å²	56	49.3 Å²	49.3	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-55.3	-46	175.7	177.3	-97.5	0	0	0	111.6	L31 D34 E35 I154 L155 G156 L162	L31-Y158 HydrophobicContact CD2-CD2 3.84Å; L31-Y158 HydrophobicContact CD2-CE2 3.76Å; D34-Y158 HydrophobicContact CB-CD2 3.74Å; D34-Y158 HydrophobicContact CB-CG 4.39Å; E35-Y158 HydrophobicContact CB-CE2 4.42Å; I154-Y158 WeakPolarHBondContact O-CB 3.39Å; I154-Y158 PolarHBondContact O-N 3.46Å; L155-Y158 PolarHBondContact O-N 2.87Å; G156-Y158 VanDerWaalsContact C-N 3.34Å; G156-Y158 PolarHBondContact O-N 2.85Å; Y158-L162 HydrophobicContact CE1-CD2 4.01Å; Y158-L162 WeakPolarHBondContact O-CB 3.25Å; Y158-L162 PolarHBondContact O-N 3.45Å
159	N	68.5	Low	72.2	Confident	22 Å²	22	51.6 Å²	51.6	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-39.1	178.9	-74.2	-29.9	0	0	0	112.3	F78 L155 G156 R157 L162 F163	F78-N159 HydrophobicContact CE1-CB 3.87Å; F78-N159 HydrophobicContact CZ-CB 3.92Å; L155-N159 WeakPolarHBondContact O-CB 3.26Å; L155-N159 VanDerWaalsContact O-CG 3.25Å; L155-N159 PolarHBondContact O-N 3.05Å; L155-N159 PolarHBondContact O-ND2 3.13Å; G156-N159 WeakPolarHBondContact O-CB 3.32Å; G156-N159 PolarHBondContact O-N 3.44Å; G156-N159 VanDerWaalsContact O-N 3.13Å; R157-N159 VanDerWaalsContact C-N 3.29Å; R157-N159 PolarHBondContact O-N 3.14Å; N159-L162 PolarHBondContact O-N 3.02Å; N159-F163 WeakPolarHBondContact O-CB 3.43Å; N159-F163 PolarHBondContact O-N 3.19Å
160	D	69.1	Low	70.8	Confident	85 Å²	85	51.5 Å²	51.5	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-49	177.5	-66.8	-20.7	0	0	0	110.8	G156 R157 L162 F163 E164	G156-D160 PolarHBondContact O-N 2.79Å; R157-D160 PolarHBondContact O-N 2.54Å; R157-D160 VanDerWaalsContact O-N 3.17Å; D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 3.24Å; D160-F163 WeakPolarHBondContact O-CB 3.28Å; D160-F163 PolarHBondContact O-N 3.45Å; D160-E164 PolarHBondContact O-N 2.89Å
161	H	73.1	Confident	69.2	Low	46 Å²	46	48 Å²	48	21%	0.213	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-34.7	175.8	-62.7	142.4	0	0	0	112.4	L27 I30 L31 D34 R157 E164 H165	L27-H161 HydrophobicContact CD2-CB 4.35Å; I30-H161 VanDerWaalsContact CG2-CE1 3.41Å; I30-H161 WeakPolarHBondContact CG2-CE1 3.15Å; I30-H161 VanDerWaalsContact CG2-ND1 3.3Å; I30-H161 WeakPolarHBondContact CG2-ND1 3.41Å; L31-H161 HydrophobicContact CD2-CB 3.85Å; L31-H161 HydrophobicContact CG-CB 4.27Å; D34-H161 IonicContact OD2-CE1 2.58Å; D34-H161 IonicContact OD2-CG 3.53Å; D34-H161 IonicContact OD2-ND1 2.81Å; D34-H161 PolarHBondContact OD2-ND1 3.19Å; R157-H161 PolarHBondContact O-N 2.92Å; R157-H161 PolarHBondContact O-ND1 3.31Å; H161-E164 PolarHBondContact O-N 2.88Å; H161-H165 VanDerWaalsContact O-CB 3.24Å; H161-H165 WeakPolarHBondContact O-CB 3.46Å; H161-H165 PolarHBondContact O-N 3.43Å
