X2JF51_DROME Loading...

Pre-mRNA-splicing factor 38

Required for pre-mRNA splicing.

AlphaFold DB , UniProt , Accession X2JF51, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG1622, Length 141 aa.

						>X2JF51_DROME|X2JF51|Dmel\CG1622
MDEDYSASSSAGGGKKAGKQHNTLPFWGNESSMNLNALILANIQSSSYFKVHLFKLKTYHEVVDEIYYQVKHMEPWERGSRKTSGQTGMCGGVRGVGAGGIVSTAYCLLYKLYTLRLTRKQINGLLNHTDSAYIRALGRCW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.2	Low	40.8	Very low	224 Å²	224	141.5 Å²	141.5	100%	1.103	82%	0.823	S	S	*	*				0	69.1	0	-77.6	156.9	169.3	0	0	105.4
2	D	40	Very low	40	Very low	148 Å²	148	136 Å²	136	79%	0.791	82%	0.82	S	S	*	*			cis	50.3	135.6	40.5	-54.3	-73.1	0	0	0	113.1
3	E	46.3	Very low	39.3	Very low	187 Å²	187	131.8 Å²	131.8	87%	0.874	82%	0.821	S	S	*	*			trans	96.8	81.8	-173.2	-66	162	75.2	0	0	113.3
4	D	36.9	Very low	39.4	Very low	137 Å²	137	127.5 Å²	127.5	73%	0.733	82%	0.816	S	S	*	*				70.4	106.1	81.7	-158.3	-71.1	0	0	0	113.2	S6	D4-S6 PolarHBondContact OD1-N 3.37Å
5	Y	40.8	Very low	39	Very low	230 Å²	230	132.7 Å²	132.7	90%	0.902	82%	0.821	S	S	*	*			trans	-144	92.5	141.4	-159.2	-101.4	0	0	0	109
6	S	36.3	Very low	39.1	Very low	90 Å²	90	137.9 Å²	137.9	63%	0.629	83%	0.828	S	S	*	*			trans	-56.3	155.8	175.8	-164.7	0	0	0	0	113.6	D4	D4-S6 PolarHBondContact OD1-N 3.37Å
7	A	45.7	Very low	39.3	Very low	84 Å²	84	134.9 Å²	134.9	69%	0.694	82%	0.822	S	S	*	*			trans	-58.6	153.2	-176.5	0	0	0	0	0	114.1
8	S	32.5	Very low	39.3	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	81%	0.806	S	S	*	*			trans	-152.6	94.7	147.1	-80	0	0	0	0	110.2	S10	S8-S10 PolarHBondContact O-N 3.3Å
9	S	43.2	Very low	39.8	Very low	122 Å²	122	134.7 Å²	134.7	85%	0.853	81%	0.812	S	S	*	*			trans	-57	112.9	150.6	45.6	0	0	0	0	109
10	S	32.8	Very low	40.4	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	80%	0.802	S	S	*	*			trans	-120.4	101.3	164.7	62.7	0	0	0	0	109.3	S8 G12	S8-S10 PolarHBondContact O-N 3.3Å; S10-G12 PolarHBondContact O-N 3.19Å
11	A	43.7	Very low	40.7	Very low	112 Å²	112	134.7 Å²	134.7	93%	0.926	80%	0.795	S	S	*	*			trans	-55.9	113.4	158.2	0	0	0	0	0	108.7
12	G	30.5	Very low	40.9	Very low	76 Å²	76	127.8 Å²	127.8	78%	0.784	76%	0.762	S	S	*	*			trans	-114.4	95.6	173.4	0	0	0	0	0	109.4	S10	S10-G12 PolarHBondContact O-N 3.19Å
13	G	31.6	Very low	41.6	Very low	81 Å²	81	123.9 Å²	123.9	84%	0.835	74%	0.744	S	S	*	*			trans	-65.8	148.4	174.8	0	0	0	0	0	113.2
14	G	40.8	Very low	42.2	Very low	72 Å²	72	116.7 Å²	116.7	74%	0.742	71%	0.711	S	S	*	*			trans	81.8	106.8	146.2	0	0	0	0	0	117.4
15	K	32.5	Very low	43.2	Very low	205 Å²	205	114.9 Å²	114.9	89%	0.891	71%	0.707	S	S	*	*				-163	113.8	115.4	-99.7	161.4	-167.4	-175.9	0	108.4	A17	K15-A17 PolarHBondContact O-N 3.43Å
16	K	41.2	Very low	44	Very low	216 Å²	216	107.7 Å²	107.7	94%	0.939	68%	0.68	S	S	*	*			trans	-57.3	103.4	166.7	-71.3	-173.8	179.6	179	0	106.7	G18	K16-G18 VanDerWaalsContact C-N 3.32Å; K16-G18 PolarHBondContact O-N 3.16Å
17	A	42.3	Very low	44.7	Very low	88 Å²	88	115 Å²	115	73%	0.727	69%	0.694	S	S	*	*			trans	-63.6	99.9	172.4	0	0	0	0	0	106.6	K15	K15-A17 PolarHBondContact O-N 3.43Å
