A0A077ZGP6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZGP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 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	32.7	Very low	50.1	Low	234 Å²	234	127.9 Å²	127.9	100%	1.153	68%	0.68	S	S	*	*				0	110	0	-100.8	177.7	156.3	0	0	107.7	K3	M1-K3 PolarHBondContact O-N 3.2Å
2	V	30.7	Very low	50.4	Low	87 Å²	87	127.8 Å²	127.8	53%	0.527	69%	0.688	S	S	.	*			trans	-73.8	117.8	169.9	-178.8	0	0	0	0	106.8	F4	V2-F4 HydrophobicContact CG1-CE2 4.49Å
3	K	38.7	Very low	50.7	Low	193 Å²	193	129.5 Å²	129.5	84%	0.839	69%	0.689	S	S	*	*			trans	-94.1	109	172.1	-77.2	-176	177.1	179.6	0	107.1	M1	M1-K3 PolarHBondContact O-N 3.2Å
4	F	37.3	Very low	50.6	Low	119 Å²	119	124.3 Å²	124.3	52%	0.522	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-66.6	136.3	167.5	-73.1	-78.9	0	0	0	109	V2 F14 D22	V2-F4 HydrophobicContact CG1-CE2 4.49Å; F4-F14 HydrophobicContact CB-CZ 4.06Å; F4-F14 HydrophobicContact CD1-CZ 4.4Å; F4-F14 HydrophobicContact CG-CZ 4.47Å; F4-D22 WeakPolarHBondContact CD1-OD2 3.41Å; F4-D22 HydrophobicContact CE1-CB 4.03Å; F4-D22 VanDerWaalsContact CE1-OD2 3.27Å; F4-D22 WeakPolarHBondContact CE1-OD2 3.36Å
5	P	45.3	Very low	51.6	Low	76 Å²	76	120.3 Å²	120.3	49%	0.494	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-59.6	145.7	169	25.6	-31.3	0	0	0	109.2
6	P	55	Low	51.7	Low	123 Å²	123	122 Å²	122	80%	0.799	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.1	143.3	173.7	25.5	-32.9	0	0	0	109.9
7	L	50.6	Low	52.4	Low	70 Å²	70	124 Å²	124	37%	0.366	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-57	140	169.9	-73.4	166.5	0	0	0	109.2	Q11 F14	L7-Q11 HydrophobicContact CB-CB 4.36Å; L7-Q11 HydrophobicContact CD2-CB 4.3Å; L7-Q11 HydrophobicContact CD2-CG 4.27Å; L7-F14 HydrophobicContact CD2-CD1 3.94Å; L7-F14 HydrophobicContact CD2-CD2 4.1Å; L7-F14 HydrophobicContact CD2-CE1 3.93Å; L7-F14 HydrophobicContact CD2-CE2 4.08Å; L7-F14 HydrophobicContact CD2-CG 4.03Å; L7-F14 HydrophobicContact CD2-CZ 3.99Å; L7-F14 HydrophobicContact CG-CE1 4.45Å; L7-F14 HydrophobicContact CG-CE2 4.24Å; L7-F14 HydrophobicContact CG-CZ 4.11Å
8	K	72.7	Confident	52.7	Low	159 Å²	159	120.8 Å²	120.8	69%	0.691	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-63.7	150	173.3	-67.6	-179.6	-179.6	176.8	0	109.2	G10 Q11	K8-G10 PolarHBondContact O-N 3.46Å; K8-G10 VanDerWaalsContact O-N 3.15Å; K8-Q11 HydrophobicContact CB-CB 4.42Å; K8-Q11 VanDerWaalsContact O-CB 3.24Å; K8-Q11 WeakPolarHBondContact O-CB 3.21Å; K8-Q11 PolarHBondContact O-N 3.27Å
9	E	58.2	Low	52.4	Low	209 Å²	209	119.4 Å²	119.4	98%	0.977	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	121.9	177.8	-144.2	172.7	-167.7	0	0	109.9
10	G	69	Low	52.4	Low	83 Å²	83	118.8 Å²	118.8	86%	0.856	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	91	-3.8	-175.3	0	0	0	0	0	116.1	K8	K8-G10 PolarHBondContact O-N 3.46Å; K8-G10 VanDerWaalsContact O-N 3.15Å
11	Q	60.3	Low	52.6	Low	54 Å²	54	116.2 Å²	116.2	25%	0.252	61%	0.61	S	S	.	*			trans	-91.8	116.8	175.1	-149.5	-175.5	-15.5	0	0	109.6	L7 K8 E13 Q18	L7-Q11 HydrophobicContact CB-CB 4.36Å; L7-Q11 HydrophobicContact CD2-CB 4.3Å; L7-Q11 HydrophobicContact CD2-CG 4.27Å; K8-Q11 HydrophobicContact CB-CB 4.42Å; K8-Q11 VanDerWaalsContact O-CB 3.24Å; K8-Q11 WeakPolarHBondContact O-CB 3.21Å; K8-Q11 PolarHBondContact O-N 3.27Å; Q11-E13 WeakPolarHBondContact CG-O 3.4Å; Q11-E13 PolarHBondContact NE2-O 2.89Å; Q11-E13 VanDerWaalsContact NE2-O 3.12Å; Q11-Q18 VanDerWaalsContact NE2-OE1 3.15Å
12	T	53.7	Low	53.6	Low	127 Å²	127	107.6 Å²	107.6	78%	0.779	57%	0.569	S	S	*	*			trans	-88.8	-18.1	-179.6	49	0	0	0	0	113.3
13	E	55.2	Low	54.2	Low	150 Å²	150	109.2 Å²	109.2	70%	0.701	57%	0.574	S	S	*	*	S	Bend	trans	-148.3	151	-173.7	-60.2	-177.7	175.6	0	0	110.8	Q11	Q11-E13 WeakPolarHBondContact CG-O 3.4Å; Q11-E13 PolarHBondContact NE2-O 2.89Å; Q11-E13 VanDerWaalsContact NE2-O 3.12Å
14	F	48.8	Very low	55	Low	56 Å²	56	105.9 Å²	105.9	25%	0.246	56%	0.561	C	S	.	*			trans	-71.9	140.2	169.1	-69.2	-81.3	0	0	0	109.3	F4 L7 Q18 M19	F4-F14 HydrophobicContact CB-CZ 4.06Å; F4-F14 HydrophobicContact CD1-CZ 4.4Å; F4-F14 HydrophobicContact CG-CZ 4.47Å; L7-F14 HydrophobicContact CD2-CD1 3.94Å; L7-F14 HydrophobicContact CD2-CD2 4.1Å; L7-F14 HydrophobicContact CD2-CE1 3.93Å; L7-F14 HydrophobicContact CD2-CE2 4.08Å; L7-F14 HydrophobicContact CD2-CG 4.03Å; L7-F14 HydrophobicContact CD2-CZ 3.99Å; L7-F14 HydrophobicContact CG-CE1 4.45Å; L7-F14 HydrophobicContact CG-CE2 4.24Å; L7-F14 HydrophobicContact CG-CZ 4.11Å; F14-Q18 HydrophobicContact CB-CB 4.34Å; F14-Q18 HydrophobicContact CD1-CB 4.36Å; F14-M19 HydrophobicContact CB-CG 3.92Å
15	T	65.3	Low	55.5	Low	64 Å²	64	102 Å²	102	39%	0.393	56%	0.556	S	S	.	*			trans	-69.3	154.7	172.8	57.6	0	0	0	0	110.6	E17 Q18 M19	T15-E17 PolarHBondContact O-N 3.36Å; T15-Q18 VanDerWaalsContact N-OE1 3.12Å; T15-Q18 WeakPolarHBondContact O-CB 3.42Å; T15-Q18 PolarHBondContact O-N 3.19Å; T15-Q18 VanDerWaalsContact OG1-CG 3.26Å; T15-Q18 WeakPolarHBondContact OG1-CG 2.97Å; T15-Q18 PolarHBondContact OG1-N 3.33Å; T15-M19 PolarHBondContact O-N 2.99Å
16	E	52.9	Low	55.8	Low	148 Å²	148	100 Å²	100	69%	0.692	54%	0.543	S	S	*	.	H	α-helix	trans	-53.4	-41.4	176	-166.4	167.1	-166.2	0	0	111.4	Q18 M19 E20	E16-Q18 PolarHBondContact O-N 2.72Å; E16-M19 PolarHBondContact O-N 3.32Å; E16-E20 PolarHBondContact O-N 2.95Å
17	E	64.8	Low	55.4	Low	156 Å²	156	98 Å²	98	73%	0.729	52%	0.523	S	S	*	.	H	α-helix	trans	-60.2	-37.7	173.7	-64.9	172.6	164.1	0	0	113.6	T15 A21	T15-E17 PolarHBondContact O-N 3.36Å; E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 2.9Å; E17-A21 VanDerWaalsContact O-N 3.1Å
18	Q	57.6	Low	55.5	Low	67 Å²	67	97.6 Å²	97.6	31%	0.313	53%	0.53	S	S	.	.	H	α-helix	trans	-69.5	-38.6	176.7	-77.3	171.9	-20.2	0	0	111.3	Q11 F14 T15 E16 D22	Q11-Q18 VanDerWaalsContact NE2-OE1 3.15Å; F14-Q18 HydrophobicContact CB-CB 4.34Å; F14-Q18 HydrophobicContact CD1-CB 4.36Å; T15-Q18 VanDerWaalsContact N-OE1 3.12Å; T15-Q18 WeakPolarHBondContact O-CB 3.42Å; T15-Q18 PolarHBondContact O-N 3.19Å; T15-Q18 VanDerWaalsContact OG1-CG 3.26Å; T15-Q18 WeakPolarHBondContact OG1-CG 2.97Å; T15-Q18 PolarHBondContact OG1-N 3.33Å; E16-Q18 PolarHBondContact O-N 2.72Å; Q18-D22 PolarHBondContact O-N 3.15Å
19	M	46.7	Very low	54.3	Low	94 Å²	94	94.4 Å²	94.4	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-68.6	-41.1	177.1	-67.2	-173.4	-72.1	0	0	111.7	F14 T15 E16 D22 L23	F14-M19 HydrophobicContact CB-CG 3.92Å; T15-M19 PolarHBondContact O-N 2.99Å; E16-M19 PolarHBondContact O-N 3.32Å; M19-D22 PolarHBondContact O-N 3.08Å; M19-L23 WeakPolarHBondContact O-CB 3.48Å; M19-L23 WeakPolarHBondContact O-CD1 3.48Å; M19-L23 PolarHBondContact O-N 3.02Å
20	E	53.3	Low	53.4	Low	107 Å²	107	90 Å²	90	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-44.2	176.3	-77	-173.5	160	0	0	112.4	E16 D22 L23 H24	E16-E20 PolarHBondContact O-N 2.95Å; E20-D22 VanDerWaalsContact C-N 3.31Å; E20-D22 PolarHBondContact O-N 3.4Å; E20-L23 PolarHBondContact O-N 3.34Å; E20-H24 PolarHBondContact O-CD2 3.44Å; E20-H24 PolarHBondContact O-N 2.99Å
21	A	55.3	Low	52.3	Low	64 Å²	64	94.7 Å²	94.7	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-60.1	-40.8	177.5	0	0	0	0	0	112.4	E17 G25	E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 2.9Å; E17-A21 VanDerWaalsContact O-N 3.1Å; A21-G25 PolarHBondContact O-N 3.35Å
22	D	53.3	Low	51.8	Low	53 Å²	53	95.7 Å²	95.7	28%	0.283	51%	0.511	S	S	.	.	H	α-helix	trans	-75.3	-32	179.1	-79.8	-14.5	0	0	0	113	F4 Q18 M19 E20 G25 S26	F4-D22 WeakPolarHBondContact CD1-OD2 3.41Å; F4-D22 HydrophobicContact CE1-CB 4.03Å; F4-D22 VanDerWaalsContact CE1-OD2 3.27Å; F4-D22 WeakPolarHBondContact CE1-OD2 3.36Å; Q18-D22 PolarHBondContact O-N 3.15Å; M19-D22 PolarHBondContact O-N 3.08Å; E20-D22 VanDerWaalsContact C-N 3.31Å; E20-D22 PolarHBondContact O-N 3.4Å; D22-G25 PolarHBondContact O-N 3.32Å; D22-S26 VanDerWaalsContact O-CB 3.31Å; D22-S26 WeakPolarHBondContact O-CB 3.28Å; D22-S26 PolarHBondContact O-N 3.43Å; D22-S26 PolarHBondContact O-OG 2.97Å
23	L	44.5	Very low	51.2	Low	121 Å²	121	92.2 Å²	92.2	63%	0.634	50%	0.495	S	S	*	.	H	α-helix	trans	-61.3	-47.6	171.1	-93.8	153.4	0	0	0	110.7	M19 E20 G25 S26 E27	M19-L23 WeakPolarHBondContact O-CB 3.48Å; M19-L23 WeakPolarHBondContact O-CD1 3.48Å; M19-L23 PolarHBondContact O-N 3.02Å; E20-L23 PolarHBondContact O-N 3.34Å; L23-G25 PolarHBondContact O-N 3.16Å; L23-S26 PolarHBondContact O-N 3Å; L23-E27 WeakPolarHBondContact O-CB 3.26Å; L23-E27 PolarHBondContact O-N 2.77Å
24	H	54.7	Low	50.5	Low	123 Å²	123	90.7 Å²	90.7	57%	0.569	50%	0.496	S	S	*	.	H	α-helix	trans	-64.9	-38.6	176.5	-72.6	-56.1	0	0	0	112.8	E20 E27 A28	E20-H24 PolarHBondContact O-CD2 3.44Å; E20-H24 PolarHBondContact O-N 2.99Å; H24-E27 PolarHBondContact O-N 3.14Å; H24-A28 PolarHBondContact O-N 3.34Å; H24-A28 VanDerWaalsContact O-N 3.14Å
25	G	48.4	Very low	50.2	Low	39 Å²	39	91 Å²	91	40%	0.402	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-38.1	174.1	0	0	0	0	0	113.2	A21 D22 L23 T29	A21-G25 PolarHBondContact O-N 3.35Å; D22-G25 PolarHBondContact O-N 3.32Å; L23-G25 PolarHBondContact O-N 3.16Å; G25-T29 PolarHBondContact O-N 3Å; G25-T29 VanDerWaalsContact O-N 3.17Å; G25-T29 PolarHBondContact O-OG1 3.47Å
26	S	50.5	Low	49.3	Very low	32 Å²	32	95.7 Å²	95.7	22%	0.224	53%	0.532	C	S	.	.	H	α-helix	trans	-71.5	-35.6	177	-63.7	0	0	0	0	112	D22 L23 T29 L30	D22-S26 VanDerWaalsContact O-CB 3.31Å; D22-S26 WeakPolarHBondContact O-CB 3.28Å; D22-S26 PolarHBondContact O-N 3.43Å; D22-S26 PolarHBondContact O-OG 2.97Å; L23-S26 PolarHBondContact O-N 3Å; S26-T29 PolarHBondContact O-N 2.79Å; S26-L30 WeakPolarHBondContact O-CB 3.38Å; S26-L30 WeakPolarHBondContact O-CG 3.41Å; S26-L30 PolarHBondContact O-N 2.88Å
27	E	47.5	Very low	48.7	Very low	83 Å²	83	97.1 Å²	97.1	39%	0.388	54%	0.539	S	S	.	.	H	α-helix	trans	-63.9	-44.5	175.2	-161.6	-170	162.8	0	0	111.6	L23 H24 T29 L30 R31	L23-E27 WeakPolarHBondContact O-CB 3.26Å; L23-E27 PolarHBondContact O-N 2.77Å; H24-E27 PolarHBondContact O-N 3.14Å; E27-T29 VanDerWaalsContact C-N 3.3Å; E27-T29 PolarHBondContact O-N 3.26Å; E27-L30 PolarHBondContact O-N 3.15Å; E27-R31 WeakPolarHBondContact O-CG 3.24Å; E27-R31 PolarHBondContact O-N 3.46Å; E27-R31 IonicContact OE1-CZ 2.59Å; E27-R31 IonicContact OE1-NE 3.41Å; E27-R31 PolarHBondContact OE1-NE 3.31Å; E27-R31 IonicContact OE1-NH2 3.75Å; E27-R31 PolarHBondContact OE1-NH2 3.12Å
28	A	52.4	Low	47.5	Very low	61 Å²	61	94.9 Å²	94.9	50%	0.504	54%	0.54	S	S	.	.	H	α-helix	trans	-60.7	-39.6	174.2	0	0	0	0	0	112.1	H24 R31 S32	H24-A28 PolarHBondContact O-N 3.34Å; H24-A28 VanDerWaalsContact O-N 3.14Å; A28-R31 PolarHBondContact O-N 3.3Å; A28-S32 PolarHBondContact O-N 3.25Å
29	T	48.3	Very low	46.4	Very low	92 Å²	92	100.9 Å²	100.9	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-68	-41.1	177.8	-54.5	0	0	0	0	111.9	G25 S26 E27 S32 A33	G25-T29 PolarHBondContact O-N 3Å; G25-T29 VanDerWaalsContact O-N 3.17Å; G25-T29 PolarHBondContact O-OG1 3.47Å; S26-T29 PolarHBondContact O-N 2.79Å; E27-T29 VanDerWaalsContact C-N 3.3Å; E27-T29 PolarHBondContact O-N 3.26Å; T29-S32 PolarHBondContact O-N 3.49Å; T29-A33 PolarHBondContact O-N 2.86Å
30	L	39.6	Very low	45.7	Very low	116 Å²	116	100 Å²	100	61%	0.607	58%	0.584	S	S	*	*	H	α-helix	trans	-66.3	-41.4	176.2	-76	168.4	0	0	0	111.6	S26 E27 S32 A33 V34	S26-L30 WeakPolarHBondContact O-CB 3.38Å; S26-L30 WeakPolarHBondContact O-CG 3.41Å; S26-L30 PolarHBondContact O-N 2.88Å; E27-L30 PolarHBondContact O-N 3.15Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 2.99Å; L30-A33 PolarHBondContact O-N 3.23Å; L30-V34 VanDerWaalsContact O-CG2 3.28Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 3.41Å
31	R	45.6	Very low	44.7	Very low	182 Å²	182	101.4 Å²	101.4	69%	0.687	60%	0.599	S	S	*	*	H	α-helix	trans	-61.8	-38	174.2	-71.7	-178.8	-175.9	-161.6	3.4	112.1	E27 A28 G35	E27-R31 WeakPolarHBondContact O-CG 3.24Å; E27-R31 PolarHBondContact O-N 3.46Å; E27-R31 IonicContact OE1-CZ 2.59Å; E27-R31 IonicContact OE1-NE 3.41Å; E27-R31 PolarHBondContact OE1-NE 3.31Å; E27-R31 IonicContact OE1-NH2 3.75Å; E27-R31 PolarHBondContact OE1-NH2 3.12Å; A28-R31 PolarHBondContact O-N 3.3Å; R31-G35 PolarHBondContact O-N 3.02Å
32	S	48.6	Very low	43.5	Very low	75 Å²	75	107.1 Å²	107.1	52%	0.524	62%	0.617	S	S	.	*	H	α-helix	trans	-67.7	-41.9	175.3	-122.2	0	0	0	0	112.8	A28 T29 L30 G35	A28-S32 PolarHBondContact O-N 3.25Å; T29-S32 PolarHBondContact O-N 3.49Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 2.99Å; S32-G35 PolarHBondContact O-N 3.4Å
33	A	41	Very low	42.6	Very low	54 Å²	54	110.7 Å²	110.7	45%	0.446	64%	0.641	S	S	.	*	H	α-helix	trans	-70.3	-32.4	-179.2	0	0	0	0	0	113.4	T29 L30 G35	T29-A33 PolarHBondContact O-N 2.86Å; L30-A33 PolarHBondContact O-N 3.23Å; A33-G35 VanDerWaalsContact C-N 3.32Å
34	V	41.6	Very low	41.9	Very low	118 Å²	118	110.9 Å²	110.9	72%	0.715	65%	0.649	S	S	*	*	H	α-helix	trans	-73.8	-24.4	176.6	175.6	0	0	0	0	111.8	L30	L30-V34 VanDerWaalsContact O-CG2 3.28Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 3.41Å
35	G	42.5	Very low	40.7	Very low	63 Å²	63	114 Å²	114	65%	0.649	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-6.4	178	0	0	0	0	0	116.2	R31 S32 A33	R31-G35 PolarHBondContact O-N 3.02Å; S32-G35 PolarHBondContact O-N 3.4Å; A33-G35 VanDerWaalsContact C-N 3.32Å
36	Q	45.3	Very low	39.9	Very low	162 Å²	162	119.1 Å²	119.1	76%	0.757	68%	0.682	S	S	*	*	S	Bend	trans	-115.9	5.1	-171.2	-73.9	-170.8	-34.6	0	0	115.8
37	Q	41.7	Very low	39.1	Very low	178 Å²	178	124.5 Å²	124.5	83%	0.832	71%	0.713	S	S	*	*			trans	-103.5	43.1	-178.4	-69.1	-163.1	-23.5	0	0	114.6
38	S	39.7	Very low	38.2	Very low	108 Å²	108	126.1 Å²	126.1	76%	0.755	73%	0.729	S	S	*	*			trans	-122.7	21.2	-177	-51.2	0	0	0	0	115.6
39	E	34.8	Very low	37.2	Very low	193 Å²	193	128.2 Å²	128.2	90%	0.902	74%	0.74	S	S	*	*	S	Bend	trans	-138.6	112.3	173	-71.8	-172	149.4	0	0	112.6
40	G	30.2	Very low	36.3	Very low	76 Å²	76	129.7 Å²	129.7	78%	0.784	75%	0.749	S	S	*	*			trans	80.6	89.6	144.8	0	0	0	0	0	119.2
41	V	32.4	Very low	35.9	Very low	136 Å²	136	131.4 Å²	131.4	82%	0.824	76%	0.757	S	S	*	*			trans	-142.5	115.8	149.3	-174.8	0	0	0	0	110
42	M	31.5	Very low	35.2	Very low	185 Å²	185	130.4 Å²	130.4	91%	0.911	77%	0.765	S	S	*	*			trans	-77.3	135.9	169.1	-61.1	-168	-46	0	0	110.1
43	V	33.6	Very low	34.2	Very low	128 Å²	128	134.5 Å²	134.5	78%	0.776	78%	0.781	S	S	*	*			trans	-117.3	128.4	171.7	-175.1	0	0	0	0	109.3
44	P	31	Very low	33.7	Very low	124 Å²	124	139.2 Å²	139.2	81%	0.805	80%	0.799	S	S	*	*			trans	-85	150.2	177.5	20.6	-9.6	0	0	0	113.5
45	Q	29.5	Very low	33	Very low	188 Å²	188	139.5 Å²	139.5	88%	0.879	80%	0.8	S	S	*	*			trans	-69.6	132.6	179.5	-66.2	174.3	-31.1	0	0	113.5
46	N	30.4	Very low	32.3	Very low	148 Å²	148	141.7 Å²	141.7	79%	0.791	81%	0.806	S	S	*	*			trans	151.7	117.8	135.2	-105.6	-20.6	0	0	0	108.9
47	V	34.6	Very low	31.5	Very low	144 Å²	144	138 Å²	138	87%	0.873	80%	0.798	S	S	*	*				-164.8	122.8	117.2	-179.9	0	0	0	0	107.7
48	T	28.2	Very low	30.7	Very low	117 Å²	117	141.4 Å²	141.4	72%	0.718	80%	0.803	S	S	*	*			trans	-78.1	131.7	174.8	-45.1	0	0	0	0	111.3
49	S	32.2	Very low	30.4	Very low	106 Å²	106	144 Å²	144	74%	0.741	80%	0.803	S	S	*	*			trans	-172.9	97.6	140.1	46.7	0	0	0	0	111.1