162	L	65.3	Low	67.8	Low	40 Å²	40	47.7 Å²	47.7	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-69.9	-37.8	177.4	-173.1	64.6	0	0	0	111.5	L31 Y158 N159 D160 G166 I196	L31-L162 HydrophobicContact CD1-CD1 4.27Å; L31-L162 HydrophobicContact CD2-CB 4.03Å; L31-L162 HydrophobicContact CD2-CD1 4.4Å; Y158-L162 HydrophobicContact CE1-CD2 4.01Å; Y158-L162 WeakPolarHBondContact O-CB 3.25Å; Y158-L162 PolarHBondContact O-N 3.45Å; N159-L162 PolarHBondContact O-N 3.02Å; D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 3.24Å; L162-G166 PolarHBondContact O-N 2.97Å; L162-I196 HydrophobicContact CD2-CD1 3.58Å; L162-I196 HydrophobicContact CD2-CG1 4.08Å
163	F	63.8	Low	66.9	Low	62 Å²	62	50.8 Å²	50.8	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-48.4	173.1	176.1	-105.5	0	0	0	111	L86 F107 F111 N159 D160 H165 G166 L167	L86-F163 HydrophobicContact CD2-CE2 4.28Å; L86-F163 HydrophobicContact CD2-CZ 3.87Å; F107-F163 HydrophobicContact CD2-CE2 4.34Å; F107-F163 HydrophobicContact CD2-CZ 4.39Å; F107-F163 HydrophobicContact CE2-CZ 4.25Å; F111-F163 HydrophobicContact CD2-CE2 4.39Å; F111-F163 AromaticContact CE2-CD2 3.67Å; F111-F163 HydrophobicContact CE2-CD2 3.67Å; F111-F163 AromaticContact CE2-CE2 3.55Å; F111-F163 HydrophobicContact CE2-CE2 3.55Å; F111-F163 AromaticContact CZ-CD2 3.53Å; F111-F163 HydrophobicContact CZ-CD2 3.53Å; F111-F163 AromaticContact CZ-CE2 3.85Å; F111-F163 HydrophobicContact CZ-CE2 3.85Å; N159-F163 WeakPolarHBondContact O-CB 3.43Å; N159-F163 PolarHBondContact O-N 3.19Å; D160-F163 WeakPolarHBondContact O-CB 3.28Å; D160-F163 PolarHBondContact O-N 3.45Å; F163-H165 PolarHBondContact O-N 2.86Å; F163-G166 PolarHBondContact O-N 3.39Å; F163-G166 VanDerWaalsContact O-N 3.14Å; F163-L167 HydrophobicContact CD1-CD1 4Å; F163-L167 HydrophobicContact CE1-CD1 3.39Å; F163-L167 HydrophobicContact CE1-CG 4.14Å; F163-L167 HydrophobicContact CE2-CD1 4.4Å; F163-L167 HydrophobicContact CE2-CD2 4.45Å; F163-L167 HydrophobicContact CE2-CG 4.35Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CD2 4.24Å; F163-L167 HydrophobicContact CZ-CG 4.06Å; F163-L167 PolarHBondContact O-N 2.84Å
164	E	63.5	Low	65.7	Low	84 Å²	84	49.6 Å²	49.6	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-49	176.1	-172.7	-179.2	173.7	0	0	111.5	L27 D160 H161 G166 L167 I168	L27-E164 HydrophobicContact CD1-CB 4.4Å; L27-E164 HydrophobicContact CD1-CG 3.92Å; D160-E164 PolarHBondContact O-N 2.89Å; H161-E164 PolarHBondContact O-N 2.88Å; E164-G166 VanDerWaalsContact C-N 3.27Å; E164-G166 PolarHBondContact O-N 2.86Å; E164-L167 PolarHBondContact O-N 3.28Å; E164-L167 VanDerWaalsContact O-N 3.13Å; E164-I168 HydrophobicContact CG-CD1 3.88Å; E164-I168 HydrophobicContact CG-CG1 4.45Å; E164-I168 WeakPolarHBondContact O-CG1 3.22Å; E164-I168 PolarHBondContact O-N 3.37Å