18	G	40.1	Very low	45.3	Very low	51 Å²	51	112.8 Å²	112.8	53%	0.526	68%	0.68	S	S	.	*			trans	-47.4	143.9	171	0	0	0	0	0	108.7	K16 Q20	K16-G18 VanDerWaalsContact C-N 3.32Å; K16-G18 PolarHBondContact O-N 3.16Å; G18-Q20 WeakPolarHBondContact O-CG 3.29Å; G18-Q20 PolarHBondContact O-N 3.17Å
19	K	48.6	Very low	46.6	Very low	214 Å²	214	111.5 Å²	111.5	93%	0.93	66%	0.664	S	S	*	*			trans	-45.3	90.9	178.9	-83.8	174	175.4	173.5	0	109.3	H21	K19-H21 PolarHBondContact O-N 3.38Å
20	Q	51.6	Low	47.4	Very low	129 Å²	129	111.4 Å²	111.4	60%	0.603	65%	0.65	S	S	*	*			trans	-66.3	111.2	174.6	-68.2	-63.4	-14.3	0	0	103.3	G18 N22	G18-Q20 WeakPolarHBondContact O-CG 3.29Å; G18-Q20 PolarHBondContact O-N 3.17Å; Q20-N22 PolarHBondContact O-N 3.48Å
21	H	45.9	Very low	48.7	Very low	141 Å²	141	110.6 Å²	110.6	65%	0.653	64%	0.644	S	S	*	*			trans	-43.3	118.4	172.2	-176.3	-142.7	0	0	0	106.6	K19 T23	K19-H21 PolarHBondContact O-N 3.38Å; H21-T23 PolarHBondContact CD2-OG1 3.14Å; H21-T23 VanDerWaalsContact CE1-CB 3.41Å; H21-T23 WeakPolarHBondContact CE1-CB 3.18Å; H21-T23 PolarHBondContact CE1-OG1 3.29Å; H21-T23 PolarHBondContact NE2-OG1 3.35Å; H21-T23 PolarHBondContact O-N 3.03Å
22	N	56.1	Low	49.6	Very low	78 Å²	78	106.6 Å²	106.6	42%	0.417	61%	0.61	S	S	.	*	S	Bend	trans	-66.4	-3.2	-169.8	-150.8	28.8	0	0	0	112	Q20 T118	Q20-N22 PolarHBondContact O-N 3.48Å; N22-T118 WeakPolarHBondContact ND2-CG2 3.35Å
23	T	54	Low	51.2	Low	66 Å²	66	104.4 Å²	104.4	41%	0.405	58%	0.579	S	S	.	*	S	Bend	trans	-93.9	117.2	178.2	-27.9	0	0	0	0	109	H21	H21-T23 PolarHBondContact CD2-OG1 3.14Å; H21-T23 VanDerWaalsContact CE1-CB 3.41Å; H21-T23 WeakPolarHBondContact CE1-CB 3.18Å; H21-T23 PolarHBondContact CE1-OG1 3.29Å; H21-T23 PolarHBondContact NE2-OG1 3.35Å; H21-T23 PolarHBondContact O-N 3.03Å
24	L	59.5	Low	52.9	Low	37 Å²	37	106.2 Å²	106.2	19%	0.194	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-72.6	139.2	175.6	-71.4	164.6	0	0	0	110.1	F26 R119 I122	L24-F26 PolarHBondContact O-N 2.88Å; L24-R119 HydrophobicContact CD2-CB 3.82Å; L24-R119 HydrophobicContact CD2-CG 3.98Å; L24-R119 HydrophobicContact CG-CB 4.11Å; L24-I122 HydrophobicContact CD1-CD1 3.1Å; L24-I122 HydrophobicContact CD1-CG1 4.41Å
25	P	57.6	Low	54.3	Low	99 Å²	99	104 Å²	104	64%	0.643	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-62.2	119.9	168.5	26.9	-31.2	0	0	0	107.7	W27	P25-W27 PolarHBondContact O-N 2.89Å
26	F	56.6	Low	56.4	Low	78 Å²	78	97.1 Å²	97.1	34%	0.342	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-77.7	116.9	-178.8	171.4	-109.5	0	0	0	109.2	L24 G28 N29 E30 Y113	L24-F26 PolarHBondContact O-N 2.88Å; F26-G28 WeakPolarHBondContact CE1-O 3.23Å; F26-G28 VanDerWaalsContact CZ-C 3.42Å; F26-N29 VanDerWaalsContact CE1-C 3.4Å; F26-N29 VanDerWaalsContact CZ-O 3.28Å; F26-N29 WeakPolarHBondContact CZ-O 3.42Å; F26-E30 HydrophobicContact CD1-CB 4.43Å; F26-E30 HydrophobicContact CE1-CB 3.9Å; F26-Y113 AromaticContact CD2-CE2 3.86Å; F26-Y113 HydrophobicContact CD2-CE2 3.86Å; F26-Y113 HydrophobicContact CE2-CD2 4.46Å; F26-Y113 AromaticContact CE2-CE2 3.3Å; F26-Y113 HydrophobicContact CE2-CE2 3.3Å; F26-Y113 AromaticContact CE2-CZ 3.67Å; F26-Y113 VanDerWaalsContact CE2-OH 3.23Å; F26-Y113 WeakPolarHBondContact CE2-OH 3.43Å; F26-Y113 HydrophobicContact CZ-CE2 4.09Å; F26-Y113 AromaticContact CZ-CZ 3.99Å; F26-Y113 WeakPolarHBondContact CZ-OH 3.26Å