50	T	28.2	Very low	30	Very low	123 Å²	123	143.1 Å²	143.1	76%	0.755	80%	0.799	S	S	*	*			trans	23.2	120.6	130.8	-18.3	0	0	0	0	117.6
51	I	31.7	Very low	30	Very low	152 Å²	152	144.1 Å²	144.1	78%	0.779	80%	0.8	S	S	*	*				173.5	125.5	128	-85.4	154.9	0	0	0	108.3
52	L	31.5	Very low	30.1	Very low	160 Å²	160	143.7 Å²	143.7	84%	0.838	80%	0.798	S	S	*	*			trans	86.8	86.6	169.4	-62	159.1	0	0	0	118	D54	L52-D54 PolarHBondContact O-N 2.95Å
53	D	26.6	Very low	30.5	Very low	162 Å²	162	140.2 Å²	140.2	87%	0.866	78%	0.783	S	S	*	*			trans	-53.3	111.1	139.7	-77.9	-45.6	0	0	0	108.9
54	D	30	Very low	31.1	Very low	153 Å²	153	138 Å²	138	82%	0.818	77%	0.773	S	S	*	*			trans	-136	117.8	143.2	-150.9	-6.4	0	0	0	109.1	L52 S56	L52-D54 PolarHBondContact O-N 2.95Å; D54-S56 PolarHBondContact O-N 3.44Å
55	T	27.9	Very low	31.7	Very low	123 Å²	123	141.2 Å²	141.2	76%	0.755	77%	0.769	S	S	*	*			trans	-76.7	108.4	-175.7	39.9	0	0	0	0	110
56	S	28.2	Very low	32.5	Very low	110 Å²	110	134 Å²	134	77%	0.769	74%	0.739	S	S	*	*			trans	-150.7	110.8	149.1	-97.5	0	0	0	0	111.5	D54	D54-S56 PolarHBondContact O-N 3.44Å
57	S	28.9	Very low	33.6	Very low	83 Å²	83	130.3 Å²	130.3	58%	0.58	72%	0.722	S	S	*	*			trans	39.8	97	152.7	44.4	0	0	0	0	117.5	H59	S57-H59 VanDerWaalsContact C-N 3.28Å; S57-H59 PolarHBondContact O-N 2.88Å
58	R	24.8	Very low	34.7	Very low	251 Å²	251	128.9 Å²	128.9	95%	0.947	72%	0.715	S	S	*	*			trans	-48.7	96	140.8	-72.3	177.4	174.8	-175.2	-4.2	108.9
59	H	31.5	Very low	36.3	Very low	161 Å²	161	124.3 Å²	124.3	75%	0.745	69%	0.685	S	S	*	*			trans	-94.9	111.9	158.1	-81	-47.3	0	0	0	108	S57 A61	S57-H59 VanDerWaalsContact C-N 3.28Å; S57-H59 PolarHBondContact O-N 2.88Å; H59-A61 PolarHBondContact O-N 3.27Å
60	E	26.4	Very low	38.2	Very low	175 Å²	175	121 Å²	121	82%	0.818	66%	0.661	S	S	*	*			trans	-53.2	99.9	161.5	-69.3	173.9	147.1	0	0	108.6	T62	E60-T62 PolarHBondContact O-N 2.88Å
61	A	31.7	Very low	40.5	Very low	98 Å²	98	117.5 Å²	117.5	81%	0.81	64%	0.64	S	S	*	*			trans	-81	73	170.6	0	0	0	0	0	109.1	H59	H59-A61 PolarHBondContact O-N 3.27Å
62	T	34.5	Very low	42.7	Very low	126 Å²	126	110.3 Å²	110.3	77%	0.773	60%	0.603	S	S	*	*			trans	-96.9	12.9	176.6	40.6	0	0	0	0	113.8	E60	E60-T62 PolarHBondContact O-N 2.88Å
63	D	39.6	Very low	44.8	Very low	112 Å²	112	108.5 Å²	108.5	60%	0.599	59%	0.594	S	S	*	*			trans	-115.9	89.5	167.9	-147.8	-3.8	0	0	0	109.8	R65	D63-R65 PolarHBondContact O-N 3.31Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CD 3.35Å; D63-R65 WeakPolarHBondContact OD1-CG 3.47Å; D63-R65 IonicContact OD1-NE 2.73Å; D63-R65 PolarHBondContact OD1-NE 3.45Å
64	S	46.1	Very low	47.1	Very low	81 Å²	81	105.8 Å²	105.8	57%	0.566	58%	0.576	S	S	*	*			trans	-79	20.3	-177.6	52.9	0	0	0	0	113.6
65	R	42.5	Very low	49.2	Very low	193 Å²	193	99.1 Å²	99.1	73%	0.728	54%	0.541	S	S	*	.	B	Isolated β-bridge	trans	-71.1	131.8	176.9	-67.5	178	-164.5	-160.7	-0.4	109.7	D63 V67	D63-R65 PolarHBondContact O-N 3.31Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CD 3.35Å; D63-R65 WeakPolarHBondContact OD1-CG 3.47Å; D63-R65 IonicContact OD1-NE 2.73Å; D63-R65 PolarHBondContact OD1-NE 3.45Å; R65-V67 PolarHBondContact O-N 2.91Å
66	C	47.7	Very low	51.4	Low	36 Å²	36	93.8 Å²	93.8	24%	0.243	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-62.4	134	177.2	-159.9	0	0	0	0	110.3	A104	C66-A104 PolarHBondContact SG-O 3.44Å; C66-A104 VanDerWaalsContact SG-O 3.32Å
67	V	52	Low	53.6	Low	71 Å²	71	95.8 Å²	95.8	43%	0.43	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-73.2	131.8	162.8	-167.8	0	0	0	0	106.5	R65 F69 P216	R65-V67 PolarHBondContact O-N 2.91Å; V67-F69 PolarHBondContact O-N 2.91Å; V67-P216 HydrophobicContact CB-CB 3.9Å; V67-P216 HydrophobicContact CB-CG 3.52Å; V67-P216 HydrophobicContact CG1-CB 4.01Å; V67-P216 HydrophobicContact CG1-CG 3.41Å; V67-P216 VanDerWaalsContact CG1-CG 3.41Å; V67-P216 HydrophobicContact CG2-CB 3.92Å; V67-P216 HydrophobicContact CG2-CG 4.12Å
68	P	58.7	Low	55.6	Low	114 Å²	114	95.5 Å²	95.5	74%	0.74	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-56.7	119.2	-171.1	20.1	-32.6	0	0	0	110.9
69	F	62.3	Low	57.7	Low	21 Å²	21	84 Å²	84	9%	0.092	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-72.3	135.3	168.7	-168.7	-99.3	0	0	0	108.1	V67 I75 L98 A101 E102 L110 I114 L118 L214	V67-F69 PolarHBondContact O-N 2.91Å; F69-I75 HydrophobicContact CD1-CD1 4.16Å; F69-I75 HydrophobicContact CE1-CD1 3.36Å; F69-I75 HydrophobicContact CZ-CD1 3.71Å; F69-L98 HydrophobicContact CE1-CD2 4.16Å; F69-L98 HydrophobicContact CZ-CD2 4.12Å; F69-A101 HydrophobicContact CD1-CB 3.7Å; F69-A101 HydrophobicContact CD2-CB 4.17Å; F69-A101 HydrophobicContact CE1-CB 3.39Å; F69-A101 HydrophobicContact CE2-CB 3.83Å; F69-A101 HydrophobicContact CG-CB 4.09Å; F69-A101 HydrophobicContact CZ-CB 3.46Å; F69-A101 VanDerWaalsContact CZ-CB 3.46Å; F69-E102 HydrophobicContact CD1-CB 4.48Å; F69-L110 HydrophobicContact CB-CD1 4.31Å; F69-L110 HydrophobicContact CB-CD2 4.46Å; F69-L110 HydrophobicContact CD2-CD1 3.54Å; F69-L110 HydrophobicContact CD2-CD2 4.19Å; F69-L110 HydrophobicContact CD2-CG 4.43Å; F69-L110 HydrophobicContact CE2-CD1 4Å; F69-L110 HydrophobicContact CG-CD1 4.06Å; F69-I114 HydrophobicContact CE2-CD1 4.19Å; F69-I114 HydrophobicContact CE2-CG1 4.38Å; F69-L118 HydrophobicContact CZ-CD2 4.37Å; F69-L214 HydrophobicContact CD2-CD2 3.61Å; F69-L214 HydrophobicContact CE2-CD2 3.19Å; F69-L214 HydrophobicContact CZ-CD2 4.05Å
70	P	70.5	Confident	59.5	Low	35 Å²	35	82.2 Å²	82.2	23%	0.227	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-56.7	147.5	176.8	-21.2	31	0	0	0	110.8	I75	P70-I75 HydrophobicContact CB-CD1 4.05Å; P70-I75 HydrophobicContact CB-CG1 3.93Å; P70-I75 HydrophobicContact CG-CD1 4.5Å
71	T	77.8	Confident	61.4	Low	51 Å²	51	80.5 Å²	80.5	31%	0.313	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61	145.8	-177.7	60.4	0	0	0	0	110.3	D73 E74 I75	T71-D73 PolarHBondContact O-N 3.44Å; T71-D73 VanDerWaalsContact O-N 3.15Å; T71-E74 PolarHBondContact N-OE2 3.48Å; T71-E74 PolarHBondContact O-N 3.12Å; T71-E74 WeakPolarHBondContact OG1-CB 3.46Å; T71-E74 WeakPolarHBondContact OG1-CG 3.41Å; T71-E74 PolarHBondContact OG1-N 2.9Å; T71-E74 PolarHBondContact OG1-OE2 2.61Å; T71-I75 PolarHBondContact O-N 3.48Å; T71-I75 VanDerWaalsContact O-N 3.12Å
72	A	78.4	Confident	63	Low	1 Å²	1	77.1 Å²	77.1	1%	0.008	41%	0.405	C	S	.	.	H	α-helix	trans	-55	-37.3	178.8	0	0	0	0	0	111.1	I75 M76 L95 L98 K99 E102	A72-I75 PolarHBondContact O-N 2.87Å; A72-M76 VanDerWaalsContact O-CB 3.28Å; A72-M76 WeakPolarHBondContact O-CB 3.36Å; A72-M76 WeakPolarHBondContact O-CG 3.48Å; A72-M76 PolarHBondContact O-N 3.37Å; A72-L95 HydrophobicContact CB-CD1 4.19Å; A72-L98 HydrophobicContact CB-CB 3.69Å; A72-K99 HydrophobicContact CB-CG 3.95Å; A72-E102 WeakPolarHBondContact CB-OE2 3.41Å; A72-E102 PolarHBondContact N-OE2 2.95Å
73	D	75.8	Confident	64.4	Low	122 Å²	122	77.9 Å²	77.9	65%	0.652	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-39	177.5	-77	-20.7	0	0	0	113.5	T71 M76 K77	T71-D73 PolarHBondContact O-N 3.44Å; T71-D73 VanDerWaalsContact O-N 3.15Å; D73-M76 PolarHBondContact O-N 3.39Å; D73-K77 VanDerWaalsContact O-CB 3.31Å; D73-K77 WeakPolarHBondContact O-CB 3.5Å; D73-K77 PolarHBondContact O-N 3.21Å
74	E	74.3	Confident	65.5	Low	104 Å²	104	74.1 Å²	74.1	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-48.8	174.6	-78.2	166.1	153.3	0	0	111	T71 M76 K77 H78	T71-E74 PolarHBondContact N-OE2 3.48Å; T71-E74 PolarHBondContact O-N 3.12Å; T71-E74 WeakPolarHBondContact OG1-CB 3.46Å; T71-E74 WeakPolarHBondContact OG1-CG 3.41Å; T71-E74 PolarHBondContact OG1-N 2.9Å; T71-E74 PolarHBondContact OG1-OE2 2.61Å; E74-M76 VanDerWaalsContact C-N 3.31Å; E74-M76 PolarHBondContact O-N 3.44Å; E74-K77 WeakPolarHBondContact O-CB 3.34Å; E74-K77 PolarHBondContact O-N 3.46Å; E74-H78 PolarHBondContact O-CD2 2.92Å; E74-H78 PolarHBondContact O-N 2.98Å
75	I	73	Confident	66.2	Low	14 Å²	14	71.9 Å²	71.9	7%	0.072	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-45.1	178.7	-63.2	172.5	0	0	0	110.2	F69 P70 T71 A72 K77 H78 L79 L98 L210	F69-I75 HydrophobicContact CD1-CD1 4.16Å; F69-I75 HydrophobicContact CE1-CD1 3.36Å; F69-I75 HydrophobicContact CZ-CD1 3.71Å; P70-I75 HydrophobicContact CB-CD1 4.05Å; P70-I75 HydrophobicContact CB-CG1 3.93Å; P70-I75 HydrophobicContact CG-CD1 4.5Å; T71-I75 PolarHBondContact O-N 3.48Å; T71-I75 VanDerWaalsContact O-N 3.12Å; A72-I75 PolarHBondContact O-N 2.87Å; I75-K77 PolarHBondContact O-N 3.43Å; I75-H78 PolarHBondContact O-N 2.75Å; I75-L79 HydrophobicContact CG2-CD1 4.04Å; I75-L79 HydrophobicContact CG2-CG 4.4Å; I75-L79 WeakPolarHBondContact O-CG 3.38Å; I75-L79 PolarHBondContact O-N 2.96Å; I75-L98 HydrophobicContact CB-CD1 4.05Å; I75-L98 HydrophobicContact CB-CD2 4.46Å; I75-L98 HydrophobicContact CD1-CD2 3.81Å; I75-L98 HydrophobicContact CG2-CD1 3.65Å; I75-L98 HydrophobicContact CG2-CD2 3.93Å; I75-L98 HydrophobicContact CG2-CG 4.45Å; I75-L210 HydrophobicContact CG2-CD2 3.32Å
76	M	75	Confident	67.3	Low	11 Å²	11	63.9 Å²	63.9	5%	0.054	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-35.8	179.6	-69.7	-62.4	-67.1	0	0	112.7	A72 D73 E74 H78 L79 K80 F91 L94 L95 L98	A72-M76 VanDerWaalsContact O-CB 3.28Å; A72-M76 WeakPolarHBondContact O-CB 3.36Å; A72-M76 WeakPolarHBondContact O-CG 3.48Å; A72-M76 PolarHBondContact O-N 3.37Å; D73-M76 PolarHBondContact O-N 3.39Å; E74-M76 VanDerWaalsContact C-N 3.31Å; E74-M76 PolarHBondContact O-N 3.44Å; M76-H78 VanDerWaalsContact C-N 3.25Å; M76-H78 PolarHBondContact O-N 2.9Å; M76-L79 PolarHBondContact O-N 3.31Å; M76-L79 HydrophobicContact SD-CD1 3.96Å; M76-K80 WeakPolarHBondContact O-CB 3.27Å; M76-K80 VanDerWaalsContact O-CG 3.22Å; M76-K80 WeakPolarHBondContact O-CG 3.42Å; M76-K80 PolarHBondContact O-N 3.43Å; M76-F91 HydrophobicContact CE-CB 3.4Å; M76-F91 HydrophobicContact CE-CD1 3.49Å; M76-F91 VanDerWaalsContact CE-CD1 3.49Å; M76-F91 HydrophobicContact CE-CD2 3.89Å; M76-F91 HydrophobicContact CE-CE1 4.25Å; M76-F91 HydrophobicContact CE-CG 3.28Å; M76-F91 HydrophobicContact SD-CD1 4.32Å; M76-L94 HydrophobicContact SD-CB 4.39Å; M76-L95 HydrophobicContact CE-CB 4.48Å; M76-L95 HydrophobicContact CG-CD1 4.04Å; M76-L98 HydrophobicContact CG-CD1 3.81Å; M76-L98 HydrophobicContact SD-CD1 3.6Å
77	K	74.7	Confident	68.4	Low	152 Å²	152	65 Å²	65	66%	0.661	35%	0.347	S	S	*	.	H	α-helix	trans	-58.7	-41.2	173.6	-177.8	-178.2	179.1	-176.9	0	110.9	D73 E74 I75	D73-K77 VanDerWaalsContact O-CB 3.31Å; D73-K77 WeakPolarHBondContact O-CB 3.5Å; D73-K77 PolarHBondContact O-N 3.21Å; E74-K77 WeakPolarHBondContact O-CB 3.34Å; E74-K77 PolarHBondContact O-N 3.46Å; I75-K77 PolarHBondContact O-N 3.43Å
78	H	70.6	Confident	69.6	Low	76 Å²	76	69 Å²	69	35%	0.352	36%	0.361	S	S	.	.	H	α-helix	trans	-72.3	-42.3	177	-73.6	-73.2	0	0	0	113.2	E74 I75 M76 K80 L81 F209	E74-H78 PolarHBondContact O-CD2 2.92Å; E74-H78 PolarHBondContact O-N 2.98Å; I75-H78 PolarHBondContact O-N 2.75Å; M76-H78 VanDerWaalsContact C-N 3.25Å; M76-H78 PolarHBondContact O-N 2.9Å; H78-K80 VanDerWaalsContact C-N 3.25Å; H78-K80 PolarHBondContact O-N 3.02Å; H78-L81 WeakPolarHBondContact O-CB 3.48Å; H78-L81 PolarHBondContact O-N 3.4Å; H78-L81 VanDerWaalsContact O-N 3.09Å; H78-F209 HydrophobicContact CB-CD1 4.49Å; H78-F209 HydrophobicContact CB-CE1 3.25Å; H78-F209 HydrophobicContact CB-CZ 3.31Å; H78-F209 AromaticContact CG-CE1 3.87Å; H78-F209 AromaticContact CG-CZ 3.46Å; H78-F209 VanDerWaalsContact CG-CZ 3.46Å; H78-F209 AromaticContact ND1-CZ 3.53Å
79	L	67.8	Low	70.3	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-32.9	175.9	-70.9	174.9	0	0	0	112.5	I75 M76 L81 S82 F91 L94 L210	I75-L79 HydrophobicContact CG2-CD1 4.04Å; I75-L79 HydrophobicContact CG2-CG 4.4Å; I75-L79 WeakPolarHBondContact O-CG 3.38Å; I75-L79 PolarHBondContact O-N 2.96Å; M76-L79 PolarHBondContact O-N 3.31Å; M76-L79 HydrophobicContact SD-CD1 3.96Å; L79-L81 PolarHBondContact O-N 2.87Å; L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.34Å; L79-S82 PolarHBondContact O-N 3.2Å; L79-S82 PolarHBondContact O-OG 2.82Å; L79-F91 HydrophobicContact CB-CE1 3.76Å; L79-F91 HydrophobicContact CB-CZ 4.1Å; L79-L94 HydrophobicContact CD1-CD1 3.84Å; L79-L210 HydrophobicContact CD1-CD2 4.21Å; L79-L210 HydrophobicContact CD2-CD1 4.14Å; L79-L210 HydrophobicContact CD2-CD2 4.16Å; L79-L210 HydrophobicContact CD2-CG 4.12Å; L79-L210 HydrophobicContact CG-CD2 4.32Å
80	K	69.3	Low	70.7	Confident	124 Å²	124	66.9 Å²	66.9	54%	0.539	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-27.8	174.8	-81	171.4	-177.1	179.6	0	113	M76 H78 S82 K87 F91	M76-K80 WeakPolarHBondContact O-CB 3.27Å; M76-K80 VanDerWaalsContact O-CG 3.22Å; M76-K80 WeakPolarHBondContact O-CG 3.42Å; M76-K80 PolarHBondContact O-N 3.43Å; H78-K80 VanDerWaalsContact C-N 3.25Å; H78-K80 PolarHBondContact O-N 3.02Å; K80-S82 PolarHBondContact O-N 3.01Å; K80-K87 PolarHBondContact O-NZ 3.29Å; K80-F91 HydrophobicContact CB-CE2 4.42Å; K80-F91 HydrophobicContact CG-CD2 4.35Å; K80-F91 HydrophobicContact CG-CE2 3.52Å; K80-F91 HydrophobicContact CG-CZ 3.99Å
81	L	67.7	Low	71	Confident	138 Å²	138	66.6 Å²	66.6	72%	0.723	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.9	176.2	-59.9	173	0	0	0	112.9	H78 L79	H78-L81 WeakPolarHBondContact O-CB 3.48Å; H78-L81 PolarHBondContact O-N 3.4Å; H78-L81 VanDerWaalsContact O-N 3.09Å; L79-L81 PolarHBondContact O-N 2.87Å
82	S	64.6	Low	71	Confident	28 Å²	28	72 Å²	72	20%	0.196	36%	0.356	C	S	.	.	S	Bend	trans	-80.9	139.9	178	-53	0	0	0	0	112.2	L79 K80 V84 K87	L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.34Å; L79-S82 PolarHBondContact O-N 3.2Å; L79-S82 PolarHBondContact O-OG 2.82Å; K80-S82 PolarHBondContact O-N 3.01Å; S82-V84 PolarHBondContact O-N 2.87Å; S82-V84 VanDerWaalsContact O-N 3.11Å; S82-K87 WeakPolarHBondContact O-CD 3.45Å; S82-K87 PolarHBondContact O-NZ 3.24Å
83	D	65.1	Low	70.9	Confident	141 Å²	141	74.9 Å²	74.9	75%	0.754	37%	0.373	S	S	*	.			trans	-85	60.7	173	-72.2	-26.7	0	0	0	110.9
84	V	61.8	Low	70.9	Confident	34 Å²	34	69.4 Å²	69.4	21%	0.206	34%	0.344	C	S	.	.			trans	-95.1	119.9	176	-179.3	0	0	0	0	109.1	S82 G86 K87 A129	S82-V84 PolarHBondContact O-N 2.87Å; S82-V84 VanDerWaalsContact O-N 3.11Å; V84-G86 PolarHBondContact O-N 3.17Å; V84-K87 HydrophobicContact CB-CB 4.25Å; V84-K87 WeakPolarHBondContact O-CB 3.26Å; V84-K87 PolarHBondContact O-N 2.96Å; V84-A129 HydrophobicContact CG1-CB 3.61Å
85	P	60.1	Low	71.3	Confident	34 Å²	34	67.2 Å²	67.2	22%	0.221	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	128	174.8	-21.4	31.7	0	0	0	110.5	R132 E133	P85-R132 HydrophobicContact CB-CB 4.03Å; P85-R132 WeakPolarHBondContact O-CD 3.37Å; P85-E133 HydrophobicContact CG-CG 4.07Å
86	G	66.7	Low	71.8	Confident	24 Å²	24	69.9 Å²	69.9	25%	0.247	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	8.6	178.4	0	0	0	0	0	116.6	V84 E88 E89 D90 R132	V84-G86 PolarHBondContact O-N 3.17Å; G86-E88 PolarHBondContact O-N 3.39Å; G86-E89 PolarHBondContact O-N 3.41Å; G86-D90 PolarHBondContact O-N 3.41Å; G86-R132 VanDerWaalsContact CA-CZ 3.41Å