165	H	68.5	Low	64.3	Low	38 Å²	38	50.8 Å²	50.8	18%	0.176	24%	0.243	C	C	.	.	H	α-helix	trans	-55.2	-44.3	174.9	175.8	-77.9	0	0	0	111.2	L27 L31 H161 F163 L167 I168 F169	L27-H165 HydrophobicContact CB-CB 4.46Å; L27-H165 HydrophobicContact CD1-CB 4.29Å; L31-H165 HydrophobicContact CD1-CB 4.08Å; H161-H165 VanDerWaalsContact O-CB 3.24Å; H161-H165 WeakPolarHBondContact O-CB 3.46Å; H161-H165 PolarHBondContact O-N 3.43Å; F163-H165 PolarHBondContact O-N 2.86Å; H165-L167 PolarHBondContact O-N 3.5Å; H165-I168 PolarHBondContact O-N 2.96Å; H165-F169 WeakPolarHBondContact O-CB 3.15Å; H165-F169 PolarHBondContact O-N 2.74Å
166	G	55.8	Low	63.5	Low	11 Å²	11	53.4 Å²	53.4	11%	0.113	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-44.9	176.6	0	0	0	0	0	113.2	L162 F163 E164 D170	L162-G166 PolarHBondContact O-N 2.97Å; F163-G166 PolarHBondContact O-N 3.39Å; F163-G166 VanDerWaalsContact O-N 3.14Å; E164-G166 VanDerWaalsContact C-N 3.27Å; E164-G166 PolarHBondContact O-N 2.86Å; G166-D170 WeakPolarHBondContact O-CB 3.35Å; G166-D170 PolarHBondContact O-N 3.37Å; G166-D170 VanDerWaalsContact O-N 3.07Å
167	L	57.6	Low	62.5	Low	87 Å²	87	57.8 Å²	57.8	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-47.4	178	-71.2	179.9	0	0	0	112.1	F163 E164 H165 D170 F171	F163-L167 HydrophobicContact CD1-CD1 4Å; F163-L167 HydrophobicContact CE1-CD1 3.39Å; F163-L167 HydrophobicContact CE1-CG 4.14Å; F163-L167 HydrophobicContact CE2-CD1 4.4Å; F163-L167 HydrophobicContact CE2-CD2 4.45Å; F163-L167 HydrophobicContact CE2-CG 4.35Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CD2 4.24Å; F163-L167 HydrophobicContact CZ-CG 4.06Å; F163-L167 PolarHBondContact O-N 2.84Å; E164-L167 PolarHBondContact O-N 3.28Å; E164-L167 VanDerWaalsContact O-N 3.13Å; H165-L167 PolarHBondContact O-N 3.5Å; L167-D170 PolarHBondContact O-N 2.87Å; L167-F171 PolarHBondContact O-N 2.87Å
168	I	58.8	Low	61	Low	31 Å²	31	57 Å²	57	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-39	-178.4	-59.5	175.2	0	0	0	110.4	A20 T23 L24 L27 E164 H165 D170 F171 V172	A20-I168 HydrophobicContact CB-CG2 3.92Å; T23-I168 HydrophobicContact CG2-CD1 3.56Å; L24-I168 HydrophobicContact CD1-CG2 4.15Å; L24-I168 HydrophobicContact CD2-CB 3.9Å; L24-I168 HydrophobicContact CD2-CG2 3.89Å; L24-I168 HydrophobicContact CG-CB 4.24Å; L24-I168 HydrophobicContact CG-CG2 3.64Å; L27-I168 HydrophobicContact CD1-CD1 3.73Å; E164-I168 HydrophobicContact CG-CD1 3.88Å; E164-I168 HydrophobicContact CG-CG1 4.45Å; E164-I168 WeakPolarHBondContact O-CG1 3.22Å; E164-I168 PolarHBondContact O-N 3.37Å; H165-I168 PolarHBondContact O-N 2.96Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 PolarHBondContact O-N 3.4Å; I168-F171 WeakPolarHBondContact O-CB 3.33Å; I168-F171 PolarHBondContact O-N 3.2Å; I168-V172 HydrophobicContact CG2-CG2 4.3Å; I168-V172 WeakPolarHBondContact O-CG2 3.29Å; I168-V172 PolarHBondContact O-N 2.83Å