27	W	52.8	Low	58.1	Low	243 Å²	243	90.4 Å²	90.4	92%	0.92	50%	0.498	S	S	*	.			trans	-100.9	97.7	175.1	-109.6	68.9	0	0	0	109.2	P25	P25-W27 PolarHBondContact O-N 2.89Å
28	G	57.9	Low	59.8	Low	38 Å²	38	90.2 Å²	90.2	39%	0.392	49%	0.485	S	S	.	.	S	Bend	trans	152.4	-164.2	175.6	0	0	0	0	0	114.6	F26 N34	F26-G28 WeakPolarHBondContact CE1-O 3.23Å; F26-G28 VanDerWaalsContact CZ-C 3.42Å; G28-N34 WeakPolarHBondContact CA-ND2 3.44Å
29	N	60.3	Low	61.6	Low	87 Å²	87	88 Å²	88	47%	0.465	46%	0.461	S	S	.	.			trans	-91.6	123.6	171.9	-176.6	-16.8	0	0	0	110	F26 S31 S32 M33	F26-N29 VanDerWaalsContact CE1-C 3.4Å; F26-N29 VanDerWaalsContact CZ-O 3.28Å; F26-N29 WeakPolarHBondContact CZ-O 3.42Å; N29-S31 PolarHBondContact O-N 2.9Å; N29-S31 PolarHBondContact OD1-N 3.48Å; N29-S32 WeakPolarHBondContact CB-OG 3.13Å; N29-S32 PolarHBondContact O-N 3.45Å; N29-M33 PolarHBondContact O-N 3.42Å
30	E	58.9	Low	63.2	Low	120 Å²	120	78.9 Å²	78.9	56%	0.561	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.4	-168.7	-170.5	163.5	-162.9	0	0	112	F26 Y113 R116	F26-E30 HydrophobicContact CD1-CB 4.43Å; F26-E30 HydrophobicContact CE1-CB 3.9Å; E30-Y113 VanDerWaalsContact C-OH 3.25Å; E30-Y113 VanDerWaalsContact CA-OH 3.27Å; E30-Y113 WeakPolarHBondContact CA-OH 3.29Å; E30-Y113 WeakPolarHBondContact O-CE1 3.08Å; E30-Y113 PolarHBondContact O-OH 2.95Å; E30-R116 IonicContact OE1-NH1 3.97Å; E30-R116 PolarHBondContact OE1-NH1 3.45Å
31	S	60.4	Low	64.6	Low	91 Å²	91	75.1 Å²	75.1	64%	0.636	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-25.3	179.5	-49.8	0	0	0	0	114.2	N29	N29-S31 PolarHBondContact O-N 2.9Å; N29-S31 PolarHBondContact OD1-N 3.48Å
32	S	61.6	Low	66.4	Low	28 Å²	28	71 Å²	71	20%	0.196	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-7.6	-169.5	69.8	0	0	0	0	116.4	N29 N34 L35	N29-S32 WeakPolarHBondContact CB-OG 3.13Å; N29-S32 PolarHBondContact O-N 3.45Å; S32-N34 PolarHBondContact O-N 2.92Å; S32-L35 WeakPolarHBondContact O-CB 3.3Å; S32-L35 PolarHBondContact O-N 3.48Å
33	M	65.4	Low	67.7	Low	30 Å²	30	67.3 Å²	67.3	15%	0.148	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	25	-179.2	-162	-170.3	173	0	0	113.1	N29 L35 L109 Y113 W141	N29-M33 PolarHBondContact O-N 3.42Å; M33-L35 HydrophobicContact CB-CD1 4.5Å; M33-L35 HydrophobicContact CB-CG 4.37Å; M33-L35 PolarHBondContact O-N 3.04Å; M33-L109 HydrophobicContact CE-CD1 3.69Å; M33-L109 HydrophobicContact CE-CD2 4.04Å; M33-L109 HydrophobicContact CE-CG 3.65Å; M33-L109 HydrophobicContact SD-CD2 4.41Å; M33-L109 HydrophobicContact SD-CG 4.1Å; M33-Y113 HydrophobicContact CB-CD1 4.24Å; M33-Y113 HydrophobicContact CB-CD2 4.2Å; M33-Y113 HydrophobicContact CB-CE1 4.32Å; M33-Y113 HydrophobicContact CB-CE2 4.33Å; M33-Y113 HydrophobicContact CB-CG 4.18Å; M33-Y113 HydrophobicContact CE-CD2 4.34Å; M33-Y113 HydrophobicContact CG-CD2 3.69Å; M33-Y113 HydrophobicContact CG-CE2 4.09Å; M33-Y113 HydrophobicContact CG-CG 3.94Å; M33-Y113 VanDerWaalsContact SD-CB 3.51Å; M33-Y113 HydrophobicContact SD-CD1 4.45Å; M33-Y113 HydrophobicContact SD-CD2 3.8Å; M33-Y113 HydrophobicContact SD-CG 3.64Å; M33-W141 HydrophobicContact CE-CE3 4.32Å
34	N	66.9	Low	69.1	Low	120 Å²	120	68.4 Å²	68.4	64%	0.642	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	19	-169.8	-70.2	-66.6	0	0	0	115.5	G28 S32	G28-N34 WeakPolarHBondContact CA-ND2 3.44Å; S32-N34 PolarHBondContact O-N 2.92Å