87	K	71.1	Confident	72.1	Confident	60 Å²	60	70.4 Å²	70.4	26%	0.261	36%	0.356	S	S	.	.	H	α-helix	trans	-49	-32	-174.9	65	-175.7	175.7	-175.9	0	115.2	K80 S82 V84 E89 D90 F91	K80-K87 PolarHBondContact O-NZ 3.29Å; S82-K87 WeakPolarHBondContact O-CD 3.45Å; S82-K87 PolarHBondContact O-NZ 3.24Å; V84-K87 HydrophobicContact CB-CB 4.25Å; V84-K87 WeakPolarHBondContact O-CB 3.26Å; V84-K87 PolarHBondContact O-N 2.96Å; K87-E89 PolarHBondContact O-N 2.96Å; K87-D90 PolarHBondContact O-N 2.95Å; K87-F91 HydrophobicContact CB-CE1 4.02Å; K87-F91 HydrophobicContact CB-CE2 4.02Å; K87-F91 HydrophobicContact CB-CZ 3.72Å; K87-F91 HydrophobicContact CD-CE2 4.08Å; K87-F91 HydrophobicContact CD-CZ 3.94Å; K87-F91 HydrophobicContact CG-CE2 3.93Å; K87-F91 HydrophobicContact CG-CZ 4.01Å; K87-F91 VanDerWaalsContact O-CB 3.25Å; K87-F91 WeakPolarHBondContact O-CB 3.29Å; K87-F91 WeakPolarHBondContact O-CD1 3.22Å; K87-F91 WeakPolarHBondContact O-CD2 3.37Å; K87-F91 WeakPolarHBondContact O-CG 3.47Å; K87-F91 PolarHBondContact O-N 3.27Å
88	E	76.8	Confident	72.5	Confident	155 Å²	155	63.2 Å²	63.2	72%	0.724	33%	0.325	S	S	*	.	H	α-helix	trans	-63.6	-40	179.3	-65.7	-173.6	172.3	0	0	113.7	G86 K92	G86-E88 PolarHBondContact O-N 3.39Å; E88-K92 PolarHBondContact O-N 2.9Å
89	E	73.6	Confident	73.2	Confident	88 Å²	88	64.6 Å²	64.6	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-71.4	-39	175.5	-67.7	167.6	-129.9	0	0	110.7	G86 K87 F91 K92 R128 R132	G86-E89 PolarHBondContact O-N 3.41Å; K87-E89 PolarHBondContact O-N 2.96Å; E89-F91 VanDerWaalsContact C-N 3.28Å; E89-F91 PolarHBondContact O-N 2.96Å; E89-K92 WeakPolarHBondContact O-CB 3.33Å; E89-K92 PolarHBondContact O-N 3.45Å; E89-R128 IonicContact OE2-CZ 2.87Å; E89-R128 IonicContact OE2-NH1 2.65Å; E89-R128 PolarHBondContact OE2-NH1 3.43Å; E89-R128 IonicContact OE2-NH2 3.79Å; E89-R128 PolarHBondContact OE2-NH2 3.28Å; E89-R132 IonicContact OE1-CZ 3.34Å; E89-R132 IonicContact OE1-NH1 3.38Å; E89-R132 PolarHBondContact OE1-NH1 3.06Å; E89-R132 VanDerWaalsContact OE1-NH1 3.08Å; E89-R132 IonicContact OE1-NH2 2.7Å; E89-R132 PolarHBondContact OE1-NH2 3.19Å; E89-R132 IonicContact OE2-CZ 3.71Å; E89-R132 IonicContact OE2-NH2 2.77Å; E89-R132 PolarHBondContact OE2-NH2 3.23Å
90	D	70.1	Confident	73.9	Confident	2 Å²	2	68 Å²	68	1%	0.011	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-31.3	179.8	-65.1	-30.6	0	0	0	111.4	G86 K87 K92 V93 L94 I125 R128	G86-D90 PolarHBondContact O-N 3.41Å; K87-D90 PolarHBondContact O-N 2.95Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 3.44Å; D90-V93 WeakPolarHBondContact O-CB 3.26Å; D90-V93 PolarHBondContact O-N 2.92Å; D90-V93 VanDerWaalsContact O-N 3.12Å; D90-L94 PolarHBondContact O-N 3.21Å; D90-I125 HydrophobicContact CB-CB 4.28Å; D90-I125 HydrophobicContact CB-CD1 3.84Å; D90-I125 HydrophobicContact CB-CG1 3.68Å; D90-I125 HydrophobicContact CB-CG2 3.71Å; D90-R128 IonicContact OD1-CZ 3.97Å; D90-R128 IonicContact OD1-NH1 3.72Å; D90-R128 PolarHBondContact OD1-NH1 2.9Å
91	F	77.4	Confident	74.2	Confident	30 Å²	30	62 Å²	62	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-33.3	171.8	-73	-8.3	0	0	0	113.2	M76 L79 K80 K87 E89 V93 L94 L95	M76-F91 HydrophobicContact CE-CB 3.4Å; M76-F91 HydrophobicContact CE-CD1 3.49Å; M76-F91 VanDerWaalsContact CE-CD1 3.49Å; M76-F91 HydrophobicContact CE-CD2 3.89Å; M76-F91 HydrophobicContact CE-CE1 4.25Å; M76-F91 HydrophobicContact CE-CG 3.28Å; M76-F91 HydrophobicContact SD-CD1 4.32Å; L79-F91 HydrophobicContact CB-CE1 3.76Å; L79-F91 HydrophobicContact CB-CZ 4.1Å; K80-F91 HydrophobicContact CB-CE2 4.42Å; K80-F91 HydrophobicContact CG-CD2 4.35Å; K80-F91 HydrophobicContact CG-CE2 3.52Å; K80-F91 HydrophobicContact CG-CZ 3.99Å; K87-F91 HydrophobicContact CB-CE1 4.02Å; K87-F91 HydrophobicContact CB-CE2 4.02Å; K87-F91 HydrophobicContact CB-CZ 3.72Å; K87-F91 HydrophobicContact CD-CE2 4.08Å; K87-F91 HydrophobicContact CD-CZ 3.94Å; K87-F91 HydrophobicContact CG-CE2 3.93Å; K87-F91 HydrophobicContact CG-CZ 4.01Å; K87-F91 VanDerWaalsContact O-CB 3.25Å; K87-F91 WeakPolarHBondContact O-CB 3.29Å; K87-F91 WeakPolarHBondContact O-CD1 3.22Å; K87-F91 WeakPolarHBondContact O-CD2 3.37Å; K87-F91 WeakPolarHBondContact O-CG 3.47Å; K87-F91 PolarHBondContact O-N 3.27Å; E89-F91 VanDerWaalsContact C-N 3.28Å; E89-F91 PolarHBondContact O-N 2.96Å; F91-V93 PolarHBondContact O-N 3.38Å; F91-L94 PolarHBondContact O-N 2.91Å; F91-L95 VanDerWaalsContact O-CB 3.24Å; F91-L95 WeakPolarHBondContact O-CB 3.21Å; F91-L95 PolarHBondContact O-N 3.24Å
92	K	77.3	Confident	74.8	Confident	165 Å²	165	59.8 Å²	59.8	72%	0.717	31%	0.308	S	S	*	.	H	α-helix	trans	-65	-27.3	173.3	-64.6	178.3	-179.9	-175.4	0	112	E88 E89 D90 P96	E88-K92 PolarHBondContact O-N 2.9Å; E89-K92 WeakPolarHBondContact O-CB 3.33Å; E89-K92 PolarHBondContact O-N 3.45Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 3.44Å; K92-P96 WeakPolarHBondContact O-CD 3.42Å
93	V	75.2	Confident	75.7	Confident	60 Å²	60	65 Å²	65	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-82	-43.5	175.2	-177.6	0	0	0	0	111.4	D90 F91 I97 A121	D90-V93 WeakPolarHBondContact O-CB 3.26Å; D90-V93 PolarHBondContact O-N 2.92Å; D90-V93 VanDerWaalsContact O-N 3.12Å; F91-V93 PolarHBondContact O-N 3.38Å; V93-I97 HydrophobicContact CG1-CD1 4.45Å; V93-I97 WeakPolarHBondContact O-CD1 3.42Å; V93-A121 HydrophobicContact CG1-CB 4.37Å
94	L	77.6	Confident	76.1	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-72.5	-40.2	-176.7	-73.4	173.8	0	0	0	113.4	M76 L79 D90 F91 I97 L98 L118 A121 I125	M76-L94 HydrophobicContact SD-CB 4.39Å; L79-L94 HydrophobicContact CD1-CD1 3.84Å; D90-L94 PolarHBondContact O-N 3.21Å; F91-L94 PolarHBondContact O-N 2.91Å; L94-I97 PolarHBondContact O-N 2.65Å; L94-L98 HydrophobicContact CB-CD1 4.42Å; L94-L98 WeakPolarHBondContact O-CG 3.27Å; L94-L98 PolarHBondContact O-N 3.37Å; L94-L118 HydrophobicContact CD2-CD1 4.02Å; L94-A121 HydrophobicContact CD2-CB 4Å; L94-I125 HydrophobicContact CD1-CD1 3.5Å; L94-I125 HydrophobicContact CD2-CD1 3.68Å; L94-I125 HydrophobicContact CG-CD1 3.3Å
95	L	82.9	Confident	76.7	Confident	57 Å²	57	66.9 Å²	66.9	30%	0.298	32%	0.323	S	S	.	.	H	α-helix	trans	-57.8	-46.7	-171.6	178.1	67.6	0	0	0	113.1	A72 M76 F91 I97 L98 K99	A72-L95 HydrophobicContact CB-CD1 4.19Å; M76-L95 HydrophobicContact CE-CB 4.48Å; M76-L95 HydrophobicContact CG-CD1 4.04Å; F91-L95 VanDerWaalsContact O-CB 3.24Å; F91-L95 WeakPolarHBondContact O-CB 3.21Å; F91-L95 PolarHBondContact O-N 3.24Å; L95-I97 VanDerWaalsContact C-N 3.31Å; L95-I97 PolarHBondContact O-N 2.84Å; L95-L98 PolarHBondContact O-N 3.43Å; L95-K99 WeakPolarHBondContact O-CG 3.5Å; L95-K99 PolarHBondContact O-N 2.88Å
96	P	83	Confident	77	Confident	71 Å²	71	67.7 Å²	67.7	46%	0.461	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-37.5	175.2	-23.3	34.4	0	0	0	113.2	K92 K99 L100	K92-P96 WeakPolarHBondContact O-CD 3.42Å; P96-K99 PolarHBondContact O-N 2.63Å; P96-L100 WeakPolarHBondContact O-CG 3.39Å; P96-L100 PolarHBondContact O-N 3.37Å
97	I	81.1	Confident	76.9	Confident	22 Å²	22	70 Å²	70	11%	0.113	34%	0.337	C	S	.	.	H	α-helix	trans	-69	-40.4	179.8	-59.8	170.9	0	0	0	111	V93 L94 L95 L100 A101 I113 L117 L118 A121	V93-I97 HydrophobicContact CG1-CD1 4.45Å; V93-I97 WeakPolarHBondContact O-CD1 3.42Å; L94-I97 PolarHBondContact O-N 2.65Å; L95-I97 VanDerWaalsContact C-N 3.31Å; L95-I97 PolarHBondContact O-N 2.84Å; I97-L100 PolarHBondContact O-N 3.3Å; I97-A101 PolarHBondContact O-N 3.2Å; I97-I113 HydrophobicContact CG2-CG2 4.28Å; I97-L117 HydrophobicContact CD1-CB 4.3Å; I97-L117 HydrophobicContact CG1-CB 4.31Å; I97-L117 HydrophobicContact CG2-CB 3.69Å; I97-L118 HydrophobicContact CG2-CB 3.91Å; I97-L118 HydrophobicContact CG2-CD1 4.09Å; I97-A121 HydrophobicContact CD1-CB 3.5Å; I97-A121 VanDerWaalsContact CD1-CB 3.5Å
98	L	82.4	Confident	76.6	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-65.8	-39.6	176.4	-67.3	174.3	0	0	0	111.5	F69 A72 I75 M76 L94 L95 A101 E102 L118	F69-L98 HydrophobicContact CE1-CD2 4.16Å; F69-L98 HydrophobicContact CZ-CD2 4.12Å; A72-L98 HydrophobicContact CB-CB 3.69Å; I75-L98 HydrophobicContact CB-CD1 4.05Å; I75-L98 HydrophobicContact CB-CD2 4.46Å; I75-L98 HydrophobicContact CD1-CD2 3.81Å; I75-L98 HydrophobicContact CG2-CD1 3.65Å; I75-L98 HydrophobicContact CG2-CD2 3.93Å; I75-L98 HydrophobicContact CG2-CG 4.45Å; M76-L98 HydrophobicContact CG-CD1 3.81Å; M76-L98 HydrophobicContact SD-CD1 3.6Å; L94-L98 HydrophobicContact CB-CD1 4.42Å; L94-L98 WeakPolarHBondContact O-CG 3.27Å; L94-L98 PolarHBondContact O-N 3.37Å; L95-L98 PolarHBondContact O-N 3.43Å; L98-A101 WeakPolarHBondContact O-CB 3.2Å; L98-A101 PolarHBondContact O-N 3.08Å; L98-E102 PolarHBondContact O-N 3.1Å; L98-L118 HydrophobicContact CD2-CD1 3.78Å; L98-L118 HydrophobicContact CD2-CD2 4.38Å; L98-L118 HydrophobicContact CG-CD1 4.48Å
99	K	86.4	Confident	76	Confident	104 Å²	104	66.8 Å²	66.8	45%	0.452	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-42.9	173.4	-75.6	-178	171	-171.9	0	112.3	A72 L95 P96 A101 E102 E103	A72-K99 HydrophobicContact CB-CG 3.95Å; L95-K99 WeakPolarHBondContact O-CG 3.5Å; L95-K99 PolarHBondContact O-N 2.88Å; P96-K99 PolarHBondContact O-N 2.63Å; K99-A101 VanDerWaalsContact C-N 3.28Å; K99-A101 PolarHBondContact O-N 3.07Å; K99-E102 WeakPolarHBondContact O-CB 3.46Å; K99-E102 PolarHBondContact O-N 3.12Å; K99-E103 WeakPolarHBondContact O-CG 3.36Å; K99-E103 PolarHBondContact O-N 3.03Å
100	L	81.1	Confident	75.5	Confident	81 Å²	81	63.5 Å²	63.5	42%	0.424	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-41.1	173.6	-71.5	171.6	0	0	0	111.6	P96 I97 E103 A104 I113 L117	P96-L100 WeakPolarHBondContact O-CG 3.39Å; P96-L100 PolarHBondContact O-N 3.37Å; I97-L100 PolarHBondContact O-N 3.3Å; L100-E103 PolarHBondContact O-N 3.38Å; L100-A104 PolarHBondContact O-N 2.92Å; L100-I113 HydrophobicContact CB-CD1 4.25Å; L100-I113 HydrophobicContact CB-CG2 4.35Å; L100-I113 WeakPolarHBondContact O-CD1 3.37Å; L100-L117 HydrophobicContact CD1-CD1 4.14Å
101	A	75.9	Confident	75.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.1	-37.5	177.5	0	0	0	0	0	112.4	F69 I97 L98 K99 E103 A104 L110 I113	F69-A101 HydrophobicContact CD1-CB 3.7Å; F69-A101 HydrophobicContact CD2-CB 4.17Å; F69-A101 HydrophobicContact CE1-CB 3.39Å; F69-A101 HydrophobicContact CE2-CB 3.83Å; F69-A101 HydrophobicContact CG-CB 4.09Å; F69-A101 HydrophobicContact CZ-CB 3.46Å; F69-A101 VanDerWaalsContact CZ-CB 3.46Å; I97-A101 PolarHBondContact O-N 3.2Å; L98-A101 WeakPolarHBondContact O-CB 3.2Å; L98-A101 PolarHBondContact O-N 3.08Å; K99-A101 VanDerWaalsContact C-N 3.28Å; K99-A101 PolarHBondContact O-N 3.07Å; A101-E103 VanDerWaalsContact C-N 3.32Å; A101-A104 WeakPolarHBondContact O-CB 3.44Å; A101-A104 PolarHBondContact O-N 2.89Å; A101-L110 HydrophobicContact CB-CD1 3.86Å; A101-I113 HydrophobicContact CB-CG2 3.83Å
102	E	80.8	Confident	74.5	Confident	91 Å²	91	71.2 Å²	71.2	43%	0.425	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-37.4	173.2	-177.8	178	170.4	0	0	112.1	F69 A72 L98 K99 A104	F69-E102 HydrophobicContact CD1-CB 4.48Å; A72-E102 WeakPolarHBondContact CB-OE2 3.41Å; A72-E102 PolarHBondContact N-OE2 2.95Å; L98-E102 PolarHBondContact O-N 3.1Å; K99-E102 WeakPolarHBondContact O-CB 3.46Å; K99-E102 PolarHBondContact O-N 3.12Å; E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 3.45Å
103	E	83.5	Confident	74	Confident	136 Å²	136	64.2 Å²	64.2	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-80.7	-8.2	180	-69.9	174.9	-171.4	0	0	114.1	K99 L100 A101 R105	K99-E103 WeakPolarHBondContact O-CG 3.36Å; K99-E103 PolarHBondContact O-N 3.03Å; L100-E103 PolarHBondContact O-N 3.38Å; A101-E103 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 2.88Å
104	A	73.4	Confident	73.4	Confident	7 Å²	7	62.5 Å²	62.5	6%	0.058	32%	0.317	C	S	.	.			trans	-63.3	122.9	-176.4	0	0	0	0	0	111.8	C66 L100 A101 E102 E109 L110 I113	C66-A104 PolarHBondContact SG-O 3.44Å; C66-A104 VanDerWaalsContact SG-O 3.32Å; L100-A104 PolarHBondContact O-N 2.92Å; A101-A104 WeakPolarHBondContact O-CB 3.44Å; A101-A104 PolarHBondContact O-N 2.89Å; E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 3.45Å; A104-E109 HydrophobicContact CB-CB 4.39Å; A104-E109 HydrophobicContact CB-CG 4.01Å; A104-L110 HydrophobicContact CB-CB 3.81Å; A104-L110 HydrophobicContact CB-CD1 4.18Å; A104-I113 HydrophobicContact CB-CD1 4Å
105	R	74.4	Confident	72.3	Confident	209 Å²	209	63.7 Å²	63.7	79%	0.789	33%	0.331	S	S	*	.			trans	-91.7	-18.5	-173.9	-60.7	-172.6	-179.4	-166.8	-0.7	113.4	E103 E109	E103-R105 PolarHBondContact O-N 2.88Å; R105-E109 PolarHBondContact N-OE2 3.46Å
106	T	66.4	Low	71.4	Confident	51 Å²	51	67.1 Å²	67.1	31%	0.313	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-129.1	152.9	-179.5	67.7	0	0	0	0	110.9	S108 E109 L110	T106-S108 PolarHBondContact O-N 2.78Å; T106-E109 PolarHBondContact O-N 2.73Å; T106-E109 VanDerWaalsContact OG1-CB 3.25Å; T106-E109 WeakPolarHBondContact OG1-CB 3.31Å; T106-E109 PolarHBondContact OG1-N 2.73Å; T106-E109 VanDerWaalsContact OG1-N 3.14Å; T106-L110 PolarHBondContact O-N 2.95Å
107	T	63.8	Low	70.6	Confident	71 Å²	71	67.2 Å²	67.2	44%	0.436	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-34.1	174.2	52.7	0	0	0	0	112.6	S111	T107-S111 WeakPolarHBondContact O-CB 3.39Å; T107-S111 PolarHBondContact O-N 3.45Å
108	S	65	Low	69.9	Low	65 Å²	65	66.5 Å²	66.5	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-43.6	175.9	-173.9	0	0	0	0	112.2	T106 K112	T106-S108 PolarHBondContact O-N 2.78Å; S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.48Å; S108-K112 PolarHBondContact O-N 3.19Å
109	E	63.8	Low	69	Low	84 Å²	84	69 Å²	69	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-48.1	175.4	-179.1	174.9	-148.4	0	0	111.1	A104 R105 T106 S111 K112 I113	A104-E109 HydrophobicContact CB-CB 4.39Å; A104-E109 HydrophobicContact CB-CG 4.01Å; R105-E109 PolarHBondContact N-OE2 3.46Å; T106-E109 PolarHBondContact O-N 2.73Å; T106-E109 VanDerWaalsContact OG1-CB 3.25Å; T106-E109 WeakPolarHBondContact OG1-CB 3.31Å; T106-E109 PolarHBondContact OG1-N 2.73Å; T106-E109 VanDerWaalsContact OG1-N 3.14Å; E109-S111 PolarHBondContact O-N 3.32Å; E109-K112 WeakPolarHBondContact O-CB 3.45Å; E109-K112 PolarHBondContact O-N 3.39Å; E109-I113 HydrophobicContact CG-CD1 3.98Å; E109-I113 WeakPolarHBondContact O-CG1 3.31Å; E109-I113 PolarHBondContact O-N 2.86Å
110	L	64.6	Low	67.8	Low	18 Å²	18	64.9 Å²	64.9	9%	0.094	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-46	177.1	-179.9	59.2	0	0	0	111.7	F69 A101 A104 T106 K112 I113 I114	F69-L110 HydrophobicContact CB-CD1 4.31Å; F69-L110 HydrophobicContact CB-CD2 4.46Å; F69-L110 HydrophobicContact CD2-CD1 3.54Å; F69-L110 HydrophobicContact CD2-CD2 4.19Å; F69-L110 HydrophobicContact CD2-CG 4.43Å; F69-L110 HydrophobicContact CE2-CD1 4Å; F69-L110 HydrophobicContact CG-CD1 4.06Å; A101-L110 HydrophobicContact CB-CD1 3.86Å; A104-L110 HydrophobicContact CB-CB 3.81Å; A104-L110 HydrophobicContact CB-CD1 4.18Å; T106-L110 PolarHBondContact O-N 2.95Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.26Å; L110-I113 PolarHBondContact O-N 2.92Å; L110-I114 HydrophobicContact CD1-CD1 3.93Å; L110-I114 HydrophobicContact CD1-CG1 4.16Å; L110-I114 HydrophobicContact CD2-CD1 4.48Å; L110-I114 HydrophobicContact CG-CD1 3.84Å; L110-I114 HydrophobicContact CG-CG1 4.45Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 2.95Å