169	F	60.7	Low	59.4	Low	50 Å²	50	59.5 Å²	59.5	22%	0.219	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-44.4	176.3	179.9	-93.6	0	0	0	111.4	L24 H165 F171 V172 K173 F190	L24-F169 HydrophobicContact CD2-CB 4.14Å; H165-F169 WeakPolarHBondContact O-CB 3.15Å; H165-F169 PolarHBondContact O-N 2.74Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 2.81Å; F169-V172 PolarHBondContact O-N 3.46Å; F169-K173 HydrophobicContact CE1-CD 3.99Å; F169-K173 HydrophobicContact CZ-CD 4.47Å; F169-K173 WeakPolarHBondContact O-CB 2.85Å; F169-K173 PolarHBondContact O-N 2.74Å; F169-F190 HydrophobicContact CE1-CB 4.41Å; F169-F190 HydrophobicContact CE2-CD2 4.26Å; F169-F190 HydrophobicContact CZ-CB 4.3Å; F169-F190 AromaticContact CZ-CD2 3.92Å; F169-F190 HydrophobicContact CZ-CD2 3.92Å; F169-F190 HydrophobicContact CZ-CG 4.44Å
170	D	54.7	Low	57.6	Low	53 Å²	53	62.4 Å²	62.4	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-38	175.9	-88.2	-4.3	0	0	0	112	G166 L167 I168 K174	G166-D170 WeakPolarHBondContact O-CB 3.35Å; G166-D170 PolarHBondContact O-N 3.37Å; G166-D170 VanDerWaalsContact O-N 3.07Å; L167-D170 PolarHBondContact O-N 2.87Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 PolarHBondContact O-N 3.4Å; D170-K174 VanDerWaalsContact O-CB 3.32Å; D170-K174 WeakPolarHBondContact O-CB 3.41Å; D170-K174 VanDerWaalsContact O-CG 3.25Å; D170-K174 WeakPolarHBondContact O-CG 3.48Å; D170-K174 PolarHBondContact O-N 3.28Å
171	F	53.9	Low	55.7	Low	54 Å²	54	67.8 Å²	67.8	24%	0.237	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-54.8	172.9	175.2	-99.7	0	0	0	111.5	I5 A20 L167 I168 F169 K173 K174 T175	I5-F171 HydrophobicContact CD1-CE2 4.41Å; A20-F171 HydrophobicContact CB-CD1 4.14Å; A20-F171 HydrophobicContact CB-CE1 4.25Å; L167-F171 PolarHBondContact O-N 2.87Å; I168-F171 WeakPolarHBondContact O-CB 3.33Å; I168-F171 PolarHBondContact O-N 3.2Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 2.81Å; F171-K173 VanDerWaalsContact C-N 3.3Å; F171-K173 PolarHBondContact O-N 2.86Å; F171-K174 PolarHBondContact O-N 3.46Å; F171-T175 WeakPolarHBondContact O-CB 3.4Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 2.84Å
172	V	61.1	Low	53.4	Low	9 Å²	9	73.7 Å²	73.7	6%	0.055	36%	0.358	C	S	.	.	H	α-helix	trans	-57.6	-44	179.4	170.4	0	0	0	0	110.9	L17 A20 E21 L24 I168 F169 T175 K176	L17-V172 HydrophobicContact CD1-CB 4.31Å; L17-V172 HydrophobicContact CD1-CG1 3.99Å; L17-V172 HydrophobicContact CD1-CG2 4.2Å; A20-V172 HydrophobicContact CB-CG2 3.58Å; E21-V172 HydrophobicContact CG-CG1 4.15Å; L24-V172 HydrophobicContact CD1-CB 4.11Å; L24-V172 HydrophobicContact CD1-CG1 4.43Å; L24-V172 HydrophobicContact CD1-CG2 