35	L	70.1	Confident	70.2	Confident	26 Å²	26	70 Å²	70	14%	0.136	39%	0.392	C	S	.	.			trans	-80.5	150	172	-62.1	177.3	0	0	0	110.8	S32 M33 A37 I43 Y106	S32-L35 WeakPolarHBondContact O-CB 3.3Å; S32-L35 PolarHBondContact O-N 3.48Å; M33-L35 HydrophobicContact CB-CD1 4.5Å; M33-L35 HydrophobicContact CB-CG 4.37Å; M33-L35 PolarHBondContact O-N 3.04Å; L35-A37 PolarHBondContact O-N 2.86Å; L35-I43 HydrophobicContact CD1-CD1 4.49Å; L35-Y106 HydrophobicContact CD2-CD1 3.81Å; L35-Y106 HydrophobicContact CD2-CE1 3.51Å
36	N	76.5	Confident	71.4	Confident	60 Å²	60	66.9 Å²	66.9	32%	0.321	37%	0.372	S	S	.	.			trans	-58.9	132.4	171.4	-176.7	-6.3	0	0	0	109.3	L38 I39 L40 V96	N36-L38 PolarHBondContact O-N 3.11Å; N36-L38 VanDerWaalsContact O-N 3.1Å; N36-L38 PolarHBondContact OD1-N 3.31Å; N36-L38 VanDerWaalsContact OD1-N 3.16Å; N36-I39 HydrophobicContact CB-CD1 4.2Å; N36-I39 HydrophobicContact CB-CG1 4.27Å; N36-I39 WeakPolarHBondContact O-CB 3.47Å; N36-I39 PolarHBondContact O-N 3.39Å; N36-L40 PolarHBondContact O-N 2.95Å; N36-V96 HydrophobicContact CB-CG1 3.63Å; N36-V96 VanDerWaalsContact ND2-CG1 3.28Å; N36-V96 WeakPolarHBondContact ND2-CG1 3.01Å; N36-V96 PolarHBondContact ND2-O 2.8Å
37	A	76.6	Confident	72.6	Confident	74 Å²	74	67.5 Å²	67.5	61%	0.612	39%	0.386	S	S	*	.	H	α-helix	trans	-52.1	-34	177.8	0	0	0	0	0	112.6	L35 L40 A41	L35-A37 PolarHBondContact O-N 2.86Å; A37-L40 PolarHBondContact O-N 3.39Å; A37-A41 VanDerWaalsContact O-CB 3.31Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.19Å
38	L	77.5	Confident	74.1	Confident	84 Å²	84	58 Å²	58	44%	0.44	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-42	174.4	-69.8	175.8	0	0	0	112.8	N36 N42	N36-L38 PolarHBondContact O-N 3.11Å; N36-L38 VanDerWaalsContact O-N 3.1Å; N36-L38 PolarHBondContact OD1-N 3.31Å; N36-L38 VanDerWaalsContact OD1-N 3.16Å; L38-N42 WeakPolarHBondContact O-CB 3.06Å; L38-N42 PolarHBondContact O-N 2.94Å; L38-N42 VanDerWaalsContact O-N 3.14Å; L38-N42 PolarHBondContact O-ND2 3.13Å
39	I	78.9	Confident	75.3	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-45.9	177.8	-66.9	173.6	0	0	0	108.9	N36 A41 N42 I43 P75 W76 V96 V102 Y106	N36-I39 HydrophobicContact CB-CD1 4.2Å; N36-I39 HydrophobicContact CB-CG1 4.27Å; N36-I39 WeakPolarHBondContact O-CB 3.47Å; N36-I39 PolarHBondContact O-N 3.39Å; I39-A41 PolarHBondContact O-N 3.14Å; I39-N42 PolarHBondContact O-N 3.42Å; I39-I43 HydrophobicContact CG2-CD1 3.7Å; I39-I43 HydrophobicContact CG2-CG1 4.21Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.4Å; I39-I43 PolarHBondContact O-N 3.42Å; I39-P75 HydrophobicContact CD1-CB 3.75Å; I39-W76 HydrophobicContact CD1-CZ2 4.47Å; I39-W76 HydrophobicContact CG1-CH2 3.93Å; I39-W76 HydrophobicContact CG1-CZ2 3.82Å; I39-V96 HydrophobicContact CD1-CG1 3.66Å; I39-V96 HydrophobicContact CG1-CG1 4.43Å; I39-V102 HydrophobicContact CG2-CG1 4.18Å; I39-V102 HydrophobicContact CG2-CG2 4.41Å; I39-Y106 HydrophobicContact CG2-CD1 4.03Å