111	S	61.3	Low	67	Low	78 Å²	78	61.4 Å²	61.4	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-42	176.8	178.6	0	0	0	0	112.1	T107 E109 I114 G115	T107-S111 WeakPolarHBondContact O-CB 3.39Å; T107-S111 PolarHBondContact O-N 3.45Å; E109-S111 PolarHBondContact O-N 3.32Å; S111-I114 PolarHBondContact O-N 3.35Å; S111-G115 PolarHBondContact O-N 2.97Å
112	K	64.1	Low	66.4	Low	116 Å²	116	62.4 Å²	62.4	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-42.8	174.7	-75.5	169.6	-176	172.7	0	111.6	S108 E109 L110 R116	S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.48Å; S108-K112 PolarHBondContact O-N 3.19Å; E109-K112 WeakPolarHBondContact O-CB 3.45Å; E109-K112 PolarHBondContact O-N 3.39Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.26Å; K112-R116 WeakPolarHBondContact O-CB 3.44Å; K112-R116 WeakPolarHBondContact O-CG 3.43Å; K112-R116 PolarHBondContact O-N 3.44Å
113	I	66.5	Low	65.4	Low	19 Å²	19	60.5 Å²	60.5	10%	0.097	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-47.2	178.4	-67.3	160.8	0	0	0	110.4	I97 L100 A101 A104 E109 L110 L117 L118	I97-I113 HydrophobicContact CG2-CG2 4.28Å; L100-I113 HydrophobicContact CB-CD1 4.25Å; L100-I113 HydrophobicContact CB-CG2 4.35Å; L100-I113 WeakPolarHBondContact O-CD1 3.37Å; A101-I113 HydrophobicContact CB-CG2 3.83Å; A104-I113 HydrophobicContact CB-CD1 4Å; E109-I113 HydrophobicContact CG-CD1 3.98Å; E109-I113 WeakPolarHBondContact O-CG1 3.31Å; E109-I113 PolarHBondContact O-N 2.86Å; L110-I113 PolarHBondContact O-N 2.92Å; I113-L117 HydrophobicContact CG2-CD1 4.39Å; I113-L117 WeakPolarHBondContact O-CA 3.45Å; I113-L117 VanDerWaalsContact O-CB 3.3Å; I113-L117 WeakPolarHBondContact O-CB 3.38Å; I113-L117 PolarHBondContact O-N 2.91Å; I113-L118 PolarHBondContact O-N 3.01Å
114	I	63	Low	64.4	Low	24 Å²	24	56.6 Å²	56.6	12%	0.123	29%	0.294	C	S	.	.	I	π-helix	trans	-60.5	-53.1	177.9	-67.9	170.9	0	0	0	110.3	F69 L110 S111 L118 L119 L214	F69-I114 HydrophobicContact CE2-CD1 4.19Å; F69-I114 HydrophobicContact CE2-CG1 4.38Å; L110-I114 HydrophobicContact CD1-CD1 3.93Å; L110-I114 HydrophobicContact CD1-CG1 4.16Å; L110-I114 HydrophobicContact CD2-CD1 4.48Å; L110-I114 HydrophobicContact CG-CD1 3.84Å; L110-I114 HydrophobicContact CG-CG1 4.45Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 2.95Å; S111-I114 PolarHBondContact O-N 3.35Å; I114-L118 HydrophobicContact CG1-CD2 4.35Å; I114-L118 PolarHBondContact O-N 3.19Å; I114-L119 HydrophobicContact CG2-CG 4.33Å; I114-L119 WeakPolarHBondContact O-CB 3.46Å; I114-L119 WeakPolarHBondContact O-CG 3.31Å; I114-L119 PolarHBondContact O-N 3.17Å; I114-L214 HydrophobicContact CD1-CD1 4.33Å
115	G	54.8	Low	63.9	Low	33 Å²	33	57.1 Å²	57.1	34%	0.34	30%	0.295	S	S	.	.	I	π-helix	trans	-68.9	-38.7	-174.1	0	0	0	0	0	114.2	S111	S111-G115 PolarHBondContact O-N 2.97Å
116	R	64.6	Low	63.3	Low	128 Å²	128	47.5 Å²	47.5	48%	0.483	26%	0.261	S	S	.	.	I	π-helix	trans	-99.8	-20.3	-172.2	-58.4	-174.3	173.9	-166	-2.4	114.4	K112 T239	K112-R116 WeakPolarHBondContact O-CB 3.44Å; K112-R116 WeakPolarHBondContact O-CG 3.43Å; K112-R116 PolarHBondContact O-N 3.44Å; R116-T239 PolarHBondContact NH2-O 3.25Å; R116-T239 VanDerWaalsContact NH2-O 3.14Å
117	L	66.6	Low	63	Low	73 Å²	73	51 Å²	51	38%	0.382	27%	0.269	S	S	.	.	I	π-helix	trans	-120	-59.2	-177.4	-56.3	176.4	0	0	0	111.3	I97 L100 I113 P120 A121	I97-L117 HydrophobicContact CD1-CB 4.3Å; I97-L117 HydrophobicContact CG1-CB 4.31Å; I97-L117 HydrophobicContact CG2-CB 3.69Å; L100-L117 HydrophobicContact CD1-CD1 4.14Å; I113-L117 HydrophobicContact CG2-CD1 4.39Å; I113-L117 WeakPolarHBondContact O-CA 3.45Å; I113-L117 VanDerWaalsContact O-CB 3.3Å; I113-L117 WeakPolarHBondContact O-CB 3.38Å; I113-L117 PolarHBondContact O-N 2.91Å; L117-P120 WeakPolarHBondContact O-CD 3.33Å; L117-A121 VanDerWaalsContact O-CB 3.27Å; L117-A121 WeakPolarHBondContact O-CB 3.4Å; L117-A121 PolarHBondContact O-N 2.85Å
118	L	65.9	Low	62.9	Low	8 Å²	8	49.8 Å²	49.8	4%	0.042	26%	0.257	C	S	.	.	I	π-helix	trans	-65.7	-49.4	-171	-172.7	61.6	0	0	0	112.2	F69 L94 I97 L98 I113 I114 A121 C122	F69-L118 HydrophobicContact CZ-CD2 4.37Å; L94-L118 HydrophobicContact CD2-CD1 4.02Å; I97-L118 HydrophobicContact CG2-CB 3.91Å; I97-L118 HydrophobicContact CG2-CD1 4.09Å; L98-L118 HydrophobicContact CD2-CD1 3.78Å; L98-L118 HydrophobicContact CD2-CD2 4.38Å; L98-L118 HydrophobicContact CG-CD1 4.48Å; I113-L118 PolarHBondContact O-N 3.01Å; I114-L118 HydrophobicContact CG1-CD2 4.35Å; I114-L118 PolarHBondContact O-N 3.19Å; L118-A121 PolarHBondContact O-N 3.1Å; L118-C122 WeakPolarHBondContact O-CB 3.1Å; L118-C122 PolarHBondContact O-N 3.07Å; L118-C122 PolarHBondContact O-SG 2.86Å
119	L	62.2	Low	62.8	Low	53 Å²	53	47 Å²	47	28%	0.277	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-54.4	178.1	-79.7	-173.4	0	0	0	112.1	I114 A121 C122 V123 F211	I114-L119 HydrophobicContact CG2-CG 4.33Å; I114-L119 WeakPolarHBondContact O-CB 3.46Å; I114-L119 WeakPolarHBondContact O-CG 3.31Å; I114-L119 PolarHBondContact O-N 3.17Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.95Å; L119-C122 PolarHBondContact O-N 3.22Å; L119-V123 WeakPolarHBondContact O-CG2 3.18Å; L119-V123 PolarHBondContact O-N 3.02Å; L119-F211 HydrophobicContact CD2-CE1 3.29Å; L119-F211 HydrophobicContact CD2-CE2 4.48Å; L119-F211 HydrophobicContact CD2-CZ 3.16Å
120	P	61.4	Low	62.7	Low	17 Å²	17	47.1 Å²	47.1	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-42.3	174.2	-28.9	35.8	0	0	0	113.8	L117 V123 W124 W188	L117-P120 WeakPolarHBondContact O-CD 3.33Å; P120-V123 PolarHBondContact O-N 3.03Å; P120-W124 WeakPolarHBondContact O-CB 3.02Å; P120-W124 PolarHBondContact O-N 2.85Å; P120-W188 HydrophobicContact CG-CH2 4.3Å; P120-W188 HydrophobicContact CG-CZ2 4.15Å
121	A	64.2	Low	62.6	Low	9 Å²	9	47.9 Å²	47.9	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-43.3	179.2	0	0	0	0	0	111.8	V93 L94 I97 L117 L118 L119 W124 I125	V93-A121 HydrophobicContact CG1-CB 4.37Å; L94-A121 HydrophobicContact CD2-CB 4Å; I97-A121 HydrophobicContact CD1-CB 3.5Å; I97-A121 VanDerWaalsContact CD1-CB 3.5Å; L117-A121 VanDerWaalsContact O-CB 3.27Å; L117-A121 WeakPolarHBondContact O-CB 3.4Å; L117-A121 PolarHBondContact O-N 2.85Å; L118-A121 PolarHBondContact O-N 3.1Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.95Å; A121-W124 WeakPolarHBondContact O-CB 3.29Å; A121-W124 PolarHBondContact O-N 2.89Å; A121-I125 WeakPolarHBondContact O-CB 3.32Å; A121-I125 WeakPolarHBondContact O-CD1 3.25Å; A121-I125 WeakPolarHBondContact O-CG1 2.93Å; A121-I125 PolarHBondContact O-N 2.6Å
122	C	65	Low	62.8	Low	20 Å²	20	46.4 Å²	46.4	14%	0.135	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-43.4	176.5	-69.8	0	0	0	0	112.4	L118 L119 W124 I125 G126 L210	L118-C122 WeakPolarHBondContact O-CB 3.1Å; L118-C122 PolarHBondContact O-N 3.07Å; L118-C122 PolarHBondContact O-SG 2.86Å; L119-C122 PolarHBondContact O-N 3.22Å; C122-W124 VanDerWaalsContact C-N 3.33Å; C122-I125 PolarHBondContact O-N 3.07Å; C122-G126 PolarHBondContact O-N 3.19Å; C122-L210 WeakPolarHBondContact SG-CD1 3.5Å
123	V	58.6	Low	62.9	Low	52 Å²	52	43.8 Å²	43.8	32%	0.315	21%	0.213	S	C	.	.	H	α-helix	trans	-61.1	-45.5	175.4	172.4	0	0	0	0	110.3	L119 P120 G126 Y127 V191	L119-V123 WeakPolarHBondContact O-CG2 3.18Å; L119-V123 PolarHBondContact O-N 3.02Å; P120-V123 PolarHBondContact O-N 3.03Å; V123-G126 PolarHBondContact O-N 3.45Å; V123-Y127 PolarHBondContact O-N 3.37Å; V123-V191 HydrophobicContact CG1-CG1 4.49Å
124	W	62.1	Low	62.7	Low	54 Å²	54	47.1 Å²	47.1	21%	0.205	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-47.4	178.1	177.7	-115	0	0	0	112.6	P120 A121 C122 G126 Y127 R128 P174 I180	P120-W124 WeakPolarHBondContact O-CB 3.02Å; P120-W124 PolarHBondContact O-N 2.85Å; A121-W124 WeakPolarHBondContact O-CB 3.29Å; A121-W124 PolarHBondContact O-N 2.89Å; C122-W124 VanDerWaalsContact C-N 3.33Å; W124-G126 VanDerWaalsContact C-N 3.35Å; W124-G126 PolarHBondContact O-N 3.42Å; W124-Y127 HydrophobicContact CE3-CD1 4.38Å; W124-Y127 HydrophobicContact CH2-CD1 4.08Å; W124-Y127 HydrophobicContact CH2-CE1 4.41Å; W124-Y127 AromaticContact CZ3-CD1 3.68Å; W124-Y127 HydrophobicContact CZ3-CD1 3.68Å; W124-Y127 HydrophobicContact CZ3-CE1 4.19Å; W124-Y127 WeakPolarHBondContact O-CB 3.4Å; W124-Y127 PolarHBondContact O-N 3.42Å; W124-R128 HydrophobicContact CD2-CG 4.45Å; W124-R128 HydrophobicContact CH2-CG 4.24Å; W124-R128 HydrophobicContact CZ2-CG 3.71Å; W124-R128 PolarHBondContact O-N 3.48Å; W124-P174 HydrophobicContact CH2-CB 3.12Å; W124-P174 HydrophobicContact CH2-CG 3.67Å; W124-P174 HydrophobicContact CZ2-CB 3.27Å; W124-P174 HydrophobicContact CZ2-CG 3.41Å; W124-P174 VanDerWaalsContact CZ2-CG 3.41Å; W124-P174 HydrophobicContact CZ3-CB 4.38Å; W124-I180 HydrophobicContact CE3-CG2 4.32Å; W124-I180 HydrophobicContact CH2-CD1 3.55Å; W124-I180 HydrophobicContact CZ3-CD1 3.47Å; W124-I180 VanDerWaalsContact CZ3-CD1 3.47Å; W124-I180 HydrophobicContact CZ3-CG2 3.89Å
125	I	63.8	Low	62.7	Low	18 Å²	18	49.8 Å²	49.8	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-42.6	177.4	-71.5	165.3	0	0	0	110.8	D90 L94 A121 C122 Y127 R128 A129	D90-I125 HydrophobicContact CB-CB 4.28Å; D90-I125 HydrophobicContact CB-CD1 3.84Å; D90-I125 HydrophobicContact CB-CG1 3.68Å; D90-I125 HydrophobicContact CB-CG2 3.71Å; L94-I125 HydrophobicContact CD1-CD1 3.5Å; L94-I125 HydrophobicContact CD2-CD1 3.68Å; L94-I125 HydrophobicContact CG-CD1 3.3Å; A121-I125 WeakPolarHBondContact O-CB 3.32Å; A121-I125 WeakPolarHBondContact O-CD1 3.25Å; A121-I125 WeakPolarHBondContact O-CG1 2.93Å; A121-I125 PolarHBondContact O-N 2.6Å; C122-I125 PolarHBondContact O-N 3.07Å; I125-Y127 VanDerWaalsContact C-N 3.32Å; I125-Y127 PolarHBondContact O-N 3.47Å; I125-R128 PolarHBondContact O-N 3.02Å; I125-A129 WeakPolarHBondContact O-CB 3.48Å; I125-A129 PolarHBondContact O-N 2.86Å
126	G	61.1	Low	63.5	Low	6 Å²	6	54 Å²	54	6%	0.062	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-44.4	173	0	0	0	0	0	112.7	C122 V123 W124 R130 I203	C122-G126 PolarHBondContact O-N 3.19Å; V123-G126 PolarHBondContact O-N 3.45Å; W124-G126 VanDerWaalsContact C-N 3.35Å; W124-G126 PolarHBondContact O-N 3.42Å; G126-R130 WeakPolarHBondContact O-CB 3.44Å; G126-R130 PolarHBondContact O-N 3.49Å; G126-I203 WeakPolarHBondContact O-CD1 3.18Å
127	Y	59.8	Low	63.7	Low	124 Å²	124	50.6 Å²	50.6	49%	0.486	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-47.9	175.3	-179.8	-96.4	0	0	0	112	V123 W124 I125 A129 R130 C131 I180	V123-Y127 PolarHBondContact O-N 3.37Å; W124-Y127 HydrophobicContact CE3-CD1 4.38Å; W124-Y127 HydrophobicContact CH2-CD1 4.08Å; W124-Y127 HydrophobicContact CH2-CE1 4.41Å; W124-Y127 AromaticContact CZ3-CD1 3.68Å; W124-Y127 HydrophobicContact CZ3-CD1 3.68Å; W124-Y127 HydrophobicContact CZ3-CE1 4.19Å; W124-Y127 WeakPolarHBondContact O-CB 3.4Å; W124-Y127 PolarHBondContact O-N 3.42Å; I125-Y127 VanDerWaalsContact C-N 3.32Å; I125-Y127 PolarHBondContact O-N 3.47Å; Y127-A129 PolarHBondContact O-N 3.17Å; Y127-R130 WeakPolarHBondContact O-CB 3.46Å; Y127-R130 PolarHBondContact O-N 3.14Å; Y127-C131 VanDerWaalsContact CE1-SG 3.52Å; Y127-C131 PolarHBondContact O-N 3.12Å; Y127-C131 PolarHBondContact O-SG 3.46Å; Y127-C131 VanDerWaalsContact O-SG 3.37Å; Y127-I180 HydrophobicContact CE1-CD1 4.43Å
128	R	62.9	Low	63.4	Low	47 Å²	47	48.8 Å²	48.8	18%	0.177	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-46	177.1	-71.3	-172.4	79	-155	11	112.2	E89 D90 W124 I125 R130 C131 R132	E89-R128 IonicContact OE2-CZ 2.87Å; E89-R128 IonicContact OE2-NH1 2.65Å; E89-R128 PolarHBondContact OE2-NH1 3.43Å; E89-R128 IonicContact OE2-NH2 3.79Å; E89-R128 PolarHBondContact OE2-NH2 3.28Å; D90-R128 IonicContact OD1-CZ 3.97Å; D90-R128 IonicContact OD1-NH1 3.72Å; D90-R128 PolarHBondContact OD1-NH1 2.9Å; W124-R128 HydrophobicContact CD2-CG 4.45Å; W124-R128 HydrophobicContact CH2-CG 4.24Å; W124-R128 HydrophobicContact CZ2-CG 3.71Å; W124-R128 PolarHBondContact O-N 3.48Å; I125-R128 PolarHBondContact O-N 3.02Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 2.78Å; R128-C131 WeakPolarHBondContact O-CB 3.48Å; R128-C131 PolarHBondContact O-N 3.29Å; R128-R132 WeakPolarHBondContact O-CG 3.38Å; R128-R132 PolarHBondContact O-N 2.96Å
129	A	62.9	Low	63.5	Low	5 Å²	5	50.1 Å²	50.1	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-44.5	176.4	0	0	0	0	0	110.8	V84 I125 Y127 R132 E133	V84-A129 HydrophobicContact CG1-CB 3.61Å; I125-A129 WeakPolarHBondContact O-CB 3.48Å; I125-A129 PolarHBondContact O-N 2.86Å; Y127-A129 PolarHBondContact O-N 3.17Å; A129-R132 PolarHBondContact O-N 2.97Å; A129-E133 WeakPolarHBondContact O-CG 3.18Å; A129-E133 PolarHBondContact O-N 3.4Å
130	R	62.1	Low	64	Low	87 Å²	87	55.4 Å²	55.4	33%	0.328	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-43.1	176	-176.6	56.1	175.9	171.5	-0.2	112.8	G126 Y127 R128 R132 E133 L134 I203	G126-R130 WeakPolarHBondContact O-CB 3.44Å; G126-R130 PolarHBondContact O-N 3.49Å; Y127-R130 WeakPolarHBondContact O-CB 3.46Å; Y127-R130 PolarHBondContact O-N 3.14Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 2.78Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.41Å; R130-E133 IonicContact NH1-OE2 3.45Å; R130-E133 PolarHBondContact NH1-OE2 2.89Å; R130-E133 PolarHBondContact O-N 2.88Å; R130-L134 HydrophobicContact CG-CD1 4.1Å; R130-L134 HydrophobicContact CG-CG 4.46Å; R130-L134 WeakPolarHBondContact O-CB 3.18Å; R130-L134 VanDerWaalsContact O-CG 3.31Å; R130-L134 WeakPolarHBondContact O-CG 3.4Å; R130-L134 PolarHBondContact O-N 3.44Å; R130-I203 HydrophobicContact CB-CD1 4.2Å
131	C	61.1	Low	64.3	Low	34 Å²	34	59.7 Å²	59.7	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-39.8	175.5	-71	0	0	0	0	111.8	Y127 R128 R135 T171	Y127-C131 VanDerWaalsContact CE1-SG 3.52Å; Y127-C131 PolarHBondContact O-N 3.12Å; Y127-C131 PolarHBondContact O-SG 3.46Å; Y127-C131 VanDerWaalsContact O-SG 3.37Å; R128-C131 WeakPolarHBondContact O-CB 3.48Å; R128-C131 PolarHBondContact O-N 3.29Å; C131-R135 WeakPolarHBondContact O-CB 3.4Å; C131-R135 PolarHBondContact O-N 3.21Å; C131-T171 HydrophobicContact CB-CG2 4.41Å
132	R	66.1	Low	64.3	Low	48 Å²	48	60.4 Å²	60.4	18%	0.181	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-48.6	174.8	-68.8	179.6	-162.8	-131.5	4.6	111.6	P85 G86 E89 R128 A129 R130 L134 R135 E136	P85-R132 HydrophobicContact CB-CB 4.03Å; P85-R132 WeakPolarHBondContact O-CD 3.37Å; G86-R132 VanDerWaalsContact CA-CZ 3.41Å; E89-R132 IonicContact OE1-CZ 3.34Å; E89-R132 IonicContact OE1-NH1 3.38Å; E89-R132 PolarHBondContact OE1-NH1 3.06Å; E89-R132 VanDerWaalsContact OE1-NH1 3.08Å; E89-R132 IonicContact OE1-NH2 2.7Å; E89-R132 PolarHBondContact OE1-NH2 3.19Å; E89-R132 IonicContact OE2-CZ 3.71Å; E89-R132 IonicContact OE2-NH2 2.77Å; E89-R132 PolarHBondContact OE2-NH2 3.23Å; R128-R132 WeakPolarHBondContact O-CG 3.38Å; R128-R132 PolarHBondContact O-N 2.96Å; A129-R132 PolarHBondContact O-N 2.97Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.41Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 3.27Å; R132-R135 PolarHBondContact O-N 3.5Å; R132-E136 WeakPolarHBondContact O-CG 3.34Å; R132-E136 PolarHBondContact O-N 3.29Å