3.73Å; I168-V172 HydrophobicContact CG2-CG2 4.3Å; I168-V172 WeakPolarHBondContact O-CG2 3.29Å; I168-V172 PolarHBondContact O-N 2.83Å; F169-V172 PolarHBondContact O-N 3.46Å; V172-T175 PolarHBondContact O-N 3.18Å; V172-K176 HydrophobicContact CG1-CD 4.1Å; V172-K176 HydrophobicContact CG1-CG 4.45Å; V172-K176 VanDerWaalsContact O-CB 3.31Å; V172-K176 WeakPolarHBondContact O-CB 3.31Å; V172-K176 WeakPolarHBondContact O-CG 3.34Å; V172-K176 PolarHBondContact O-N 3.33Å
173	K	60.5	Low	51.5	Low	77 Å²	77	77.4 Å²	77.4	34%	0.335	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-46.3	178.1	-175.9	175.8	-179.9	175.7	0	111.7	F169 F171 K176 Q177	F169-K173 HydrophobicContact CE1-CD 3.99Å; F169-K173 HydrophobicContact CZ-CD 4.47Å; F169-K173 WeakPolarHBondContact O-CB 2.85Å; F169-K173 PolarHBondContact O-N 2.74Å; F171-K173 VanDerWaalsContact C-N 3.3Å; F171-K173 PolarHBondContact O-N 2.86Å; K173-K176 PolarHBondContact O-N 3.05Å; K173-Q177 HydrophobicContact CG-CG 4.45Å; K173-Q177 WeakPolarHBondContact O-CB 3.45Å; K173-Q177 WeakPolarHBondContact O-CG 3.4Å; K173-Q177 PolarHBondContact O-N 3Å
174	K	56.6	Low	49.5	Very low	91 Å²	91	79.6 Å²	79.6	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-66	-38.9	178	-76.2	172.7	-176.1	165.8	0	112.2	L2 D170 F171 Q177 S178	L2-K174 VanDerWaalsContact CD1-NZ 3.33Å; D170-K174 VanDerWaalsContact O-CB 3.32Å; D170-K174 WeakPolarHBondContact O-CB 3.41Å; D170-K174 VanDerWaalsContact O-CG 3.25Å; D170-K174 WeakPolarHBondContact O-CG 3.48Å; D170-K174 PolarHBondContact O-N 3.28Å; F171-K174 PolarHBondContact O-N 3.46Å; K174-Q177 CarbonylContact O-C 3.06Å; K174-Q177 PolarHBondContact O-N 2.86Å; K174-S178 PolarHBondContact O-N 3.33Å; K174-S178 PolarHBondContact O-OG 2.79Å
175	T	55	Low	47.6	Very low	30 Å²	30	86.4 Å²	86.4	18%	0.184	42%	0.417	C	S	.	.	H	α-helix	trans	-71.7	-36.1	177.8	-56.4	0	0	0	0	111.8	L17 F171 V172 S178 K179	L17-T175 HydrophobicContact CD1-CG2 4.15Å; F171-T175 WeakPolarHBondContact O-CB 3.4Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 2.84Å; V172-T175 PolarHBondContact O-N 3.18Å; T175-S178 WeakPolarHBondContact CA-OG 3.46Å; T175-S178 PolarHBondContact O-OG 2.63Å; T175-K179 PolarHBondContact O-N 2.92Å
176	K	61	Low	45.4	Very low	90 Å²	90	93.6 Å²	93.6	39%	0.391	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-39.4	168	-75.8	-176.6	179.3	-179	0	111.6	L17 E21 V172 K173 K179 L180	L17-K176 HydrophobicContact CD1-CG 4.47Å; L17-K176 HydrophobicContact CD2-CG 4.44Å; E21-K176 WeakPolarHBondContact OE1-CE 3.2Å; E21-K176 IonicContact OE1-NZ 3.76Å; E21-K176 PolarHBondContact OE1-NZ 3.46Å; V172-K176 HydrophobicContact CG1-CD 4.1Å; V172-K176 HydrophobicContact CG1-CG 4.45Å; V172-K176 VanDerWaalsContact O-CB 3.31Å; V172-K176 WeakPolarHBondContact O-CB 3.31Å; V172-K176 WeakPolarHBondContact O-CG 3.34Å; V172-K176 PolarHBondContact O-N 3.33Å; K173-K176 PolarHBondContact O-N 3.05Å; K176-K179 CarbonylContact O-C 3.58Å; K176-K179 WeakPolarHBondContact O-CB 3.44Å; K176-K179 PolarHBondContact O-N 2.88Å; K176-L180 WeakPolarHBondContact O-CB 3.19Å; K176-L180 WeakPolarHBondContact O-CD1 3.44Å; K176-L180 PolarHBondContact O-N 3.34Å