40	L	81.2	Confident	76.4	Confident	23 Å²	23	59.6 Å²	59.6	12%	0.12	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-45.6	-179.4	-171.5	141.6	0	0	0	112.3	N36 A37 N42 I43 Q44 Y110	N36-L40 PolarHBondContact O-N 2.95Å; A37-L40 PolarHBondContact O-N 3.39Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3.46Å; L40-I43 PolarHBondContact O-N 3.34Å; L40-Q44 HydrophobicContact CD2-CG 4.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.27Å; L40-Q44 WeakPolarHBondContact O-CG 3.46Å; L40-Q44 PolarHBondContact O-N 3.25Å; L40-Y110 HydrophobicContact CD1-CD2 4.43Å; L40-Y110 HydrophobicContact CD1-CE2 3.81Å; L40-Y110 HydrophobicContact CG-CE2 4.29Å
41	A	82.5	Confident	77.5	Confident	50 Å²	50	57.6 Å²	57.6	41%	0.413	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-40.2	175.4	0	0	0	0	0	112	A37 I39 Q44 S45	A37-A41 VanDerWaalsContact O-CB 3.31Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.19Å; I39-A41 PolarHBondContact O-N 3.14Å; A41-Q44 PolarHBondContact O-N 3.34Å; A41-S45 WeakPolarHBondContact O-CB 3.42Å; A41-S45 PolarHBondContact O-N 2.88Å; A41-S45 PolarHBondContact O-OG 3.43Å
42	N	82.2	Confident	78.5	Confident	56 Å²	56	57.8 Å²	57.8	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-71.8	-34.5	177.2	-75.6	-53.4	0	0	0	113.2	L38 I39 L40 S45 S46 V102	L38-N42 WeakPolarHBondContact O-CB 3.06Å; L38-N42 PolarHBondContact O-N 2.94Å; L38-N42 VanDerWaalsContact O-N 3.14Å; L38-N42 PolarHBondContact O-ND2 3.13Å; I39-N42 PolarHBondContact O-N 3.42Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3.46Å; N42-S45 WeakPolarHBondContact CA-OG 3.31Å; N42-S45 PolarHBondContact O-N 3.26Å; N42-S45 PolarHBondContact O-OG 2.64Å; N42-S45 VanDerWaalsContact O-OG 3.11Å; N42-S46 WeakPolarHBondContact O-CB 3.48Å; N42-S46 PolarHBondContact O-N 3.3Å; N42-V102 HydrophobicContact CB-CG2 3.3Å
43	I	85.1	Confident	79.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-49.1	172.4	-68	167.3	0	0	0	109.4	L35 I39 L40 S45 S46 F49 V102 C107 Y110	L35-I43 HydrophobicContact CD1-CD1 4.49Å; I39-I43 HydrophobicContact CG2-CD1 3.7Å; I39-I43 HydrophobicContact CG2-CG1 4.21Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.4Å; I39-I43 PolarHBondContact O-N 3.42Å; L40-I43 PolarHBondContact O-N 3.34Å; I43-S45 VanDerWaalsContact C-N 3.29Å; I43-S45 PolarHBondContact O-N 2.97Å; I43-S46 WeakPolarHBondContact O-CB 3.39Å; I43-S46 PolarHBondContact O-N 2.95Å; I43-F49 HydrophobicContact CG2-CB 4.34Å; I43-F49 HydrophobicContact CG2-CD2 3.8Å; I43-F49 HydrophobicContact CG2-CE2 4.32Å; I43-F49 HydrophobicContact CG2-CG 4.03Å; I43-F49 VanDerWaalsContact O-CB 3.22Å; I43-F49 WeakPolarHBondContact O-CB 3.2Å; I43-V102 HydrophobicContact CD1-CG1 4.21Å; I43-V102 HydrophobicContact CG1-CB 4.27Å; I43-V102 HydrophobicContact CG1-CG1 3.59Å; I43-V102 HydrophobicContact CG1-CG2 4.33Å; I43-C107 HydrophobicContact CG2-CB 4.38Å; I43-Y110 HydrophobicContact CG2-CD1 3.77Å; I43-Y110 HydrophobicContact CG2-CG 4.19Å
44	Q	82.9	Confident	80.2	Confident	88 Å²	88	61.3 Å²	61.3	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-30.5	-178.9	-71.2	-179.7	-21.4	0	0	112.6	L40 A41 K50 Y110	L40-Q44 HydrophobicContact CD2-CG 4.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.27Å; L40-Q44 WeakPolarHBondContact O-CG 3.46Å; L40-Q44 PolarHBondContact O-N 3.25Å; A41-Q44 PolarHBondContact O-N 3.34Å; Q44-K50 WeakPolarHBondContact O-CE 3.48Å; Q44-K50 PolarHBondContact O-NZ 3.49Å; Q44-Y110 HydrophobicContact CG-CE1 4.22Å; Q44-Y110 PolarHBondContact NE2-OH 3.04Å