133	E	65.5	Low	64.7	Low	60 Å²	60	62 Å²	62	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-56.8	-45.7	176	-71.8	-177.7	165.3	0	0	112.3	P85 A129 R130 E136 A137	P85-E133 HydrophobicContact CG-CG 4.07Å; A129-E133 WeakPolarHBondContact O-CG 3.18Å; A129-E133 PolarHBondContact O-N 3.4Å; R130-E133 IonicContact NH1-OE2 3.45Å; R130-E133 PolarHBondContact NH1-OE2 2.89Å; R130-E133 PolarHBondContact O-N 2.88Å; E133-E136 PolarHBondContact O-N 2.94Å; E133-A137 WeakPolarHBondContact O-CB 3.2Å; E133-A137 PolarHBondContact O-N 3.41Å
134	L	63	Low	65.4	Low	90 Å²	90	63.8 Å²	63.8	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-40.2	179.4	-72.6	174.7	0	0	0	111.6	R130 R132 A137 A138	R130-L134 HydrophobicContact CG-CD1 4.1Å; R130-L134 HydrophobicContact CG-CG 4.46Å; R130-L134 WeakPolarHBondContact O-CB 3.18Å; R130-L134 VanDerWaalsContact O-CG 3.31Å; R130-L134 WeakPolarHBondContact O-CG 3.4Å; R130-L134 PolarHBondContact O-N 3.44Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 3.27Å; L134-A137 PolarHBondContact O-N 3.01Å; L134-A138 WeakPolarHBondContact O-CB 3.21Å; L134-A138 PolarHBondContact O-N 3.25Å
135	R	62.2	Low	65.5	Low	79 Å²	79	65.2 Å²	65.2	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-47.7	173.7	171.6	171.3	169	-139	-9.7	111.3	C131 R132 A137 A138 I139 L167 D168 T171	C131-R135 WeakPolarHBondContact O-CB 3.4Å; C131-R135 PolarHBondContact O-N 3.21Å; R132-R135 PolarHBondContact O-N 3.5Å; R135-A137 VanDerWaalsContact C-N 3.34Å; R135-A137 PolarHBondContact O-N 3.37Å; R135-A138 PolarHBondContact O-N 2.96Å; R135-I139 HydrophobicContact CG-CD1 3.75Å; R135-I139 HydrophobicContact CG-CG1 4.43Å; R135-I139 VanDerWaalsContact O-CG1 3.29Å; R135-I139 WeakPolarHBondContact O-CG1 3.28Å; R135-I139 PolarHBondContact O-N 3.38Å; R135-L167 HydrophobicContact CG-CB 4.31Å; R135-D168 IonicContact CZ-OD1 2.78Å; R135-D168 IonicContact NE-OD1 2.73Å; R135-D168 PolarHBondContact NE-OD1 3.5Å; R135-D168 IonicContact NH1-OD1 3.15Å; R135-D168 VanDerWaalsContact NH2-CG 3.31Å; R135-D168 IonicContact NH2-OD1 3.81Å; R135-D168 PolarHBondContact NH2-OD1 3.47Å; R135-D168 IonicContact NH2-OD2 3.45Å; R135-T171 HydrophobicContact CB-CG2 4.04Å; R135-T171 WeakPolarHBondContact CD-OG1 3.42Å; R135-T171 HydrophobicContact CG-CG2 4.44Å; R135-T171 PolarHBondContact NH1-OG1 3.3Å
136	E	71.9	Confident	65.6	Low	121 Å²	121	65.3 Å²	65.3	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-60.7	-43.4	177.5	-73.7	178.1	-174.6	0	0	111.9	R132 E133 I139 K140	R132-E136 WeakPolarHBondContact O-CG 3.34Å; R132-E136 PolarHBondContact O-N 3.29Å; E133-E136 PolarHBondContact O-N 2.94Å; E136-I139 PolarHBondContact O-N 3.3Å; E136-K140 WeakPolarHBondContact O-CB 3.4Å; E136-K140 PolarHBondContact O-N 2.74Å
137	A	68.7	Low	66.2	Low	57 Å²	57	74.8 Å²	74.8	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-43.2	175.4	0	0	0	0	0	112	E133 L134 R135 K140 K141	E133-A137 WeakPolarHBondContact O-CB 3.2Å; E133-A137 PolarHBondContact O-N 3.41Å; L134-A137 PolarHBondContact O-N 3.01Å; R135-A137 VanDerWaalsContact C-N 3.34Å; R135-A137 PolarHBondContact O-N 3.37Å; A137-K140 PolarHBondContact O-N 3.1Å; A137-K141 PolarHBondContact O-N 3.11Å
138	A	60.4	Low	66.9	Low	35 Å²	35	75.2 Å²	75.2	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-46.6	176.7	0	0	0	0	0	111.6	L134 R135 K140 K141 L142 L167	L134-A138 WeakPolarHBondContact O-CB 3.21Å; L134-A138 PolarHBondContact O-N 3.25Å; R135-A138 PolarHBondContact O-N 2.96Å; A138-K140 VanDerWaalsContact C-N 3.34Å; A138-K140 PolarHBondContact O-N 2.9Å; A138-K141 PolarHBondContact O-N 3.42Å; A138-K141 VanDerWaalsContact O-N 3.17Å; A138-L142 WeakPolarHBondContact O-CG 3.3Å; A138-L142 PolarHBondContact O-N 3.15Å; A138-L167 HydrophobicContact CB-CD1 3.88Å
139	I	68.8	Low	66.9	Low	37 Å²	37	75.5 Å²	75.5	19%	0.19	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-43.1	176.6	-68.9	170	0	0	0	110.9	R135 E136 K141 L142 N143 R164 L167	R135-I139 HydrophobicContact CG-CD1 3.75Å; R135-I139 HydrophobicContact CG-CG1 4.43Å; R135-I139 VanDerWaalsContact O-CG1 3.29Å; R135-I139 WeakPolarHBondContact O-CG1 3.28Å; R135-I139 PolarHBondContact O-N 3.38Å; E136-I139 PolarHBondContact O-N 3.3Å; I139-K141 VanDerWaalsContact C-N 3.31Å; I139-K141 PolarHBondContact O-N 2.88Å; I139-L142 PolarHBondContact O-N 2.93Å; I139-N143 WeakPolarHBondContact O-CB 3.31Å; I139-N143 VanDerWaalsContact O-CG 3.25Å; I139-N143 PolarHBondContact O-N 3.41Å; I139-N143 PolarHBondContact O-ND2 2.97Å; I139-R164 HydrophobicContact CG1-CG 4.37Å; I139-L167 HydrophobicContact CG1-CD1 4.23Å
140	K	72.4	Confident	66.8	Low	163 Å²	163	77.8 Å²	77.8	71%	0.709	39%	0.394	S	S	*	.	H	α-helix	trans	-60.1	-42.4	175.7	-171.9	177.1	-177.9	178.1	0	111.3	E136 A137 A138 N143 Q144	E136-K140 WeakPolarHBondContact O-CB 3.4Å; E136-K140 PolarHBondContact O-N 2.74Å; A137-K140 PolarHBondContact O-N 3.1Å; A138-K140 VanDerWaalsContact C-N 3.34Å; A138-K140 PolarHBondContact O-N 2.9Å; K140-N143 PolarHBondContact O-N 3.36Å; K140-Q144 PolarHBondContact O-N 2.88Å
141	K	67.6	Low	66.5	Low	107 Å²	107	74.9 Å²	74.9	47%	0.465	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-42.7	177.1	-172.5	63.2	179.6	-179.6	0	112.1	A137 A138 I139 N143 Q144 L145	A137-K141 PolarHBondContact O-N 3.11Å; A138-K141 PolarHBondContact O-N 3.42Å; A138-K141 VanDerWaalsContact O-N 3.17Å; I139-K141 VanDerWaalsContact C-N 3.31Å; I139-K141 PolarHBondContact O-N 2.88Å; K141-N143 VanDerWaalsContact C-N 3.35Å; K141-N143 PolarHBondContact O-N 3.41Å; K141-Q144 WeakPolarHBondContact O-CB 3.49Å; K141-Q144 PolarHBondContact O-N 2.7Å; K141-L145 HydrophobicContact CG-CD1 4.4Å; K141-L145 WeakPolarHBondContact O-CG 3.24Å; K141-L145 PolarHBondContact O-N 3.4Å
142	L	64.6	Low	66.4	Low	25 Å²	25	79.6 Å²	79.6	13%	0.131	41%	0.414	C	S	.	.	H	α-helix	trans	-60.5	-44.2	175.1	-71.4	168.1	0	0	0	111.6	A138 I139 Q144 L145 S146 I160 I163 L167	A138-L142 WeakPolarHBondContact O-CG 3.3Å; A138-L142 PolarHBondContact O-N 3.15Å; I139-L142 PolarHBondContact O-N 2.93Å; L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 3.38Å; L142-L145 PolarHBondContact O-N 2.95Å; L142-S146 PolarHBondContact O-N 2.95Å; L142-I160 HydrophobicContact CB-CG1 4.3Å; L142-I160 HydrophobicContact CB-CG2 4.16Å; L142-I160 HydrophobicContact CD2-CG1 4.46Å; L142-I160 WeakPolarHBondContact O-CD1 3.16Å; L142-I163 HydrophobicContact CD1-CB 4.01Å; L142-I163 HydrophobicContact CD1-CG2 3.49Å; L142-I163 VanDerWaalsContact CD1-CG2 3.49Å; L142-I163 HydrophobicContact CD2-CD1 3.82Å; L142-I163 HydrophobicContact CD2-CG2 4.35Å; L142-L167 HydrophobicContact CD1-CD1 4.36Å
143	N	72.3	Confident	66.4	Low	52 Å²	52	79.2 Å²	79.2	28%	0.278	42%	0.418	S	S	.	.	H	α-helix	trans	-63.9	-38.1	175.8	-69.8	-21	0	0	0	112	I139 K140 K141 S146 R147 R164	I139-N143 WeakPolarHBondContact O-CB 3.31Å; I139-N143 VanDerWaalsContact O-CG 3.25Å; I139-N143 PolarHBondContact O-N 3.41Å; I139-N143 PolarHBondContact O-ND2 2.97Å; K140-N143 PolarHBondContact O-N 3.36Å; K141-N143 VanDerWaalsContact C-N 3.35Å; K141-N143 PolarHBondContact O-N 3.41Å; N143-S146 WeakPolarHBondContact O-CB 3.44Å; N143-S146 PolarHBondContact O-N 2.82Å; N143-R147 WeakPolarHBondContact O-CG 3.22Å; N143-R147 PolarHBondContact O-N 3.02Å; N143-R147 VanDerWaalsContact O-N 3.15Å; N143-R164 PolarHBondContact OD1-NH2 3.04Å
144	Q	73.3	Confident	66.7	Low	91 Å²	91	80.7 Å²	80.7	43%	0.425	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-47.4	174.3	-173.6	-174.9	20.3	0	0	111.4	K140 K141 L142 S146 R147 Q148	K140-Q144 PolarHBondContact O-N 2.88Å; K141-Q144 WeakPolarHBondContact O-CB 3.49Å; K141-Q144 PolarHBondContact O-N 2.7Å; L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 3.38Å; Q144-S146 VanDerWaalsContact C-N 3.31Å; Q144-S146 PolarHBondContact O-N 3.04Å; Q144-R147 PolarHBondContact O-N 3.36Å; Q144-Q148 WeakPolarHBondContact O-CG 3.38Å; Q144-Q148 PolarHBondContact O-N 2.99Å
145	L	65.8	Low	67.1	Low	83 Å²	83	83.8 Å²	83.8	44%	0.435	45%	0.445	S	S	.	.	H	α-helix	trans	-61.7	-39.2	176.8	-69.9	171.9	0	0	0	111.5	K141 L142 R147 Q148 A149	K141-L145 HydrophobicContact CG-CD1 4.4Å; K141-L145 WeakPolarHBondContact O-CG 3.24Å; K141-L145 PolarHBondContact O-N 3.4Å; L142-L145 PolarHBondContact O-N 2.95Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 2.9Å; L145-Q148 PolarHBondContact O-N 3.11Å; L145-A149 WeakPolarHBondContact O-CB 3.37Å; L145-A149 PolarHBondContact O-N 3.05Å
146	S	65.8	Low	67.1	Low	20 Å²	20	82.6 Å²	82.6	14%	0.14	45%	0.445	C	S	.	.	H	α-helix	trans	-56.2	-45.9	174.1	-160.4	0	0	0	0	112.6	L142 N143 Q144 A149 G151 I160	L142-S146 PolarHBondContact O-N 2.95Å; N143-S146 WeakPolarHBondContact O-CB 3.44Å; N143-S146 PolarHBondContact O-N 2.82Å; Q144-S146 VanDerWaalsContact C-N 3.31Å; Q144-S146 PolarHBondContact O-N 3.04Å; S146-A149 PolarHBondContact O-N 3.43Å; S146-G151 WeakPolarHBondContact O-CA 3.31Å; S146-G151 PolarHBondContact O-N 3.34Å; S146-I160 WeakPolarHBondContact OG-CD1 3.44Å
147	R	73.8	Confident	66.9	Low	206 Å²	206	82 Å²	82	78%	0.777	44%	0.44	S	S	*	.	H	α-helix	trans	-66.5	-41.9	178.5	-68.9	176	-171.6	-179.4	1.8	111.3	N143 Q144 L145 A149 G150	N143-R147 WeakPolarHBondContact O-CG 3.22Å; N143-R147 PolarHBondContact O-N 3.02Å; N143-R147 VanDerWaalsContact O-N 3.15Å; Q144-R147 PolarHBondContact O-N 3.36Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 2.9Å; R147-A149 VanDerWaalsContact C-N 3.33Å; R147-A149 PolarHBondContact O-N 3.43Å; R147-G150 PolarHBondContact O-N 3.05Å
148	Q	72.9	Confident	67	Low	132 Å²	132	84.6 Å²	84.6	62%	0.617	45%	0.446	S	S	*	.	H	α-helix	trans	-64.6	-36.7	178	-73.1	177.6	-21.9	0	0	112.4	Q144 L145 G150	Q144-Q148 WeakPolarHBondContact O-CG 3.38Å; Q144-Q148 PolarHBondContact O-N 2.99Å; L145-Q148 PolarHBondContact O-N 3.11Å; Q148-G150 PolarHBondContact O-N 3.42Å; Q148-G150 VanDerWaalsContact O-N 3.16Å
149	A	62.9	Low	67.2	Low	53 Å²	53	91.1 Å²	91.1	44%	0.438	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	20.6	179.2	0	0	0	0	0	114	L145 S146 R147 I156	L145-A149 WeakPolarHBondContact O-CB 3.37Å; L145-A149 PolarHBondContact O-N 3.05Å; S146-A149 PolarHBondContact O-N 3.43Å; R147-A149 VanDerWaalsContact C-N 3.33Å; R147-A149 PolarHBondContact O-N 3.43Å; A149-I156 HydrophobicContact CB-CD1 3.33Å
150	G	62.3	Low	66.9	Low	53 Å²	53	90 Å²	90	55%	0.546	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	10.2	173.2	0	0	0	0	0	115.8	R147 Q148 N152	R147-G150 PolarHBondContact O-N 3.05Å; Q148-G150 PolarHBondContact O-N 3.42Å; Q148-G150 VanDerWaalsContact O-N 3.16Å; G150-N152 PolarHBondContact O-N 3.49Å
151	G	55.2	Low	66.8	Low	26 Å²	26	86.3 Å²	86.3	27%	0.268	44%	0.442	S	S	.	.	S	Bend	trans	62.8	-11.9	164.9	0	0	0	0	0	118	S146 K157	S146-G151 WeakPolarHBondContact O-CA 3.31Å; S146-G151 PolarHBondContact O-N 3.34Å; G151-K157 WeakPolarHBondContact O-CE 3.27Å; G151-K157 PolarHBondContact O-NZ 3.45Å
152	N	59.1	Low	66.6	Low	133 Å²	133	84.4 Å²	84.4	71%	0.711	44%	0.44	S	S	*	.			trans	-124.3	0.3	-166.3	-77	-20.1	0	0	0	114.4	G150 P154	G150-N152 PolarHBondContact O-N 3.49Å; N152-P154 WeakPolarHBondContact O-CD 3.28Å
153	S	66.4	Low	66.5	Low	40 Å²	40	85.5 Å²	85.5	28%	0.28	45%	0.445	S	S	.	.			trans	-72.8	116.1	170	175	0	0	0	0	110	E155 I156 K157	S153-E155 PolarHBondContact O-N 3.31Å; S153-E155 PolarHBondContact OG-N 2.99Å; S153-I156 PolarHBondContact O-N 3.25Å; S153-K157 PolarHBondContact O-N 2.93Å
154	P	71.8	Confident	65.9	Low	92 Å²	92	86.4 Å²	86.4	60%	0.597	45%	0.445	S	S	*	.	H	α-helix	trans	-59.2	-32.1	176	-20.5	33.2	0	0	0	111.9	N152 K157 N158	N152-P154 WeakPolarHBondContact O-CD 3.28Å; P154-K157 PolarHBondContact O-N 3.05Å; P154-N158 WeakPolarHBondContact O-CB 3.45Å; P154-N158 VanDerWaalsContact O-CG 3.3Å; P154-N158 PolarHBondContact O-N 3.31Å
155	E	70.1	Confident	65.3	Low	154 Å²	154	88.6 Å²	88.6	72%	0.72	45%	0.453	S	S	*	.	H	α-helix	trans	-63.5	-42.8	178.3	-168.5	179.6	-178.8	0	0	111.7	S153 N158 R159	S153-E155 PolarHBondContact O-N 3.31Å; S153-E155 PolarHBondContact OG-N 2.99Å; E155-N158 PolarHBondContact O-N 3.45Å; E155-R159 WeakPolarHBondContact O-CB 3.38Å; E155-R159 PolarHBondContact O-N 3.34Å
156	I	63.7	Low	64.6	Low	55 Å²	55	89.9 Å²	89.9	28%	0.282	46%	0.457	S	S	.	.	H	α-helix	trans	-68.6	-40.7	177.7	-61.4	-178.6	0	0	0	110.7	A149 S153 R159 I160	A149-I156 HydrophobicContact CB-CD1 3.33Å; S153-I156 PolarHBondContact O-N 3.25Å; I156-R159 PolarHBondContact O-N 2.95Å; I156-I160 HydrophobicContact CG2-CD1 3.9Å; I156-I160 VanDerWaalsContact O-CG1 3.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3.28Å
157	K	66.1	Low	63.9	Low	108 Å²	108	90.6 Å²	90.6	47%	0.47	46%	0.459	S	S	.	.	H	α-helix	trans	-61.3	-47	174.8	-71.2	-176.6	-178.5	173.2	0	111.3	G151 S153 P154 R159 I160 E161	G151-K157 WeakPolarHBondContact O-CE 3.27Å; G151-K157 PolarHBondContact O-NZ 3.45Å; S153-K157 PolarHBondContact O-N 2.93Å; P154-K157 PolarHBondContact O-N 3.05Å; K157-R159 VanDerWaalsContact C-N 3.33Å; K157-R159 PolarHBondContact O-N 2.88Å; K157-I160 PolarHBondContact O-N 2.9Å; K157-E161 WeakPolarHBondContact O-CB 3.34Å; K157-E161 PolarHBondContact O-N 3.01Å
158	N	70.9	Confident	63	Low	111 Å²	111	83.5 Å²	83.5	59%	0.594	44%	0.437	S	S	*	.	H	α-helix	trans	-60.7	-42.6	176.6	-76.2	-12	0	0	0	111.6	P154 E155 E161 T162	P154-N158 WeakPolarHBondContact O-CB 3.45Å; P154-N158 VanDerWaalsContact O-CG 3.3Å; P154-N158 PolarHBondContact O-N 3.31Å; E155-N158 PolarHBondContact O-N 3.45Å; N158-E161 PolarHBondContact O-N 2.72Å; N158-T162 PolarHBondContact O-N 3.29Å; N158-T162 PolarHBondContact O-OG1 3.13Å; N158-T162 VanDerWaalsContact O-OG1 3.08Å
159	R	65.9	Low	61.9	Low	173 Å²	173	79.9 Å²	79.9	65%	0.653	43%	0.429	S	S	*	.	H	α-helix	trans	-65.2	-41.7	178.8	-166.9	67.7	179.1	-166.5	2.2	112.2	E155 I156 K157 E161 T162 I163	E155-R159 WeakPolarHBondContact O-CB 3.38Å; E155-R159 PolarHBondContact O-N 3.34Å; I156-R159 PolarHBondContact O-N 2.95Å; K157-R159 VanDerWaalsContact C-N 3.33Å; K157-R159 PolarHBondContact O-N 2.88Å; R159-E161 VanDerWaalsContact C-N 3.34Å; R159-T162 PolarHBondContact O-N 3.25Å; R159-I163 HydrophobicContact CG-CD1 4.16Å; R159-I163 VanDerWaalsContact O-CG1 3.26Å; R159-I163 WeakPolarHBondContact O-CG1 3.43Å; R159-I163 PolarHBondContact O-N 3.05Å
160	I	63.2	Low	61	Low	13 Å²	13	83.9 Å²	83.9	7%	0.067	44%	0.443	C	S	.	.	H	α-helix	trans	-63	-42.8	176.1	-70.7	168.8	0	0	0	110.8	L142 S146 I156 K157 I163 R164	L142-I160 HydrophobicContact CB-CG1 4.3Å; L142-I160 HydrophobicContact CB-CG2 4.16Å; L142-I160 HydrophobicContact CD2-CG1 4.46Å; L142-I160 WeakPolarHBondContact O-CD1 3.16Å; S146-I160 WeakPolarHBondContact OG-CD1 3.44Å; I156-I160 HydrophobicContact CG2-CD1 3.9Å; I156-I160 VanDerWaalsContact O-CG1 3.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3.28Å; K157-I160 PolarHBondContact O-N 2.9Å; I160-I163 PolarHBondContact O-N 2.89Å; I160-R164 HydrophobicContact CG2-CG 4.46Å; I160-R164 WeakPolarHBondContact O-CG 3.45Å; I160-R164 PolarHBondContact O-N 3.38Å