177	Q	51.7	Low	43.8	Very low	97 Å²	97	100.4 Å²	100.4	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-71.3	-30.8	177.3	-79.7	179.4	-10.6	0	0	113.4	K173 K174 K179 L180 K181	K173-Q177 HydrophobicContact CG-CG 4.45Å; K173-Q177 WeakPolarHBondContact O-CB 3.45Å; K173-Q177 WeakPolarHBondContact O-CG 3.4Å; K173-Q177 PolarHBondContact O-N 3Å; K174-Q177 CarbonylContact O-C 3.06Å; K174-Q177 PolarHBondContact O-N 2.86Å; Q177-K179 VanDerWaalsContact C-N 3.27Å; Q177-L180 CarbonylContact O-C 3.57Å; Q177-L180 PolarHBondContact O-N 2.99Å; Q177-K181 PolarHBondContact O-N 3.32Å
178	S	47.4	Very low	42.3	Very low	83 Å²	83	103.3 Å²	103.3	58%	0.58	49%	0.493	S	S	*	.	H	α-helix	trans	-67.6	-33.4	171.8	61.5	0	0	0	0	110.6	K174 T175	K174-S178 PolarHBondContact O-N 3.33Å; K174-S178 PolarHBondContact O-OG 2.79Å; T175-S178 WeakPolarHBondContact CA-OG 3.46Å; T175-S178 PolarHBondContact O-OG 2.63Å
179	K	41.4	Very low	40.7	Very low	110 Å²	110	107.7 Å²	107.7	48%	0.478	52%	0.516	S	S	.	.	H	α-helix	trans	-69.7	-43	166	-70.5	-175.4	177	-179	0	112.7	T175 K176 Q177 K181 M182	T175-K179 PolarHBondContact O-N 2.92Å; K176-K179 CarbonylContact O-C 3.58Å; K176-K179 WeakPolarHBondContact O-CB 3.44Å; K176-K179 PolarHBondContact O-N 2.88Å; Q177-K179 VanDerWaalsContact C-N 3.27Å; K179-K181 VanDerWaalsContact C-N 3.34Å; K179-K181 PolarHBondContact O-N 3.27Å; K179-M182 VanDerWaalsContact O-CB 3.27Å; K179-M182 WeakPolarHBondContact O-CB 3.49Å; K179-M182 PolarHBondContact O-N 3.18Å; K179-M182 VanDerWaalsContact O-N 3.16Å
180	L	29.2	Very low	39	Very low	83 Å²	83	112 Å²	112	44%	0.435	54%	0.535	S	S	.	.	H	α-helix	trans	-79.3	-4.6	179.1	-98.9	95.4	0	0	0	114.6	K176 Q177 M182 I183 T184	K176-L180 WeakPolarHBondContact O-CB 3.19Å; K176-L180 WeakPolarHBondContact O-CD1 3.44Å; K176-L180 PolarHBondContact O-N 3.34Å; Q177-L180 CarbonylContact O-C 3.57Å; Q177-L180 PolarHBondContact O-N 2.99Å; L180-M182 PolarHBondContact O-N 3.33Å; L180-M182 VanDerWaalsContact O-N 3.14Å; L180-I183 WeakPolarHBondContact CD2-O 3.17Å; L180-I183 VanDerWaalsContact CG-O 3.3Å; L180-I183 WeakPolarHBondContact CG-O 3.27Å; L180-I183 CarbonylContact O-C 3.51Å; L180-I183 WeakPolarHBondContact O-CA 3.28Å; L180-I183 PolarHBondContact O-N 2.7Å; L180-T184 PolarHBondContact O-N 3.31Å
181	K	29.3	Very low	37.6	Very low	197 Å²	197	117 Å²	117	86%	0.857	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-7.9	161.5	-94.5	-171.7	174.9	-175.3	0	111.5	Q177 K179	Q177-K181 PolarHBondContact O-N 3.32Å; K179-K181 VanDerWaalsContact C-N 3.34Å; K179-K181 PolarHBondContact O-N 3.27Å