45	S	82.8	Confident	81	Confident	72 Å²	72	62.8 Å²	62.8	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-81.3	-20.6	175.1	71.2	0	0	0	0	113.2	A41 N42 I43 S47	A41-S45 WeakPolarHBondContact O-CB 3.42Å; A41-S45 PolarHBondContact O-N 2.88Å; A41-S45 PolarHBondContact O-OG 3.43Å; N42-S45 WeakPolarHBondContact CA-OG 3.31Å; N42-S45 PolarHBondContact O-N 3.26Å; N42-S45 PolarHBondContact O-OG 2.64Å; N42-S45 VanDerWaalsContact O-OG 3.11Å; I43-S45 VanDerWaalsContact C-N 3.29Å; I43-S45 PolarHBondContact O-N 2.97Å; S45-S47 PolarHBondContact O-N 3.14Å
46	S	81.7	Confident	81.5	Confident	32 Å²	32	62.5 Å²	62.5	22%	0.224	34%	0.339	C	S	.	.			trans	-63.8	131	-177.5	-178.4	0	0	0	0	112.9	N42 I43 Y48 F49 K50	N42-S46 WeakPolarHBondContact O-CB 3.48Å; N42-S46 PolarHBondContact O-N 3.3Å; I43-S46 WeakPolarHBondContact O-CB 3.39Å; I43-S46 PolarHBondContact O-N 2.95Å; S46-Y48 PolarHBondContact O-N 3.06Å; S46-Y48 PolarHBondContact OG-N 3.19Å; S46-F49 PolarHBondContact O-N 3.03Å; S46-K50 PolarHBondContact O-N 3.46Å
47	S	83.4	Confident	81.6	Confident	92 Å²	92	66.5 Å²	66.5	64%	0.643	35%	0.353	S	S	*	.	H	α-helix	trans	-60.7	-31.6	173.1	-54.9	0	0	0	0	112.3	S45 F49 K50 V51	S45-S47 PolarHBondContact O-N 3.14Å; S47-F49 VanDerWaalsContact C-N 3.31Å; S47-F49 PolarHBondContact O-N 3.37Å; S47-K50 PolarHBondContact O-N 2.9Å; S47-V51 WeakPolarHBondContact O-CB 3.44Å; S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.25Å
48	Y	82.6	Confident	81.9	Confident	44 Å²	44	66.3 Å²	66.3	17%	0.173	35%	0.345	C	S	.	.	I	π-helix	trans	-62.2	-40.5	177	-177.1	-108.6	0	0	0	111.2	S46 H52 L53 E65 T104 C107	S46-Y48 PolarHBondContact O-N 3.06Å; S46-Y48 PolarHBondContact OG-N 3.19Å; Y48-H52 HydrophobicContact CD2-CB 3.78Å; Y48-H52 HydrophobicContact CE2-CB 3.84Å; Y48-H52 HydrophobicContact CG-CB 4.47Å; Y48-H52 WeakPolarHBondContact O-CA 3.32Å; Y48-H52 VanDerWaalsContact O-CB 3.24Å; Y48-H52 WeakPolarHBondContact O-CB 3.49Å; Y48-H52 PolarHBondContact O-N 2.95Å; Y48-H52 VanDerWaalsContact O-N 3.1Å; Y48-L53 HydrophobicContact CD1-CD1 3.58Å; Y48-L53 HydrophobicContact CD1-CG 4.06Å; Y48-L53 HydrophobicContact CE1-CD1 3.53Å; Y48-L53 HydrophobicContact CE1-CD2 4.14Å; Y48-L53 HydrophobicContact CE1-CG 3.78Å; Y48-L53 PolarHBondContact O-N 3.44Å; Y48-E65 PolarHBondContact OH-OE2 3.33Å; Y48-T104 HydrophobicContact CD1-CG2 4.46Å; Y48-T104 HydrophobicContact CE1-CG2 4.07Å; Y48-C107 HydrophobicContact CD1-CB 4.07Å; Y48-C107 HydrophobicContact CE1-CB 4.36Å
49	F	83.6	Confident	82.1	Confident	29 Å²	29	63.5 Å²	63.5	13%	0.127	33%	0.328	C	S	.	.	I	π-helix	trans	-68	-47.3	176.7	-171	-98.9	0	0	0	112.5	I43 S46 S47 L53 F54 Y110 K111	I43-F49 HydrophobicContact CG2-CB 4.34Å; I43-F49 HydrophobicContact CG2-CD2 3.8Å; I43-F49 HydrophobicContact CG2-CE2 4.32Å; I43-F49 HydrophobicContact CG2-CG 4.03Å; I43-F49 VanDerWaalsContact O-CB 3.22Å; I43-F49 WeakPolarHBondContact O-CB 3.2Å; S46-F49 PolarHBondContact O-N 3.03Å; S47-F49 VanDerWaalsContact C-N 3.31Å; S47-F49 PolarHBondContact O-N 3.37Å; F49-L53 HydrophobicContact CB-CD1 4.32Å; F49-L53 HydrophobicContact CD2-CB 4.18Å; F49-L53 HydrophobicContact CD2-CD1 3.72Å; F49-L53 HydrophobicContact