161	E	68.6	Low	60.3	Low	85 Å²	85	82.9 Å²	82.9	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-66	-39	178.9	-166.3	57.3	-153.4	0	0	112	K157 N158 R159 R164 K165	K157-E161 WeakPolarHBondContact O-CB 3.34Å; K157-E161 PolarHBondContact O-N 3.01Å; N158-E161 PolarHBondContact O-N 2.72Å; R159-E161 VanDerWaalsContact C-N 3.34Å; E161-R164 WeakPolarHBondContact O-CB 3.4Å; E161-R164 PolarHBondContact O-N 2.98Å; E161-R164 WeakPolarHBondContact OE2-CD 3.35Å; E161-R164 IonicContact OE2-NH1 3.14Å; E161-R164 PolarHBondContact OE2-NH1 3.39Å; E161-R164 VanDerWaalsContact OE2-NH1 3.14Å; E161-K165 WeakPolarHBondContact O-CG 3.49Å; E161-K165 PolarHBondContact O-N 3.38Å
162	T	64.9	Low	59.8	Low	68 Å²	68	85.7 Å²	85.7	42%	0.417	44%	0.441	S	S	.	.	H	α-helix	trans	-60.5	-45.5	171.3	-62.1	0	0	0	0	111.8	N158 R159 R164 K165 Q166	N158-T162 PolarHBondContact O-N 3.29Å; N158-T162 PolarHBondContact O-OG1 3.13Å; N158-T162 VanDerWaalsContact O-OG1 3.08Å; R159-T162 PolarHBondContact O-N 3.25Å; T162-R164 VanDerWaalsContact C-N 3.33Å; T162-R164 PolarHBondContact O-N 3.4Å; T162-K165 PolarHBondContact O-N 3.41Å; T162-Q166 WeakPolarHBondContact O-CG 3.48Å; T162-Q166 PolarHBondContact O-N 3.22Å
163	I	61.1	Low	58.9	Low	47 Å²	47	83.1 Å²	83.1	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-65.9	-37.8	178.7	-64.2	163.8	0	0	0	110.7	L142 R159 I160 Q166 L167	L142-I163 HydrophobicContact CD1-CB 4.01Å; L142-I163 HydrophobicContact CD1-CG2 3.49Å; L142-I163 VanDerWaalsContact CD1-CG2 3.49Å; L142-I163 HydrophobicContact CD2-CD1 3.82Å; L142-I163 HydrophobicContact CD2-CG2 4.35Å; R159-I163 HydrophobicContact CG-CD1 4.16Å; R159-I163 VanDerWaalsContact O-CG1 3.26Å; R159-I163 WeakPolarHBondContact O-CG1 3.43Å; R159-I163 PolarHBondContact O-N 3.05Å; I160-I163 PolarHBondContact O-N 2.89Å; I163-Q166 PolarHBondContact O-N 3.21Å; I163-L167 HydrophobicContact CG2-CD1 4.1Å; I163-L167 HydrophobicContact CG2-CG 4.32Å; I163-L167 WeakPolarHBondContact O-CG 3.43Å; I163-L167 PolarHBondContact O-N 3.29Å
164	R	60.2	Low	57.9	Low	72 Å²	72	83 Å²	83	27%	0.272	43%	0.432	S	S	.	.	H	α-helix	trans	-58.7	-50.2	173.1	-76.2	172	178.3	-179.4	-3.4	111.4	I139 N143 I160 E161 T162 Q166 L167 D168	I139-R164 HydrophobicContact CG1-CG 4.37Å; N143-R164 PolarHBondContact OD1-NH2 3.04Å; I160-R164 HydrophobicContact CG2-CG 4.46Å; I160-R164 WeakPolarHBondContact O-CG 3.45Å; I160-R164 PolarHBondContact O-N 3.38Å; E161-R164 WeakPolarHBondContact O-CB 3.4Å; E161-R164 PolarHBondContact O-N 2.98Å; E161-R164 WeakPolarHBondContact OE2-CD 3.35Å; E161-R164 IonicContact OE2-NH1 3.14Å; E161-R164 PolarHBondContact OE2-NH1 3.39Å; E161-R164 VanDerWaalsContact OE2-NH1 3.14Å; T162-R164 VanDerWaalsContact C-N 3.33Å; T162-R164 PolarHBondContact O-N 3.4Å; R164-Q166 VanDerWaalsContact C-N 3.27Å; R164-Q166 PolarHBondContact O-N 2.88Å; R164-L167 CarbonylContact O-C 3.59Å; R164-L167 PolarHBondContact O-N 3.39Å; R164-L167 VanDerWaalsContact O-N 3.12Å; R164-D168 WeakPolarHBondContact O-CB 3.36Å; R164-D168 PolarHBondContact O-N 3.14Å; R164-D168 VanDerWaalsContact O-OD1 3.1Å
165	K	60.7	Low	56.1	Low	136 Å²	136	82.2 Å²	82.2	59%	0.591	43%	0.426	S	S	*	.	H	α-helix	trans	-59	-37.2	176.4	-71	-179.7	-179.9	-177.7	0	112.8	E161 T162 D168 A169	E161-K165 WeakPolarHBondContact O-CG 3.49Å; E161-K165 PolarHBondContact O-N 3.38Å; T162-K165 PolarHBondContact O-N 3.41Å; K165-D168 PolarHBondContact O-N 3.12Å; K165-A169 WeakPolarHBondContact O-CB 3.5Å; K165-A169 PolarHBondContact O-N 3.27Å
166	Q	51	Low	54.5	Low	110 Å²	110	81 Å²	81	51%	0.514	43%	0.431	S	S	.	.	H	α-helix	trans	-67	-43.2	174.9	-72	176.2	-33.9	0	0	112	T162 I163 R164 D168 A169 L170	T162-Q166 WeakPolarHBondContact O-CG 3.48Å; T162-Q166 PolarHBondContact O-N 3.22Å; I163-Q166 PolarHBondContact O-N 3.21Å; R164-Q166 VanDerWaalsContact C-N 3.27Å; R164-Q166 PolarHBondContact O-N 2.88Å; Q166-D168 VanDerWaalsContact C-N 3.31Å; Q166-A169 PolarHBondContact O-N 2.92Å; Q166-L170 WeakPolarHBondContact O-CB 3.21Å; Q166-L170 VanDerWaalsContact O-CG 3.27Å; Q166-L170 WeakPolarHBondContact O-CG 3.44Å; Q166-L170 PolarHBondContact O-N 3.07Å
167	L	50.2	Low	53.1	Low	35 Å²	35	85.9 Å²	85.9	18%	0.183	46%	0.458	C	S	.	.	H	α-helix	trans	-64.7	-36.9	174.2	-71.1	171.6	0	0	0	111.8	R135 A138 I139 L142 I163 R164 L170 T171	R135-L167 HydrophobicContact CG-CB 4.31Å; A138-L167 HydrophobicContact CB-CD1 3.88Å; I139-L167 HydrophobicContact CG1-CD1 4.23Å; L142-L167 HydrophobicContact CD1-CD1 4.36Å; I163-L167 HydrophobicContact CG2-CD1 4.1Å; I163-L167 HydrophobicContact CG2-CG 4.32Å; I163-L167 WeakPolarHBondContact O-CG 3.43Å; I163-L167 PolarHBondContact O-N 3.29Å; R164-L167 CarbonylContact O-C 3.59Å; R164-L167 PolarHBondContact O-N 3.39Å; R164-L167 VanDerWaalsContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 3.03Å; L167-T171 WeakPolarHBondContact O-CB 3.35Å; L167-T171 WeakPolarHBondContact O-CG2 3.43Å; L167-T171 PolarHBondContact O-N 2.93Å; L167-T171 PolarHBondContact O-OG1 3.38Å
168	D	54.9	Low	51.6	Low	58 Å²	58	81.6 Å²	81.6	31%	0.31	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-51.2	175.2	-68.2	2	0	0	0	109.4	R135 R164 K165 Q166 L170 T171 S172	R135-D168 IonicContact CZ-OD1 2.78Å; R135-D168 IonicContact NE-OD1 2.73Å; R135-D168 PolarHBondContact NE-OD1 3.5Å; R135-D168 IonicContact NH1-OD1 3.15Å; R135-D168 VanDerWaalsContact NH2-CG 3.31Å; R135-D168 IonicContact NH2-OD1 3.81Å; R135-D168 PolarHBondContact NH2-OD1 3.47Å; R135-D168 IonicContact NH2-OD2 3.45Å; R164-D168 WeakPolarHBondContact O-CB 3.36Å; R164-D168 PolarHBondContact O-N 3.14Å; R164-D168 VanDerWaalsContact O-OD1 3.1Å; K165-D168 PolarHBondContact O-N 3.12Å; Q166-D168 VanDerWaalsContact C-N 3.31Å; D168-L170 VanDerWaalsContact C-N 3.3Å; D168-L170 PolarHBondContact O-N 3.44Å; D168-T171 CarbonylContact O-C 3.58Å; D168-T171 PolarHBondContact O-N 3.28Å; D168-T171 PolarHBondContact O-OG1 3.41Å; D168-S172 VanDerWaalsContact O-CB 3.26Å; D168-S172 WeakPolarHBondContact O-CB 3.45Å; D168-S172 PolarHBondContact O-N 2.89Å; D168-S172 PolarHBondContact O-OG 3.26Å
169	A	50.1	Low	49.7	Very low	56 Å²	56	83 Å²	83	46%	0.463	46%	0.459	S	S	.	.	H	α-helix	trans	-58.2	-38.4	176.4	0	0	0	0	0	113.4	K165 Q166 T171 S172	K165-A169 WeakPolarHBondContact O-CB 3.5Å; K165-A169 PolarHBondContact O-N 3.27Å; Q166-A169 PolarHBondContact O-N 2.92Å; A169-T171 VanDerWaalsContact C-N 3.32Å; A169-S172 WeakPolarHBondContact CA-OG 3.06Å; A169-S172 PolarHBondContact O-OG 2.86Å
170	L	44.9	Very low	48.2	Very low	137 Å²	137	77.6 Å²	77.6	72%	0.717	44%	0.443	S	S	*	.	H	α-helix	trans	-70.6	-25.9	176.7	-72	170.1	0	0	0	113.2	Q166 L167 D168	Q166-L170 WeakPolarHBondContact O-CB 3.21Å; Q166-L170 VanDerWaalsContact O-CG 3.27Å; Q166-L170 WeakPolarHBondContact O-CG 3.44Å; Q166-L170 PolarHBondContact O-N 3.07Å; L167-L170 PolarHBondContact O-N 3.03Å; D168-L170 VanDerWaalsContact C-N 3.3Å; D168-L170 PolarHBondContact O-N 3.44Å
171	T	47.9	Very low	46.9	Very low	31 Å²	31	81 Å²	81	19%	0.19	46%	0.462	C	S	.	.	H	α-helix	trans	-102	-23.5	-177.7	55.6	0	0	0	0	114	C131 R135 L167 D168 A169	C131-T171 HydrophobicContact CB-CG2 4.41Å; R135-T171 HydrophobicContact CB-CG2 4.04Å; R135-T171 WeakPolarHBondContact CD-OG1 3.42Å; R135-T171 HydrophobicContact CG-CG2 4.44Å; R135-T171 PolarHBondContact NH1-OG1 3.3Å; L167-T171 WeakPolarHBondContact O-CB 3.35Å; L167-T171 WeakPolarHBondContact O-CG2 3.43Å; L167-T171 PolarHBondContact O-N 2.93Å; L167-T171 PolarHBondContact O-OG1 3.38Å; D168-T171 CarbonylContact O-C 3.58Å; D168-T171 PolarHBondContact O-N 3.28Å; D168-T171 PolarHBondContact O-OG1 3.41Å; A169-T171 VanDerWaalsContact C-N 3.32Å
172	S	44.6	Very low	45.4	Very low	86 Å²	86	81.5 Å²	81.5	60%	0.601	47%	0.467	S	S	*	.	H	α-helix	trans	-79.5	-19.7	176.4	61.7	0	0	0	0	112.8	D168 A169 P174	D168-S172 VanDerWaalsContact O-CB 3.26Å; D168-S172 WeakPolarHBondContact O-CB 3.45Å; D168-S172 PolarHBondContact O-N 2.89Å; D168-S172 PolarHBondContact O-OG 3.26Å; A169-S172 WeakPolarHBondContact CA-OG 3.06Å; A169-S172 PolarHBondContact O-OG 2.86Å; S172-P174 VanDerWaalsContact C-CD 3.46Å
173	S	38.8	Very low	43.8	Very low	79 Å²	79	88.5 Å²	88.5	55%	0.552	49%	0.485	S	S	*	.			trans	-119.1	71.8	-173.3	-64.9	0	0	0	0	114.2
174	P	46.9	Very low	42.6	Very low	37 Å²	37	88.7 Å²	88.7	24%	0.24	49%	0.487	C	S	.	.			trans	-97.3	80.5	137.6	34.7	-26.2	0	0	0	108.5	W124 S172 I180	W124-P174 HydrophobicContact CH2-CB 3.12Å; W124-P174 HydrophobicContact CH2-CG 3.67Å; W124-P174 HydrophobicContact CZ2-CB 3.27Å; W124-P174 HydrophobicContact CZ2-CG 3.41Å; W124-P174 VanDerWaalsContact CZ2-CG 3.41Å; W124-P174 HydrophobicContact CZ3-CB 4.38Å; S172-P174 VanDerWaalsContact C-CD 3.46Å; P174-I180 HydrophobicContact CB-CD1 4.06Å
175	T	34.2	Very low	41.7	Very low	76 Å²	76	90 Å²	90	47%	0.466	51%	0.505	S	S	.	.			trans	-60	137	166.3	43.7	0	0	0	0	108.2	N177 G178	T175-N177 PolarHBondContact O-N 3.34Å; T175-G178 PolarHBondContact O-N 2.89Å; T175-G178 VanDerWaalsContact OG1-CA 3.22Å; T175-G178 WeakPolarHBondContact OG1-CA 3.28Å; T175-G178 PolarHBondContact OG1-N 3.48Å
176	P	35.4	Very low	40.8	Very low	128 Å²	128	86.4 Å²	86.4	83%	0.831	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-17.6	171.4	-25.1	33	0	0	0	113.9
177	N	35.5	Very low	40.4	Very low	157 Å²	157	82.6 Å²	82.6	84%	0.84	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	6.2	-178.4	-61.3	-34.3	0	0	0	114.5	T175	T175-N177 PolarHBondContact O-N 3.34Å
178	G	32.8	Very low	40	Very low	19 Å²	19	84.3 Å²	84.3	20%	0.196	48%	0.477	C	S	.	.	S	Bend	trans	-104.3	158.8	172.2	0	0	0	0	0	109.3	T175 I180	T175-G178 PolarHBondContact O-N 2.89Å; T175-G178 VanDerWaalsContact OG1-CA 3.22Å; T175-G178 WeakPolarHBondContact OG1-CA 3.28Å; T175-G178 PolarHBondContact OG1-N 3.48Å; G178-I180 VanDerWaalsContact C-N 3.26Å; G178-I180 PolarHBondContact O-N 3.4Å
179	P	31.3	Very low	39.2	Very low	139 Å²	139	86.8 Å²	86.8	90%	0.903	48%	0.482	S	S	*	.	S	Bend	trans	-67.6	77.3	-154.3	28.3	-35.4	0	0	0	114.2
180	I	36	Very low	38.6	Very low	60 Å²	60	90.2 Å²	90.2	31%	0.308	48%	0.483	S	S	.	.			trans	-138.8	61.9	158.5	-51.2	-178.2	0	0	0	103.8	W124 Y127 P174 G178 N182 Y187	W124-I180 HydrophobicContact CE3-CG2 4.32Å; W124-I180 HydrophobicContact CH2-CD1 3.55Å; W124-I180 HydrophobicContact CZ3-CD1 3.47Å; W124-I180 VanDerWaalsContact CZ3-CD1 3.47Å; W124-I180 HydrophobicContact CZ3-CG2 3.89Å; Y127-I180 HydrophobicContact CE1-CD1 4.43Å; P174-I180 HydrophobicContact CB-CD1 4.06Å; G178-I180 VanDerWaalsContact C-N 3.26Å; G178-I180 PolarHBondContact O-N 3.4Å; I180-N182 PolarHBondContact O-N 3.4Å; I180-N182 VanDerWaalsContact O-N 3.17Å; I180-Y187 HydrophobicContact CG2-CE2 3.95Å
181	N	35.1	Very low	38.3	Very low	86 Å²	86	85.8 Å²	85.8	46%	0.46	46%	0.462	S	S	.	.			trans	-75.3	103.8	176.9	-173.6	7.3	0	0	0	107.2	R183 D184	N181-R183 PolarHBondContact O-N 3.09Å; N181-R183 WeakPolarHBondContact OD1-CA 3.39Å; N181-R183 WeakPolarHBondContact OD1-CB 3.36Å; N181-R183 WeakPolarHBondContact OD1-CG 3.33Å; N181-R183 PolarHBondContact OD1-N 3.23Å; N181-D184 HydrophobicContact CB-CB 4.29Å; N181-D184 WeakPolarHBondContact O-CB 3.49Å; N181-D184 PolarHBondContact O-N 3.49Å
182	N	36.6	Very low	37.7	Very low	95 Å²	95	86.2 Å²	86.2	51%	0.508	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-2.3	170.4	61.2	-2.6	0	0	0	113.1	I180	I180-N182 PolarHBondContact O-N 3.4Å; I180-N182 VanDerWaalsContact O-N 3.17Å
183	R	32.1	Very low	37.2	Very low	214 Å²	214	88.4 Å²	88.4	81%	0.808	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0.6	166.8	-47.6	179.8	164	171	-1.6	113.9	N181 P185	N181-R183 PolarHBondContact O-N 3.09Å; N181-R183 WeakPolarHBondContact OD1-CA 3.39Å; N181-R183 WeakPolarHBondContact OD1-CB 3.36Å; N181-R183 WeakPolarHBondContact OD1-CG 3.33Å; N181-R183 PolarHBondContact OD1-N 3.23Å; R183-P185 VanDerWaalsContact O-CD 3.31Å; R183-P185 WeakPolarHBondContact O-CD 3.38Å
184	D	35.5	Very low	36.9	Very low	52 Å²	52	89.8 Å²	89.8	28%	0.278	47%	0.474	S	S	.	.			trans	-73.8	115.9	171.4	-173.6	-22.2	0	0	0	108.3	N181 D186 Y187 R190	N181-D184 HydrophobicContact CB-CB 4.29Å; N181-D184 WeakPolarHBondContact O-CB 3.49Å; N181-D184 PolarHBondContact O-N 3.49Å; D184-D186 PolarHBondContact O-N 3.34Å; D184-D186 VanDerWaalsContact O-N 3.07Å; D184-D186 VanDerWaalsContact OD1-CB 3.29Å; D184-D186 WeakPolarHBondContact OD1-CB 3.46Å; D184-D186 PolarHBondContact OD1-N 3.19Å; D184-Y187 WeakPolarHBondContact O-CB 3.35Å; D184-Y187 PolarHBondContact O-N 3.4Å; D184-R190 IonicContact OD1-NH2 2.61Å; D184-R190 IonicContact OD2-CZ 3.69Å; D184-R190 IonicContact OD2-NH2 2.94Å; D184-R190 PolarHBondContact OD2-NH2 3.4Å
185	P	40.7	Very low	35.9	Very low	100 Å²	100	92.8 Å²	92.8	65%	0.649	49%	0.493	S	S	*	.	H	α-helix	trans	-59.5	-18.8	178.6	22.9	-31.8	0	0	0	113	R183 Y187	R183-P185 VanDerWaalsContact O-CD 3.31Å; R183-P185 WeakPolarHBondContact O-CD 3.38Å; P185-Y187 VanDerWaalsContact C-N 3.33Å
186	D	41.9	Very low	35.7	Very low	59 Å²	59	95.3 Å²	95.3	32%	0.316	51%	0.508	S	S	.	.	H	α-helix	trans	-85.3	-7.8	174.8	-66.2	15	0	0	0	112.3	D184 R189 R190	D184-D186 PolarHBondContact O-N 3.34Å; D184-D186 VanDerWaalsContact O-N 3.07Å; D184-D186 VanDerWaalsContact OD1-CB 3.29Å; D184-D186 WeakPolarHBondContact OD1-CB 3.46Å; D184-D186 PolarHBondContact OD1-N 3.19Å; D186-R189 VanDerWaalsContact CG-CZ 3.48Å; D186-R189 IonicContact OD1-CZ 3.72Å; D186-R189 IonicContact OD1-NH1 2.84Å; D186-R189 PolarHBondContact OD1-NH1 3.36Å; D186-R189 IonicContact OD1-NH2 3.87Å; D186-R189 PolarHBondContact OD1-NH2 3.24Å; D186-R189 IonicContact OD2-CZ 2.6Å; D186-R189 IonicContact OD2-NH1 3.01Å; D186-R189 PolarHBondContact OD2-NH1 3.35Å; D186-R189 IonicContact OD2-NH2 3.07Å; D186-R190 WeakPolarHBondContact O-CB 3.49Å; D186-R190 WeakPolarHBondContact O-CG 3.41Å; D186-R190 PolarHBondContact O-N 3.22Å; D186-R190 PolarHBondContact O-NE 3.23Å; D186-R190 VanDerWaalsContact O-NE 3.1Å
187	Y	42.3	Very low	35.3	Very low	30 Å²	30	92.3 Å²	92.3	12%	0.118	49%	0.487	C	S	.	.	H	α-helix	trans	-62.2	-53.9	178.6	176.2	-102	0	0	0	111	I180 D184 P185 R189 R190 V191	I180-Y187 HydrophobicContact CG2-CE2 3.95Å; D184-Y187 WeakPolarHBondContact O-CB 3.35Å; D184-Y187 PolarHBondContact O-N 3.4Å; P185-Y187 VanDerWaalsContact C-N 3.33Å; Y187-R189 VanDerWaalsContact C-N 3.27Å; Y187-R189 PolarHBondContact O-N 3.2Å; Y187-R190 PolarHBondContact O-N 2.99Å; Y187-V191 HydrophobicContact CD1-CG2 4.31Å; Y187-V191 HydrophobicContact CD2-CG2 4.44Å; Y187-V191 HydrophobicContact CE1-CG2 3.97Å; Y187-V191 HydrophobicContact CE2-CG2 4.1Å; Y187-V191 WeakPolarHBondContact O-CB 3.29Å; Y187-V191 VanDerWaalsContact O-CG2 3.28Å; Y187-V191 WeakPolarHBondContact O-CG2 3.49Å; Y187-V191 PolarHBondContact O-N 3.03Å
188	W	42.1	Very low	35	Very low	71 Å²	71	90.5 Å²	90.5	27%	0.269	48%	0.484	S	S	.	.	H	α-helix	trans	-66.9	-30.8	-179.9	-67.4	109.3	0	0	0	112.5	P120 V191 G192 M233	P120-W188 HydrophobicContact CG-CH2 4.3Å; P120-W188 HydrophobicContact CG-CZ2 4.15Å; W188-V191 HydrophobicContact CE3-CG1 4.47Å; W188-G192 PolarHBondContact O-N 3.17Å; W188-M233 HydrophobicContact CB-CE 4.5Å