182	M	26.6	Very low	36.4	Very low	171 Å²	171	116 Å²	116	84%	0.842	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-19.6	162.1	-146.6	175.5	-76	0	0	113.6	K179 L180	K179-M182 VanDerWaalsContact O-CB 3.27Å; K179-M182 WeakPolarHBondContact O-CB 3.49Å; K179-M182 PolarHBondContact O-N 3.18Å; K179-M182 VanDerWaalsContact O-N 3.16Å; L180-M182 PolarHBondContact O-N 3.33Å; L180-M182 VanDerWaalsContact O-N 3.14Å
183	I	23.7	Very low	35.1	Very low	118 Å²	118	118.7 Å²	118.7	61%	0.605	58%	0.577	S	S	*	*	S	Bend	trans	-151	92.1	-178	-52.9	-179	0	0	0	111.2	L180	L180-I183 WeakPolarHBondContact CD2-O 3.17Å; L180-I183 VanDerWaalsContact CG-O 3.3Å; L180-I183 WeakPolarHBondContact CG-O 3.27Å; L180-I183 CarbonylContact O-C 3.51Å; L180-I183 WeakPolarHBondContact O-CA 3.28Å; L180-I183 PolarHBondContact O-N 2.7Å
184	T	23	Very low	34	Very low	107 Å²	107	122.2 Å²	122.2	66%	0.656	59%	0.588	S	S	*	*			trans	41.1	117.3	141.2	-33.8	0	0	0	0	121.7	L180	L180-T184 PolarHBondContact O-N 3.31Å
185	R	23.8	Very low	33.2	Very low	227 Å²	227	119.8 Å²	119.8	86%	0.857	58%	0.582	S	S	*	*			trans	29.8	106.5	147.3	-64	176.3	175.3	174.2	-0.6	118.4
186	F	22	Very low	32.5	Very low	189 Å²	189	121.5 Å²	121.5	83%	0.829	59%	0.589	S	S	*	*			trans	-129.3	117.6	148	-98.5	-85.2	0	0	0	111.7
187	H	22.8	Very low	31.3	Very low	154 Å²	154	125.4 Å²	125.4	71%	0.713	61%	0.606	S	S	*	*			trans	-88.9	150.7	179	-115	69.2	0	0	0	110.1
188	N	25.2	Very low	30.5	Very low	149 Å²	149	124.5 Å²	124.5	80%	0.797	60%	0.602	S	S	*	*			trans	82.9	7.2	151.6	-64.4	-15.9	0	0	0	122.9
189	I	24.3	Very low	29.7	Very low	123 Å²	123	129.2 Å²	129.2	63%	0.631	61%	0.614	S	S	*	*	S	Bend	trans	-97.9	113.5	171.8	-58.9	171.1	0	0	0	109.7
190	F	25	Very low	29.2	Very low	140 Å²	140	135.7 Å²	135.7	61%	0.614	65%	0.649	S	S	*	*			trans	65.3	97.3	-175.4	-56.9	-77	0	0	0	115	F169 G192	F169-F190 HydrophobicContact CE1-CB 4.41Å; F169-F190 HydrophobicContact CE2-CD2 4.26Å; F169-F190 HydrophobicContact CZ-CB 4.3Å; F169-F190 AromaticContact CZ-CD2 3.92Å; F169-F190 HydrophobicContact CZ-CD2 3.92Å; F169-F190 HydrophobicContact CZ-CG 4.44Å; F190-G192 PolarHBondContact O-N 2.91Å
191	K	25.9	Very low	29.2	Very low	157 Å²	157	138.3 Å²	138.3	68%	0.683	66%	0.66	S	S	*	*			trans	-45.8	104.2	138.1	-70.7	174.9	177.6	175.6	0	105.1	R194	K191-R194 HydrophobicContact CB-CG 4.37Å
192	G	29.6	Very low	29.2	Very low	34 Å²	34	135.2 Å²	135.2	35%	0.351	65%	0.65	S	S	.	*			trans	-47.9	157	176.4	0	0	0	0	0	109.7	F190 R194	F190-G192 PolarHBondContact O-N 2.91Å; G192-R194 VanDerWaalsContact C-N 3.34Å; G192-R194 PolarHBondContact O-N 2.76Å