CG-CD1 4.46Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-F54 PolarHBondContact O-N 3.03Å; F49-Y110 HydrophobicContact CD2-CD1 4.34Å; F49-Y110 HydrophobicContact CE1-CD1 4.33Å; F49-Y110 HydrophobicContact CE1-CE1 4.2Å; F49-Y110 AromaticContact CE2-CD1 3.55Å; F49-Y110 HydrophobicContact CE2-CD1 3.55Å; F49-Y110 HydrophobicContact CE2-CE1 4.21Å; F49-Y110 AromaticContact CZ-CD1 3.54Å; F49-Y110 HydrophobicContact CZ-CD1 3.54Å; F49-Y110 AromaticContact CZ-CE1 3.7Å; F49-Y110 HydrophobicContact CZ-CE1 3.7Å; F49-K111 HydrophobicContact CE2-CB 4.03Å; F49-K111 HydrophobicContact CE2-CD 4.41Å
50	K	82.9	Confident	82.3	Confident	129 Å²	129	69.4 Å²	69.4	56%	0.561	36%	0.356	S	S	*	.	I	π-helix	trans	-72.7	-35.2	-176.1	-72.4	179.5	173.7	161.6	0	114.4	Q44 S46 S47 F54	Q44-K50 WeakPolarHBondContact O-CE 3.48Å; Q44-K50 PolarHBondContact O-NZ 3.49Å; S46-K50 PolarHBondContact O-N 3.46Å; S47-K50 PolarHBondContact O-N 2.9Å; K50-F54 WeakPolarHBondContact O-CB 3.24Å
51	V	82.8	Confident	82.6	Confident	78 Å²	78	72.1 Å²	72.1	47%	0.473	37%	0.368	S	S	.	.	I	π-helix	trans	-102.8	-43.5	-171.4	-176.9	0	0	0	0	112.1	S47 K55	S47-V51 WeakPolarHBondContact O-CB 3.44Å; S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.25Å; V51-K55 WeakPolarHBondContact O-CD 3.49Å; V51-K55 WeakPolarHBondContact O-CE 3.36Å; V51-K55 WeakPolarHBondContact O-CG 3.35Å
52	H	80.7	Confident	82.8	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.435	35%	0.348	S	S	.	.	I	π-helix	trans	-87.5	-60.8	-178	-114	-94	0	0	0	110.5	Y48 F54 K55 E65	Y48-H52 HydrophobicContact CD2-CB 3.78Å; Y48-H52 HydrophobicContact CE2-CB 3.84Å; Y48-H52 HydrophobicContact CG-CB 4.47Å; Y48-H52 WeakPolarHBondContact O-CA 3.32Å; Y48-H52 VanDerWaalsContact O-CB 3.24Å; Y48-H52 WeakPolarHBondContact O-CB 3.49Å; Y48-H52 PolarHBondContact O-N 2.95Å; Y48-H52 VanDerWaalsContact O-N 3.1Å; H52-F54 VanDerWaalsContact C-N 3.32Å; H52-F54 PolarHBondContact O-N 3.12Å; H52-K55 PolarHBondContact O-N 2.96Å; H52-E65 IonicContact ND1-OE1 3.2Å
53	L	81.8	Confident	82.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-68.7	-30	-173.9	-66.8	165.9	0	0	0	112.8	Y48 F49 K55 L56 C107 L108 K111	Y48-L53 HydrophobicContact CD1-CD1 3.58Å; Y48-L53 HydrophobicContact CD1-CG 4.06Å; Y48-L53 HydrophobicContact CE1-CD1 3.53Å; Y48-L53 HydrophobicContact CE1-CD2 4.14Å; Y48-L53 HydrophobicContact CE1-CG 3.78Å; Y48-L53 PolarHBondContact O-N 3.44Å; F49-L53 HydrophobicContact CB-CD1 4.32Å; F49-L53 HydrophobicContact CD2-CB 4.18Å; F49-L53 HydrophobicContact CD2-CD1 3.72Å; F49-L53 HydrophobicContact CG-CD1 4.46Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.49Å; L53-L56 HydrophobicContact CD2-CD1 4.36Å; L53-L56 PolarHBondContact O-N 2.85Å; L53-C107 HydrophobicContact CD1-CB 3.54Å; L53-L108 HydrophobicContact CD2-CD2 3.22Å; L53-L108 HydrophobicContact CD2-CG 3.83Å; L53-K111 HydrophobicContact CB-CD 4.37Å; L53-K111 HydrophobicContact CB-CG 4.37Å; L53-K111 HydrophobicContact CD2-CB 4.37Å; L53-K111 HydrophobicContact CD2-CG 4.4Å; L53-K111 VanDerWaalsContact O-CE 3.23Å; L53-K111 WeakPolarHBondContact O-CE 3.11Å; L53-K111 PolarHBondContact O-NZ 3.22Å