189	R	38.8	Very low	34.9	Very low	110 Å²	110	92 Å²	92	42%	0.415	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-51.2	171.5	-162.7	-168	-51.8	134.2	11.4	111.1	D186 Y187 V191 G192 E193 M233	D186-R189 VanDerWaalsContact CG-CZ 3.48Å; D186-R189 IonicContact OD1-CZ 3.72Å; D186-R189 IonicContact OD1-NH1 2.84Å; D186-R189 PolarHBondContact OD1-NH1 3.36Å; D186-R189 IonicContact OD1-NH2 3.87Å; D186-R189 PolarHBondContact OD1-NH2 3.24Å; D186-R189 IonicContact OD2-CZ 2.6Å; D186-R189 IonicContact OD2-NH1 3.01Å; D186-R189 PolarHBondContact OD2-NH1 3.35Å; D186-R189 IonicContact OD2-NH2 3.07Å; Y187-R189 VanDerWaalsContact C-N 3.27Å; Y187-R189 PolarHBondContact O-N 3.2Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 2.96Å; R189-G192 CarbonylContact O-C 3.57Å; R189-G192 WeakPolarHBondContact O-CA 2.94Å; R189-G192 PolarHBondContact O-N 2.81Å; R189-G192 VanDerWaalsContact O-N 3.11Å; R189-E193 VanDerWaalsContact O-CG 3.31Å; R189-E193 WeakPolarHBondContact O-CG 3.38Å; R189-E193 PolarHBondContact O-N 3.2Å; R189-M233 HydrophobicContact CB-CE 4.46Å
190	R	38.2	Very low	34.9	Very low	128 Å²	128	88.4 Å²	88.4	48%	0.483	47%	0.465	S	S	.	.	H	α-helix	trans	-64.9	-34.7	177.4	-74.5	177.9	-71.9	-170.1	-3.2	113.1	D184 D186 Y187 E193 L194	D184-R190 IonicContact OD1-NH2 2.61Å; D184-R190 IonicContact OD2-CZ 3.69Å; D184-R190 IonicContact OD2-NH2 2.94Å; D184-R190 PolarHBondContact OD2-NH2 3.4Å; D186-R190 WeakPolarHBondContact O-CB 3.49Å; D186-R190 WeakPolarHBondContact O-CG 3.41Å; D186-R190 PolarHBondContact O-N 3.22Å; D186-R190 PolarHBondContact O-NE 3.23Å; D186-R190 VanDerWaalsContact O-NE 3.1Å; Y187-R190 PolarHBondContact O-N 2.99Å; R190-E193 PolarHBondContact O-N 2.89Å; R190-L194 PolarHBondContact O-N 2.95Å
191	V	38.7	Very low	34.6	Very low	45 Å²	45	96 Å²	96	27%	0.273	49%	0.49	S	S	.	.	H	α-helix	trans	-67.4	-37.8	172.6	171.5	0	0	0	0	110.9	V123 Y187 W188 R189 E193	V123-V191 HydrophobicContact CG1-CG1 4.49Å; Y187-V191 HydrophobicContact CD1-CG2 4.31Å; Y187-V191 HydrophobicContact CD2-CG2 4.44Å; Y187-V191 HydrophobicContact CE1-CG2 3.97Å; Y187-V191 HydrophobicContact CE2-CG2 4.1Å; Y187-V191 WeakPolarHBondContact O-CB 3.29Å; Y187-V191 VanDerWaalsContact O-CG2 3.28Å; Y187-V191 WeakPolarHBondContact O-CG2 3.49Å; Y187-V191 PolarHBondContact O-N 3.03Å; W188-V191 HydrophobicContact CE3-CG1 4.47Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 2.96Å; V191-E193 VanDerWaalsContact C-N 3.34Å
192	G	34	Very low	34.5	Very low	39 Å²	39	98.5 Å²	98.5	40%	0.402	50%	0.496	S	S	.	.	H	α-helix	trans	-71.2	-23.9	174.7	0	0	0	0	0	114.5	W188 R189	W188-G192 PolarHBondContact O-N 3.17Å; R189-G192 CarbonylContact O-C 3.57Å; R189-G192 WeakPolarHBondContact O-CA 2.94Å; R189-G192 PolarHBondContact O-N 2.81Å; R189-G192 VanDerWaalsContact O-N 3.11Å
193	E	35.3	Very low	34.3	Very low	132 Å²	132	95.8 Å²	95.8	62%	0.617	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.8	177.1	-73.4	168.2	-172.7	0	0	113.6	R189 R190 V191 P195	R189-E193 VanDerWaalsContact O-CG 3.31Å; R189-E193 WeakPolarHBondContact O-CG 3.38Å; R189-E193 PolarHBondContact O-N 3.2Å; R190-E193 PolarHBondContact O-N 2.89Å; V191-E193 VanDerWaalsContact C-N 3.34Å; E193-P195 VanDerWaalsContact O-CD 3.3Å; E193-P195 WeakPolarHBondContact O-CD 3.46Å
194	L	31.8	Very low	34.2	Very low	109 Å²	109	87 Å²	87	57%	0.571	46%	0.458	S	S	*	.	S	Bend	trans	-67.1	118.1	178.7	-79.2	168.1	0	0	0	110	R190 V196	R190-L194 PolarHBondContact O-N 2.95Å; L194-V196 PolarHBondContact O-N 2.99Å; L194-V196 VanDerWaalsContact O-N 3.15Å
195	P	26.3	Very low	34.1	Very low	99 Å²	99	85.9 Å²	85.9	64%	0.643	46%	0.459	S	S	*	.			trans	-60.4	123.4	179.7	22.1	-30.9	0	0	0	109.6	E193 T197	E193-P195 VanDerWaalsContact O-CD 3.3Å; E193-P195 WeakPolarHBondContact O-CD 3.46Å; P195-T197 PolarHBondContact O-N 3.43Å
196	V	28.8	Very low	33.7	Very low	130 Å²	130	82.4 Å²	82.4	79%	0.788	44%	0.436	S	S	*	.			trans	-66.4	83.3	175.6	-175	0	0	0	0	108.4	L194	L194-V196 PolarHBondContact O-N 2.99Å; L194-V196 VanDerWaalsContact O-N 3.15Å
197	T	28	Very low	33.4	Very low	64 Å²	64	80.6 Å²	80.6	39%	0.393	43%	0.43	S	S	.	.			trans	-75.8	151.2	173.1	48	0	0	0	0	109.5	P195 S199 L200	P195-T197 PolarHBondContact O-N 3.43Å; T197-S199 PolarHBondContact O-N 3.43Å; T197-S199 PolarHBondContact OG1-OG 2.96Å; T197-S199 VanDerWaalsContact OG1-OG 3.1Å; T197-L200 PolarHBondContact O-N 2.82Å
198	P	28.1	Very low	33.2	Very low	120 Å²	120	83.5 Å²	83.5	78%	0.779	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-51.8	-23.5	-178.9	-27.9	34.6	0	0	0	114.8	L200 R201	P198-L200 VanDerWaalsContact C-N 3.28Å; P198-L200 PolarHBondContact O-N 3.44Å; P198-R201 WeakPolarHBondContact O-CB 3.27Å; P198-R201 PolarHBondContact O-N 2.86Å
199	S	31.1	Very low	33	Very low	51 Å²	51	83 Å²	83	36%	0.357	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-65.9	-21.4	174.7	31	0	0	0	0	114.8	T197 R201	T197-S199 PolarHBondContact O-N 3.43Å; T197-S199 PolarHBondContact OG1-OG 2.96Å; T197-S199 VanDerWaalsContact OG1-OG 3.1Å; S199-R201 PolarHBondContact O-N 3.19Å
200	L	31.6	Very low	33	Very low	63 Å²	63	78.5 Å²	78.5	33%	0.33	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-75.3	-6.9	173.2	-81.9	159.7	0	0	0	113	T197 P198 K202 I203 G204	T197-L200 PolarHBondContact O-N 2.82Å; P198-L200 VanDerWaalsContact C-N 3.28Å; P198-L200 PolarHBondContact O-N 3.44Å; L200-K202 PolarHBondContact O-N 2.76Å; L200-I203 HydrophobicContact CD2-CB 4.16Å; L200-I203 HydrophobicContact CD2-CD1 3.97Å; L200-I203 HydrophobicContact CD2-CG2 4.32Å; L200-I203 PolarHBondContact O-N 2.83Å; L200-G204 WeakPolarHBondContact O-CA 3.48Å; L200-G204 PolarHBondContact O-N 3.06Å
201	R	29.9	Very low	33	Very low	220 Å²	220	75.3 Å²	75.3	83%	0.83	42%	0.418	S	S	*	.	H	α-helix	trans	-62.1	-23.5	171.6	-90.4	-171.9	-173.9	-176.8	2.8	113.8	P198 S199 G205	P198-R201 WeakPolarHBondContact O-CB 3.27Å; P198-R201 PolarHBondContact O-N 2.86Å; S199-R201 PolarHBondContact O-N 3.19Å; R201-G205 VanDerWaalsContact O-CA 3.24Å; R201-G205 WeakPolarHBondContact O-CA 3.48Å; R201-G205 PolarHBondContact O-N 2.77Å
202	K	32.5	Very low	33	Very low	137 Å²	137	80.6 Å²	80.6	60%	0.596	43%	0.433	S	S	*	.	H	α-helix	trans	-78.7	-39.2	175.3	-84.1	-171.2	171.8	-169.6	0	112.8	L200 G205 C206	L200-K202 PolarHBondContact O-N 2.76Å; K202-G205 PolarHBondContact O-N 2.68Å; K202-C206 PolarHBondContact O-N 3.46Å; K202-C206 VanDerWaalsContact O-N 3.13Å; K202-C206 PolarHBondContact O-SG 2.85Å
203	I	33.9	Very low	33.3	Very low	38 Å²	38	82.5 Å²	82.5	20%	0.195	43%	0.431	C	S	.	.	H	α-helix	trans	-77.4	-47.6	178.3	-66.4	163.3	0	0	0	110.3	G126 R130 L200 G205 C206 A207	G126-I203 WeakPolarHBondContact O-CD1 3.18Å; R130-I203 HydrophobicContact CB-CD1 4.2Å; L200-I203 HydrophobicContact CD2-CB 4.16Å; L200-I203 HydrophobicContact CD2-CD1 3.97Å; L200-I203 HydrophobicContact CD2-CG2 4.32Å; L200-I203 PolarHBondContact O-N 2.83Å; I203-G205 PolarHBondContact O-N 2.99Å; I203-C206 PolarHBondContact O-N 3.02Å; I203-A207 PolarHBondContact O-N 3.44Å
204	G	29.7	Very low	33.5	Very low	31 Å²	31	76.8 Å²	76.8	32%	0.32	41%	0.405	S	S	.	.	H	α-helix	trans	-57.3	-34.9	166.5	0	0	0	0	0	111.2	L200 A207 E208	L200-G204 WeakPolarHBondContact O-CA 3.48Å; L200-G204 PolarHBondContact O-N 3.06Å; G204-A207 PolarHBondContact O-N 3.45Å; G204-E208 WeakPolarHBondContact O-CA 2.8Å; G204-E208 WeakPolarHBondContact O-CB 3.09Å; G204-E208 PolarHBondContact O-N 2.99Å
205	G	31.6	Very low	33.9	Very low	28 Å²	28	77.3 Å²	77.3	29%	0.289	41%	0.408	S	S	.	.	H	α-helix	trans	-66.4	-37.1	174.1	0	0	0	0	0	113.9	R201 K202 I203 F209	R201-G205 VanDerWaalsContact O-CA 3.24Å; R201-G205 WeakPolarHBondContact O-CA 3.48Å; R201-G205 PolarHBondContact O-N 2.77Å; K202-G205 PolarHBondContact O-N 2.68Å; I203-G205 PolarHBondContact O-N 2.99Å; G205-F209 WeakPolarHBondContact O-CA 3.34Å; G205-F209 WeakPolarHBondContact O-CB 3.39Å; G205-F209 PolarHBondContact O-N 3.35Å
206	C	32.6	Very low	34.4	Very low	27 Å²	27	75 Å²	75	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-74	-39	174.6	-67.5	0	0	0	0	111.9	K202 I203 L210	K202-C206 PolarHBondContact O-N 3.46Å; K202-C206 VanDerWaalsContact O-N 3.13Å; K202-C206 PolarHBondContact O-SG 2.85Å; I203-C206 PolarHBondContact O-N 3.02Å; C206-L210 WeakPolarHBondContact O-CB 2.89Å; C206-L210 VanDerWaalsContact O-CG 3.29Å; C206-L210 WeakPolarHBondContact O-CG 3.24Å; C206-L210 PolarHBondContact O-N 3.5Å
207	A	35.7	Very low	34.9	Very low	21 Å²	21	69.7 Å²	69.7	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-67.6	-48.8	174.5	0	0	0	0	0	110.6	I203 G204 F209 L210 F211	I203-A207 PolarHBondContact O-N 3.44Å; G204-A207 PolarHBondContact O-N 3.45Å; A207-F209 VanDerWaalsContact C-N 3.29Å; A207-F209 PolarHBondContact O-N 2.92Å; A207-L210 CarbonylContact O-C 3.51Å; A207-L210 WeakPolarHBondContact O-CA 3.46Å; A207-L210 WeakPolarHBondContact O-CB 3.36Å; A207-L210 PolarHBondContact O-N 2.77Å; A207-L210 VanDerWaalsContact O-N 3.12Å; A207-F211 VanDerWaalsContact C-CE2 3.48Å; A207-F211 HydrophobicContact CB-CD2 4.18Å; A207-F211 HydrophobicContact CB-CE2 3.55Å; A207-F211 HydrophobicContact CB-CZ 4.28Å; A207-F211 WeakPolarHBondContact O-CB 3.39Å; A207-F211 WeakPolarHBondContact O-CD2 3.46Å; A207-F211 WeakPolarHBondContact O-CE2 3.17Å; A207-F211 WeakPolarHBondContact O-CG 3.34Å; A207-F211 PolarHBondContact O-N 3.08Å
208	E	38.4	Very low	35.3	Very low	90 Å²	90	74 Å²	74	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-33.6	174.2	-167.2	-177.6	173.5	0	0	112.1	G204 F211 R212	G204-E208 WeakPolarHBondContact O-CA 2.8Å; G204-E208 WeakPolarHBondContact O-CB 3.09Å; G204-E208 PolarHBondContact O-N 2.99Å; E208-F211 PolarHBondContact O-N 2.59Å; E208-R212 HydrophobicContact CG-CG 4.43Å; E208-R212 VanDerWaalsContact O-CB 3.24Å; E208-R212 WeakPolarHBondContact O-CB 3.02Å; E208-R212 WeakPolarHBondContact O-CG 3.49Å; E208-R212 PolarHBondContact O-N 2.9Å; E208-R212 IonicContact OE1-CZ 3.08Å; E208-R212 IonicContact OE1-NE 3.75Å; E208-R212 PolarHBondContact OE1-NE 3.15Å; E208-R212 IonicContact OE1-NH2 3.52Å; E208-R212 PolarHBondContact OE1-NH2 2.86Å
209	F	38.4	Very low	36	Very low	60 Å²	60	73.7 Å²	73.7	26%	0.263	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-46	171	178.3	-87.5	0	0	0	111.7	H78 G205 A207 F211 R212 H213	H78-F209 HydrophobicContact CB-CD1 4.49Å; H78-F209 HydrophobicContact CB-CE1 3.25Å; H78-F209 HydrophobicContact CB-CZ 3.31Å; H78-F209 AromaticContact CG-CE1 3.87Å; H78-F209 AromaticContact CG-CZ 3.46Å; H78-F209 VanDerWaalsContact CG-CZ 3.46Å; H78-F209 AromaticContact ND1-CZ 3.53Å; G205-F209 WeakPolarHBondContact O-CA 3.34Å; G205-F209 WeakPolarHBondContact O-CB 3.39Å; G205-F209 PolarHBondContact O-N 3.35Å; A207-F209 VanDerWaalsContact C-N 3.29Å; A207-F209 PolarHBondContact O-N 2.92Å; F209-F211 VanDerWaalsContact C-N 3.29Å; F209-F211 PolarHBondContact O-N 3.1Å; F209-R212 PolarHBondContact O-N 2.9Å; F209-H213 AromaticContact CE1-CD2 3.47Å; F209-H213 VanDerWaalsContact CE1-CD2 3.47Å; F209-H213 WeakPolarHBondContact CE1-CD2 3.42Å; F209-H213 AromaticContact CE1-NE2 3.78Å; F209-H213 AromaticContact CE2-CD2 3.83Å; F209-H213 AromaticContact CE2-NE2 3.24Å; F209-H213 WeakPolarHBondContact CE2-NE2 3.11Å; F209-H213 AromaticContact CZ-CD2 3.24Å; F209-H213 WeakPolarHBondContact CZ-CD2 3.28Å; F209-H213 AromaticContact CZ-NE2 3.01Å; F209-H213 WeakPolarHBondContact CZ-NE2 3.36Å; F209-H213 PolarHBondContact O-N 3.29Å
210	L	37.6	Very low	36.5	Very low	17 Å²	17	76.1 Å²	76.1	9%	0.089	37%	0.372	C	S	.	.	H	α-helix	trans	-61	-38.4	171.5	-72.8	166	0	0	0	111.3	I75 L79 C122 C206 A207 H213 L214	I75-L210 HydrophobicContact CG2-CD2 3.32Å; L79-L210 HydrophobicContact CD1-CD2 4.21Å; L79-L210 HydrophobicContact CD2-CD1 4.14Å; L79-L210 HydrophobicContact CD2-CD2 4.16Å; L79-L210 HydrophobicContact CD2-CG 4.12Å; L79-L210 HydrophobicContact CG-CD2 4.32Å; C122-L210 WeakPolarHBondContact SG-CD1 3.5Å; C206-L210 WeakPolarHBondContact O-CB 2.89Å; C206-L210 VanDerWaalsContact O-CG 3.29Å; C206-L210 WeakPolarHBondContact O-CG 3.24Å; C206-L210 PolarHBondContact O-N 3.5Å; A207-L210 CarbonylContact O-C 3.51Å; A207-L210 WeakPolarHBondContact O-CA 3.46Å; A207-L210 WeakPolarHBondContact O-CB 3.36Å; A207-L210 PolarHBondContact O-N 2.77Å; A207-L210 VanDerWaalsContact O-N 3.12Å; L210-H213 PolarHBondContact O-N 3.12Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.45Å
211	F	39.9	Very low	36.9	Very low	60 Å²	60	75.5 Å²	75.5	26%	0.263	37%	0.369	S	S	.	.	H	α-helix	trans	-72.8	-35.5	178.7	-63	-49.9	0	0	0	113.5	L119 A207 E208 F209 H213 L214 L221	L119-F211 HydrophobicContact CD2-CE1 3.29Å; L119-F211 HydrophobicContact CD2-CE2 4.48Å; L119-F211 HydrophobicContact CD2-CZ 3.16Å; A207-F211 VanDerWaalsContact C-CE2 3.48Å; A207-F211 HydrophobicContact CB-CD2 4.18Å; A207-F211 HydrophobicContact CB-CE2 3.55Å; A207-F211 HydrophobicContact CB-CZ 4.28Å; A207-F211 WeakPolarHBondContact O-CB 3.39Å; A207-F211 WeakPolarHBondContact O-CD2 3.46Å; A207-F211 WeakPolarHBondContact O-CE2 3.17Å; A207-F211 WeakPolarHBondContact O-CG 3.34Å; A207-F211 PolarHBondContact O-N 3.08Å; E208-F211 PolarHBondContact O-N 2.59Å; F209-F211 VanDerWaalsContact C-N 3.29Å; F209-F211 PolarHBondContact O-N 3.1Å; F211-H213 PolarHBondContact O-N 3.04Å; F211-L214 HydrophobicContact CD1-CD1 4.41Å; F211-L214 PolarHBondContact O-N 3.12Å; F211-L221 HydrophobicContact CB-CD1 4.33Å; F211-L221 HydrophobicContact CD1-CD1 3.59Å; F211-L221 HydrophobicContact CE1-CD1 4.24Å; F211-L221 HydrophobicContact CG-CD1 4.16Å
212	R	38.2	Very low	37.6	Very low	157 Å²	157	67.5 Å²	67.5	59%	0.592	35%	0.349	S	S	*	.	H	α-helix	trans	-70	-16.6	176.6	-79	175.4	-172	-158.6	6	112.9	E208 F209	E208-R212 HydrophobicContact CG-CG 4.43Å; E208-R212 VanDerWaalsContact O-CB 3.24Å; E208-R212 WeakPolarHBondContact O-CB 3.02Å; E208-R212 WeakPolarHBondContact O-CG 3.49Å; E208-R212 PolarHBondContact O-N 2.9Å; E208-R212 IonicContact OE1-CZ 3.08Å; E208-R212 IonicContact OE1-NE 3.75Å; E208-R212 PolarHBondContact OE1-NE 3.15Å; E208-R212 IonicContact OE1-NH2 3.52Å; E208-R212 PolarHBondContact OE1-NH2 2.86Å; F209-R212 PolarHBondContact O-N 2.9Å
213	H	39.4	Very low	38.1	Very low	79 Å²	79	67.4 Å²	67.4	37%	0.366	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	2.2	175.7	-68.4	-23.1	0	0	0	113.7	F209 L210 F211 D215	F209-H213 AromaticContact CE1-CD2 3.47Å; F209-H213 VanDerWaalsContact CE1-CD2 3.47Å; F209-H213 WeakPolarHBondContact CE1-CD2 3.42Å; F209-H213 AromaticContact CE1-NE2 3.78Å; F209-H213 AromaticContact CE2-CD2 3.83Å; F209-H213 AromaticContact CE2-NE2 3.24Å; F209-H213 WeakPolarHBondContact CE2-NE2 3.11Å; F209-H213 AromaticContact CZ-CD2 3.24Å; F209-H213 WeakPolarHBondContact CZ-CD2 3.28Å; F209-H213 AromaticContact CZ-NE2 3.01Å; F209-H213 WeakPolarHBondContact CZ-NE2 3.36Å; F209-H213 PolarHBondContact O-N 3.29Å; L210-H213 PolarHBondContact O-N 3.12Å; F211-H213 PolarHBondContact O-N 3.04Å; H213-D215 PolarHBondContact O-N 3.48Å
214	L	39.2	Very low	38.6	Very low	11 Å²	11	68 Å²	68	6%	0.058	35%	0.354	C	S	.	.			trans	-97.8	70.1	168.5	-62.1	169.2	0	0	0	108.4	F69 I114 L210 F211 P216 A217 R218	F69-L214 HydrophobicContact CD2-CD2 3.61Å; F69-L214 HydrophobicContact CE2-CD2 3.19Å; F69-L214 HydrophobicContact CZ-CD2 4.05Å; I114-L214 HydrophobicContact CD1-CD1 4.33Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.45Å; F211-L214 HydrophobicContact CD1-CD1 4.41Å; F211-L214 PolarHBondContact O-N 3.12Å; L214-P216 WeakPolarHBondContact O-CD 3.31Å; L214-A217 HydrophobicContact CB-CB 3.74Å; L214-A217 PolarHBondContact O-N 3.36Å; L214-R218 PolarHBondContact O-N 2.85Å
215	D	40.6	Very low	39.1	Very low	120 Å²	120	70.4 Å²	70.4	64%	0.642	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-27.5	179.4	-96.6	-33.5	0	0	0	116.1	H213	H213-D215 PolarHBondContact O-N 3.48Å