193	P	33.7	Very low	29.3	Very low	65 Å²	65	133.2 Å²	133.2	42%	0.422	64%	0.639	S	S	.	*			trans	-45.3	101.8	-165.9	17.6	-30.4	0	0	0	108.8	C195	P193-C195 VanDerWaalsContact C-N 3.29Å; P193-C195 PolarHBondContact O-N 2.86Å
194	R	37.2	Very low	29.6	Very low	152 Å²	152	134.1 Å²	134.1	57%	0.574	64%	0.641	S	S	*	*			trans	-61.5	104.9	178.3	-74.1	-173.7	-127.4	-179.6	6	102.1	K191 G192 I196 K197	K191-R194 HydrophobicContact CB-CG 4.37Å; G192-R194 VanDerWaalsContact C-N 3.34Å; G192-R194 PolarHBondContact O-N 2.76Å; R194-I196 WeakPolarHBondContact O-CA 3.3Å; R194-I196 PolarHBondContact O-N 3.14Å; R194-K197 PolarHBondContact O-N 3Å
195	C	39	Very low	30.1	Very low	39 Å²	39	135.8 Å²	135.8	26%	0.264	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-25.5	99	-166.8	-59.9	0	0	0	0	109.6	C110 K114 P193 K197	C110-C195 WeakPolarHBondContact CA-SG 3.38Å; C110-C195 HydrophobicContact CB-CB 3.68Å; C110-C195 WeakPolarHBondContact CB-SG 3.13Å; C110-C195 WeakPolarHBondContact SG-CA 3.38Å; C110-C195 WeakPolarHBondContact SG-CB 3.08Å; C110-C195 CovalentContact SG-SG 2.05Å; C110-C195 PolarHBondContact SG-SG 2.9Å; K114-C195 PolarHBondContact NZ-O 2.89Å; K114-C195 VanDerWaalsContact NZ-O 3.14Å; P193-C195 VanDerWaalsContact C-N 3.29Å; P193-C195 PolarHBondContact O-N 2.86Å; C195-K197 PolarHBondContact O-N 3.16Å
196	I	40	Very low	30.5	Very low	67 Å²	67	129.7 Å²	129.7	34%	0.344	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-27.7	107.7	-154	-59.9	169.6	0	0	0	107.6	K114 L162 R194 H198	K114-I196 PolarHBondContact NZ-O 3.36Å; K114-I196 VanDerWaalsContact NZ-O 3.09Å; L162-I196 HydrophobicContact CD2-CD1 3.58Å; L162-I196 HydrophobicContact CD2-CG1 4.08Å; R194-I196 WeakPolarHBondContact O-CA 3.3Å; R194-I196 PolarHBondContact O-N 3.14Å; I196-H198 PolarHBondContact O-N 3.45Å
197	K	35.7	Very low	31.1	Very low	171 Å²	171	125.5 Å²	125.5	74%	0.743	61%	0.611	S	S	*	*			trans	-62.2	79.5	172.6	-83.1	-169.3	173.3	-165.4	0	104.8	R194 C195 E199	R194-K197 PolarHBondContact O-N 3Å; C195-K197 PolarHBondContact O-N 3.16Å; K197-E199 PolarHBondContact O-N 3.4Å
198	H	36.5	Very low	31.7	Very low	79 Å²	79	123.3 Å²	123.3	37%	0.366	60%	0.603	S	S	.	*			trans	-60.3	101.4	151.3	-81.5	-60.1	0	0	0	102.8	I196 M200	I196-H198 PolarHBondContact O-N 3.45Å; H198-M200 PolarHBondContact O-N 2.77Å; H198-M200 VanDerWaalsContact O-N 3.1Å
199	E	29.4	Very low	32.3	Very low	181 Å²	181	121.2 Å²	121.2	85%	0.846	59%	0.587	S	S	*	*			trans	-38.1	116.6	147	-67.9	173.5	161.2	0	0	105.6	K197	K197-E199 PolarHBondContact O-N 3.4Å
200	M	30.9	Very low	33	Very low	246 Å²	246	121 Å²	121	100%	1.212	58%	0.583	S	S	*	*			trans	-65.4	0	-176.9	-71.1	176.2	68.4	0	0	109.1	H198	H198-M200 PolarHBondContact O-N 2.77Å; H198-M200 VanDerWaalsContact O-N 3.1Å

Retrieved 200 of 200 residues in 178.6 ms (Link to these results)

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