216	P	38.3	Very low	40	Very low	52 Å²	52	73 Å²	73	34%	0.338	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-17.9	174.4	5.2	13.1	0	0	0	113.7	V67 L214 R218	V67-P216 HydrophobicContact CB-CB 3.9Å; V67-P216 HydrophobicContact CB-CG 3.52Å; V67-P216 HydrophobicContact CG1-CB 4.01Å; V67-P216 HydrophobicContact CG1-CG 3.41Å; V67-P216 VanDerWaalsContact CG1-CG 3.41Å; V67-P216 HydrophobicContact CG2-CB 3.92Å; V67-P216 HydrophobicContact CG2-CG 4.12Å; L214-P216 WeakPolarHBondContact O-CD 3.31Å; P216-R218 VanDerWaalsContact C-N 3.32Å
217	A	39.3	Very low	40.5	Very low	18 Å²	18	74.3 Å²	74.3	15%	0.149	39%	0.39	C	S	.	.	H	α-helix	trans	-87.7	-7.8	178.2	0	0	0	0	0	112.1	L214 D219 I220 L221	L214-A217 HydrophobicContact CB-CB 3.74Å; L214-A217 PolarHBondContact O-N 3.36Å; A217-D219 VanDerWaalsContact C-N 3.32Å; A217-D219 PolarHBondContact O-N 3.3Å; A217-I220 PolarHBondContact O-N 3.47Å; A217-L221 HydrophobicContact CB-CD1 3.98Å; A217-L221 HydrophobicContact CB-CG 4.48Å; A217-L221 WeakPolarHBondContact O-CB 3.24Å; A217-L221 WeakPolarHBondContact O-CD1 3.47Å; A217-L221 WeakPolarHBondContact O-CG 3.24Å; A217-L221 PolarHBondContact O-N 3.35Å
218	R	34.6	Very low	41.2	Very low	155 Å²	155	77 Å²	77	59%	0.585	41%	0.406	S	S	*	.	H	α-helix	trans	-62.9	-37.5	-176.4	-159.9	175.6	174.5	-177.8	-5.1	112.4	L214 P216 A222	L214-R218 PolarHBondContact O-N 2.85Å; P216-R218 VanDerWaalsContact C-N 3.32Å; R218-A222 WeakPolarHBondContact O-CB 3.01Å; R218-A222 PolarHBondContact O-N 3.44Å
219	D	43.2	Very low	41.4	Very low	113 Å²	113	76.3 Å²	76.3	60%	0.604	41%	0.405	S	S	*	.	H	α-helix	trans	-75.3	-46.5	178.3	-63.7	-26.9	0	0	0	111.4	A217 L221 A222 E223	A217-D219 VanDerWaalsContact C-N 3.32Å; A217-D219 PolarHBondContact O-N 3.3Å; D219-L221 VanDerWaalsContact C-N 3.29Å; D219-L221 PolarHBondContact O-N 3.12Å; D219-A222 PolarHBondContact O-N 3.38Å; D219-E223 WeakPolarHBondContact O-CB 3.3Å; D219-E223 WeakPolarHBondContact O-CG 3.47Å; D219-E223 PolarHBondContact O-N 3.32Å
220	I	41	Very low	41.7	Very low	102 Å²	102	79.3 Å²	79.3	52%	0.523	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-38.4	177.8	-62.1	169.9	0	0	0	111	A217 L224	A217-I220 PolarHBondContact O-N 3.47Å; I220-L224 HydrophobicContact CG2-CD1 4Å; I220-L224 WeakPolarHBondContact O-CB 3.25Å; I220-L224 WeakPolarHBondContact O-CD1 3.49Å; I220-L224 WeakPolarHBondContact O-CG 3.24Å; I220-L224 PolarHBondContact O-N 3.35Å
221	L	40.8	Very low	42.2	Very low	50 Å²	50	84.2 Å²	84.2	26%	0.262	44%	0.44	S	S	.	.	H	α-helix	trans	-79.6	-31.1	178.1	-69.4	168.9	0	0	0	112.5	F211 A217 D219 L224 S225	F211-L221 HydrophobicContact CB-CD1 4.33Å; F211-L221 HydrophobicContact CD1-CD1 3.59Å; F211-L221 HydrophobicContact CE1-CD1 4.24Å; F211-L221 HydrophobicContact CG-CD1 4.16Å; A217-L221 HydrophobicContact CB-CD1 3.98Å; A217-L221 HydrophobicContact CB-CG 4.48Å; A217-L221 WeakPolarHBondContact O-CB 3.24Å; A217-L221 WeakPolarHBondContact O-CD1 3.47Å; A217-L221 WeakPolarHBondContact O-CG 3.24Å; A217-L221 PolarHBondContact O-N 3.35Å; D219-L221 VanDerWaalsContact C-N 3.29Å; D219-L221 PolarHBondContact O-N 3.12Å; L221-L224 HydrophobicContact CD2-CD1 4.19Å; L221-L224 PolarHBondContact O-N 3.14Å; L221-S225 WeakPolarHBondContact O-CB 3.21Å; L221-S225 PolarHBondContact O-N 3.23Å; L221-S225 PolarHBondContact O-OG 3.41Å; L221-S225 VanDerWaalsContact O-OG 3.07Å
222	A	44.8	Very low	42.4	Very low	51 Å²	51	85.7 Å²	85.7	42%	0.421	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-47.2	169.7	0	0	0	0	0	110.2	R218 D219 S225 A226	R218-A222 WeakPolarHBondContact O-CB 3.01Å; R218-A222 PolarHBondContact O-N 3.44Å; D219-A222 PolarHBondContact O-N 3.38Å; A222-S225 WeakPolarHBondContact CA-OG 3.18Å; A222-S225 PolarHBondContact O-N 3.32Å; A222-S225 PolarHBondContact O-OG 2.77Å; A222-A226 WeakPolarHBondContact O-CB 3.33Å; A222-A226 PolarHBondContact O-N 3.38Å
223	E	43.7	Very low	42.6	Very low	136 Å²	136	80.8 Å²	80.8	64%	0.636	43%	0.429	S	S	*	.	H	α-helix	trans	-59.6	-47.2	173.6	-73.3	175.8	-172.1	0	0	111.6	D219 S225 A226 L227	D219-E223 WeakPolarHBondContact O-CB 3.3Å; D219-E223 WeakPolarHBondContact O-CG 3.47Å; D219-E223 PolarHBondContact O-N 3.32Å; E223-S225 PolarHBondContact O-N 2.85Å; E223-A226 PolarHBondContact O-N 2.7Å; E223-L227 WeakPolarHBondContact O-CG 3.48Å; E223-L227 PolarHBondContact O-N 2.86Å
224	L	42.9	Very low	43	Very low	49 Å²	49	80.8 Å²	80.8	26%	0.257	43%	0.429	S	S	.	.	H	α-helix	trans	-63.7	-40.9	175.8	-75.1	166.4	0	0	0	112.1	I220 L221 A226 L227 R232 L235	I220-L224 HydrophobicContact CG2-CD1 4Å; I220-L224 WeakPolarHBondContact O-CB 3.25Å; I220-L224 WeakPolarHBondContact O-CD1 3.49Å; I220-L224 WeakPolarHBondContact O-CG 3.24Å; I220-L224 PolarHBondContact O-N 3.35Å; L221-L224 HydrophobicContact CD2-CD1 4.19Å; L221-L224 PolarHBondContact O-N 3.14Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 3.32Å; L224-L227 HydrophobicContact CD2-CD1 4.43Å; L224-L227 WeakPolarHBondContact O-CB 3.18Å; L224-L227 PolarHBondContact O-N 2.96Å; L224-R232 WeakPolarHBondContact O-CD 3.45Å; L224-R232 WeakPolarHBondContact O-CG 3.16Å; L224-L235 HydrophobicContact CD2-CB 4.29Å; L224-L235 HydrophobicContact CD2-CD1 3.8Å
225	S	42.1	Very low	43.4	Very low	82 Å²	82	83.1 Å²	83.1	57%	0.573	44%	0.441	S	S	*	.	H	α-helix	trans	-70.6	-25	-179.3	71.6	0	0	0	0	113.7	L221 A222 E223 L227	L221-S225 WeakPolarHBondContact O-CB 3.21Å; L221-S225 PolarHBondContact O-N 3.23Å; L221-S225 PolarHBondContact O-OG 3.41Å; L221-S225 VanDerWaalsContact O-OG 3.07Å; A222-S225 WeakPolarHBondContact CA-OG 3.18Å; A222-S225 PolarHBondContact O-N 3.32Å; A222-S225 PolarHBondContact O-OG 2.77Å; E223-S225 PolarHBondContact O-N 2.85Å; S225-L227 VanDerWaalsContact C-N 3.27Å
226	A	49.7	Very low	43.6	Very low	83 Å²	83	81 Å²	81	69%	0.686	43%	0.429	S	S	*	.	H	α-helix	trans	-75.7	-15.8	174.2	0	0	0	0	0	112.7	A222 E223 L224	A222-A226 WeakPolarHBondContact O-CB 3.33Å; A222-A226 PolarHBondContact O-N 3.38Å; E223-A226 PolarHBondContact O-N 2.7Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 3.32Å
227	L	42.9	Very low	43.6	Very low	54 Å²	54	82.9 Å²	82.9	28%	0.283	44%	0.436	S	S	.	.	S	Bend	trans	-80.9	141.3	-179.5	-69.9	171.7	0	0	0	112.3	E223 L224 S225 R231 R232 L235	E223-L227 WeakPolarHBondContact O-CG 3.48Å; E223-L227 PolarHBondContact O-N 2.86Å; L224-L227 HydrophobicContact CD2-CD1 4.43Å; L224-L227 WeakPolarHBondContact O-CB 3.18Å; L224-L227 PolarHBondContact O-N 2.96Å; S225-L227 VanDerWaalsContact C-N 3.27Å; L227-R231 HydrophobicContact CB-CB 4.27Å; L227-R231 HydrophobicContact CD2-CB 4.42Å; L227-R231 HydrophobicContact CD2-CG 4.14Å; L227-R232 HydrophobicContact CB-CG 3.86Å; L227-R232 PolarHBondContact O-NE 3.28Å; L227-L235 HydrophobicContact CD1-CD1 3.17Å
228	P	49.9	Very low	43.7	Very low	79 Å²	79	86.1 Å²	86.1	51%	0.513	45%	0.448	S	S	.	.			trans	-48.2	145.5	166	-25.7	33.8	0	0	0	110.8	D230 R231 R232	P228-D230 PolarHBondContact O-N 3.34Å; P228-D230 VanDerWaalsContact O-N 3.1Å; P228-R231 PolarHBondContact O-N 2.89Å; P228-R232 PolarHBondContact O-N 2.76Å
229	L	42.7	Very low	44	Very low	75 Å²	75	83.8 Å²	83.8	39%	0.393	45%	0.451	S	S	.	.	H	α-helix	trans	-49.8	-42	-176.7	-174.9	69.9	0	0	0	111.4	R231 R232 M233	L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 3.43Å; L229-R232 WeakPolarHBondContact O-CB 3.19Å; L229-R232 PolarHBondContact O-N 2.96Å; L229-M233 HydrophobicContact CG-SD 4.46Å; L229-M233 WeakPolarHBondContact O-CG 2.96Å; L229-M233 PolarHBondContact O-N 3.46Å
230	D	46	Very low	43.6	Very low	122 Å²	122	82.2 Å²	82.2	65%	0.652	44%	0.44	S	S	*	.	H	α-helix	trans	-57.2	-43.5	178.8	-23.8	-33.7	0	0	0	111.3	P228 M233 E234	P228-D230 PolarHBondContact O-N 3.34Å; P228-D230 VanDerWaalsContact O-N 3.1Å; D230-M233 PolarHBondContact O-N 3.2Å; D230-E234 WeakPolarHBondContact O-CB 3.34Å; D230-E234 PolarHBondContact O-N 3.47Å
231	R	46.9	Very low	43.1	Very low	120 Å²	120	86.9 Å²	86.9	45%	0.453	45%	0.451	S	S	.	.	H	α-helix	trans	-80	-29.9	-178.3	-154.7	61.7	175.1	175.5	6.9	113	L227 P228 L229 E234 L235	L227-R231 HydrophobicContact CB-CB 4.27Å; L227-R231 HydrophobicContact CD2-CB 4.42Å; L227-R231 HydrophobicContact CD2-CG 4.14Å; P228-R231 PolarHBondContact O-N 2.89Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 3.43Å; R231-E234 VanDerWaalsContact CD-OE2 3.28Å; R231-E234 WeakPolarHBondContact CD-OE2 3.46Å; R231-E234 IonicContact CZ-OE1 2.7Å; R231-E234 IonicContact CZ-OE2 3.63Å; R231-E234 IonicContact NE-OE2 3.17Å; R231-E234 IonicContact NH1-OE1 3.32Å; R231-E234 PolarHBondContact NH1-OE1 3.47Å; R231-E234 IonicContact NH1-OE2 3.2Å; R231-E234 PolarHBondContact NH1-OE2 3.36Å; R231-E234 PolarHBondContact O-N 3.07Å; R231-L235 WeakPolarHBondContact O-CG 3.14Å; R231-L235 PolarHBondContact O-N 3.06Å; R231-L235 VanDerWaalsContact O-N 3.08Å
232	R	45.3	Very low	42.4	Very low	91 Å²	91	88 Å²	88	34%	0.343	48%	0.475	S	S	.	.	H	α-helix	trans	-61.5	-46.3	166.7	-77.5	-177.3	-90	172.1	3.9	111.5	L224 L227 P228 L229 E234 L235 I236	L224-R232 WeakPolarHBondContact O-CD 3.45Å; L224-R232 WeakPolarHBondContact O-CG 3.16Å; L227-R232 HydrophobicContact CB-CG 3.86Å; L227-R232 PolarHBondContact O-NE 3.28Å; P228-R232 PolarHBondContact O-N 2.76Å; L229-R232 WeakPolarHBondContact O-CB 3.19Å; L229-R232 PolarHBondContact O-N 2.96Å; R232-E234 VanDerWaalsContact C-N 3.32Å; R232-E234 PolarHBondContact O-N 2.87Å; R232-L235 PolarHBondContact O-N 3.06Å; R232-I236 WeakPolarHBondContact O-CB 3.39Å; R232-I236 WeakPolarHBondContact O-CD1 3.15Å; R232-I236 WeakPolarHBondContact O-CG1 3.37Å; R232-I236 PolarHBondContact O-N 3.45Å
233	M	42.3	Very low	41.7	Very low	55 Å²	55	93.3 Å²	93.3	27%	0.271	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-39.8	178.3	-71.6	-173.6	72.9	0	0	111.4	W188 R189 L229 D230 I236 L237	W188-M233 HydrophobicContact CB-CE 4.5Å; R189-M233 HydrophobicContact CB-CE 4.46Å; L229-M233 HydrophobicContact CG-SD 4.46Å; L229-M233 WeakPolarHBondContact O-CG 2.96Å; L229-M233 PolarHBondContact O-N 3.46Å; D230-M233 PolarHBondContact O-N 3.2Å; M233-I236 PolarHBondContact O-N 3.26Å; M233-L237 WeakPolarHBondContact O-CB 3.33Å; M233-L237 WeakPolarHBondContact O-CG 3.42Å; M233-L237 PolarHBondContact O-N 3.26Å
234	E	48	Very low	41.6	Very low	78 Å²	78	91.2 Å²	91.2	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-42.1	177.6	-158.3	174.7	165.6	0	0	113	D230 R231 R232 L237 Q238	D230-E234 WeakPolarHBondContact O-CB 3.34Å; D230-E234 PolarHBondContact O-N 3.47Å; R231-E234 VanDerWaalsContact CD-OE2 3.28Å; R231-E234 WeakPolarHBondContact CD-OE2 3.46Å; R231-E234 IonicContact CZ-OE1 2.7Å; R231-E234 IonicContact CZ-OE2 3.63Å; R231-E234 IonicContact NE-OE2 3.17Å; R231-E234 IonicContact NH1-OE1 3.32Å; R231-E234 PolarHBondContact NH1-OE1 3.47Å; R231-E234 IonicContact NH1-OE2 3.2Å; R231-E234 PolarHBondContact NH1-OE2 3.36Å; R231-E234 PolarHBondContact O-N 3.07Å; R232-E234 VanDerWaalsContact C-N 3.32Å; R232-E234 PolarHBondContact O-N 2.87Å; E234-L237 PolarHBondContact O-N 3.47Å; E234-Q238 WeakPolarHBondContact O-CG 3.39Å; E234-Q238 PolarHBondContact O-N 3.43Å
235	L	46.1	Very low	41.5	Very low	60 Å²	60	93.4 Å²	93.4	31%	0.314	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-36.4	174.5	-72.9	170.8	0	0	0	112.7	L224 L227 R231 R232 L237 Q238 T239	L224-L235 HydrophobicContact CD2-CB 4.29Å; L224-L235 HydrophobicContact CD2-CD1 3.8Å; L227-L235 HydrophobicContact CD1-CD1 3.17Å; R231-L235 WeakPolarHBondContact O-CG 3.14Å; R231-L235 PolarHBondContact O-N 3.06Å; R231-L235 VanDerWaalsContact O-N 3.08Å; R232-L235 PolarHBondContact O-N 3.06Å; L235-L237 VanDerWaalsContact C-N 3.29Å; L235-Q238 PolarHBondContact O-N 3.49Å; L235-T239 PolarHBondContact O-N 2.92Å; L235-T239 PolarHBondContact O-OG1 2.88Å
236	I	45.1	Very low	41.5	Very low	76 Å²	76	94.1 Å²	94.1	39%	0.39	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-36.2	172.9	-69.8	165.2	0	0	0	110.5	R232 M233 T239 Q240	R232-I236 WeakPolarHBondContact O-CB 3.39Å; R232-I236 WeakPolarHBondContact O-CD1 3.15Å; R232-I236 WeakPolarHBondContact O-CG1 3.37Å; R232-I236 PolarHBondContact O-N 3.45Å; M233-I236 PolarHBondContact O-N 3.26Å; I236-T239 WeakPolarHBondContact CA-OG1 3.34Å; I236-T239 PolarHBondContact O-OG1 2.89Å; I236-T239 VanDerWaalsContact O-OG1 3.07Å; I236-Q240 WeakPolarHBondContact O-CG 3.33Å; I236-Q240 PolarHBondContact O-N 3.13Å
237	L	37.9	Very low	41	Very low	91 Å²	91	94.7 Å²	94.7	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-74.2	-41.3	176.7	-71.1	168.1	0	0	0	112.1	M233 E234 L235 T239 Q240 W241	M233-L237 WeakPolarHBondContact O-CB 3.33Å; M233-L237 WeakPolarHBondContact O-CG 3.42Å; M233-L237 PolarHBondContact O-N 3.26Å; E234-L237 PolarHBondContact O-N 3.47Å; L235-L237 VanDerWaalsContact C-N 3.29Å; L237-T239 VanDerWaalsContact C-N 3.34Å; L237-T239 PolarHBondContact O-N 3.23Å; L237-Q240 PolarHBondContact O-N 3.06Å; L237-Q240 VanDerWaalsContact O-N 3.12Å; L237-W241 PolarHBondContact O-N 3.39Å
238	Q	42.3	Very low	40.9	Very low	86 Å²	86	97.3 Å²	97.3	40%	0.402	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-40.2	175.3	-79.6	179.2	-25.5	0	0	112.2	E234 L235 Q240 W241 G242	E234-Q238 WeakPolarHBondContact O-CG 3.39Å; E234-Q238 PolarHBondContact O-N 3.43Å; L235-Q238 PolarHBondContact O-N 3.49Å; Q238-Q240 VanDerWaalsContact C-N 3.29Å; Q238-Q240 PolarHBondContact O-N 2.95Å; Q238-W241 PolarHBondContact O-N 3.29Å; Q238-G242 PolarHBondContact O-N 2.87Å
239	T	41.2	Very low	40.3	Very low	106 Å²	106	98.5 Å²	98.5	65%	0.65	51%	0.514	S	S	*	.	H	α-helix	trans	-72.8	-18	175.4	46.8	0	0	0	0	114	R116 L235 I236 L237	R116-T239 PolarHBondContact NH2-O 3.25Å; R116-T239 VanDerWaalsContact NH2-O 3.14Å; L235-T239 PolarHBondContact O-N 2.92Å; L235-T239 PolarHBondContact O-OG1 2.88Å; I236-T239 WeakPolarHBondContact CA-OG1 3.34Å; I236-T239 PolarHBondContact O-OG1 2.89Å; I236-T239 VanDerWaalsContact O-OG1 3.07Å; L237-T239 VanDerWaalsContact C-N 3.34Å; L237-T239 PolarHBondContact O-N 3.23Å
240	Q	35	Very low	40.1	Very low	81 Å²	81	100.1 Å²	100.1	38%	0.379	52%	0.522	S	S	.	.	H	α-helix	trans	-88	-24.8	172.8	-78.9	-169.3	2.5	0	0	113.8	I236 L237 Q238	I236-Q240 WeakPolarHBondContact O-CG 3.33Å; I236-Q240 PolarHBondContact O-N 3.13Å; L237-Q240 PolarHBondContact O-N 3.06Å; L237-Q240 VanDerWaalsContact O-N 3.12Å; Q238-Q240 VanDerWaalsContact C-N 3.29Å; Q238-Q240 PolarHBondContact O-N 2.95Å
241	W	29.7	Very low	39.7	Very low	199 Å²	199	98.5 Å²	98.5	75%	0.754	51%	0.512	S	S	*	.	H	α-helix	trans	-126.2	-2.6	-168.3	-68.4	79.6	0	0	0	116.9	L237 Q238 C243	L237-W241 PolarHBondContact O-N 3.39Å; Q238-W241 PolarHBondContact O-N 3.29Å; W241-C243 VanDerWaalsContact C-N 3.32Å; W241-C243 PolarHBondContact O-N 3.17Å
242	G	26.1	Very low	39.1	Very low	74 Å²	74	96.7 Å²	96.7	76%	0.763	52%	0.517	S	S	*	.			trans	60.1	36.8	168.7	0	0	0	0	0	115	Q238	Q238-G242 PolarHBondContact O-N 2.87Å
243	C	29.9	Very low	38.5	Very low	163 Å²	163	97.2 Å²	97.2	100%	1.101	53%	0.533	S	S	*	.			trans	-95.9	0	165.2	-61.9	0	0	0	0	109.8	W241	W241-C243 VanDerWaalsContact C-N 3.32Å; W241-C243 PolarHBondContact O-N 3.17Å

Retrieved 243 of 243 residues in 169.5 ms (Link to these results)

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