54	F	81.8	Confident	83	Confident	132 Å²	132	71.5 Å²	71.5	58%	0.579	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.2	179	-164.9	-101.3	0	0	0	113	F49 K50 H52	F49-F54 PolarHBondContact O-N 3.03Å; K50-F54 WeakPolarHBondContact O-CB 3.24Å; H52-F54 VanDerWaalsContact C-N 3.32Å; H52-F54 PolarHBondContact O-N 3.12Å
55	K	83	Confident	83.2	Confident	152 Å²	152	69.1 Å²	69.1	66%	0.661	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.5	178.9	-67.1	176.3	-176.8	175.8	0	112	V51 H52 L53 K57	V51-K55 WeakPolarHBondContact O-CD 3.49Å; V51-K55 WeakPolarHBondContact O-CE 3.36Å; V51-K55 WeakPolarHBondContact O-CG 3.35Å; H52-K55 PolarHBondContact O-N 2.96Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.49Å; K55-K57 PolarHBondContact O-N 2.95Å
56	L	81.8	Confident	83.4	Confident	20 Å²	20	65.7 Å²	65.7	11%	0.105	32%	0.323	C	S	.	.			trans	-74	112.6	-178.9	-51.1	166.4	0	0	0	109.2	L53 E61 V62 E65 K111	L53-L56 HydrophobicContact CD2-CD1 4.36Å; L53-L56 PolarHBondContact O-N 2.85Å; L56-E61 HydrophobicContact CB-CB 4.39Å; L56-E61 HydrophobicContact CD2-CB 3.92Å; L56-E61 HydrophobicContact CD2-CG 4.39Å; L56-V62 HydrophobicContact CB-CG2 4.03Å; L56-E65 HydrophobicContact CD1-CB 4.05Å; L56-E65 HydrophobicContact CD1-CG 3.56Å; L56-E65 HydrophobicContact CD2-CG 4.45Å; L56-K111 WeakPolarHBondContact O-CE 3.19Å; L56-K111 PolarHBondContact O-NZ 3.42Å
57	K	78.5	Confident	83.6	Confident	143 Å²	143	70 Å²	70	62%	0.622	34%	0.335	S	S	*	.			trans	-119.3	-18.8	179.1	-70.6	-178.8	-177.7	175.4	0	112.5	K55	K55-K57 PolarHBondContact O-N 2.95Å
58	T	83.1	Confident	83.7	Confident	70 Å²	70	73.4 Å²	73.4	43%	0.429	34%	0.335	S	S	.	.	S	Bend	trans	-85.2	146.3	178.5	71.8	0	0	0	0	110.5	H60 E61 V62	T58-H60 VanDerWaalsContact C-N 3.31Å; T58-H60 PolarHBondContact O-N 2.86Å; T58-E61 WeakPolarHBondContact CB-OE2 3.41Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.47Å; T58-E61 PolarHBondContact N-OE2 2.99Å; T58-E61 PolarHBondContact O-N 2.98Å; T58-E61 VanDerWaalsContact OG1-CB 3.27Å; T58-E61 WeakPolarHBondContact OG1-CB 3.42Å; T58-E61 WeakPolarHBondContact OG1-CG 3.46Å; T58-E61 PolarHBondContact OG1-N 3.12Å; T58-E61 PolarHBondContact OG1-OE2 2.95Å; T58-V62 WeakPolarHBondContact O-CG2 3.5Å; T58-V62 PolarHBondContact O-N 3Å
59	Y	80.6	Confident	83.8	Confident	25 Å²	25	75.1 Å²	75.1	10%	0.098	35%	0.345	C	S	.	.	H	α-helix	trans	-57.1	-45.6	177.3	165.6	-98.7	0	0	0	111.5	V62 V63 L117 Q121 L125 H128	Y59-V62 PolarHBondContact O-N 3.07Å; Y59-V63 HydrophobicContact CD1-CG2 4.29Å; Y59-V63 HydrophobicContact CD2-CG2 4.11Å; Y59-V63 HydrophobicContact CE1-CG2 3.85Å; Y59-V63 HydrophobicContact CE2-CG2 3.69Å; Y59-V63 HydrophobicContact CG-CG2 4.4Å; Y59-V63 VanDerWaalsContact O-CG2 3.3Å; Y59-V63 WeakPolarHBondContact O-CG2 3.36Å; Y59-V63 PolarHBondContact O-N 2.63Å; Y59-L117 HydrophobicContact CD2-CD2 3.77Å; Y59-Q121 HydrophobicContact CD2-CB 4.21Å; Y59-Q121 HydrophobicContact CD2-CG 4.48Å; Y59-Q121 HydrophobicContact CE2-CB 4.16Å; Y59-Q121 PolarHBondContact OH-O 2.92Å; Y59-L125 HydrophobicContact CE2-CD1 3.96Å; Y59-L125 PolarHBondContact OH-N 3.39Å; Y59-H128 PolarHBondContact OH-CD2 2.7Å; Y59-H128 PolarHBondContact OH-NE2 2.86Å
60	H	82.9	Confident	83.8	Confident	129 Å²	129	74 Å²	74	60%	0.597	34%	0.34	S	S	*	.	H	α-helix	trans	-62.4	-45.5	-177.4	-62.1	-73.9	0	0	0	112.3	T58 V62 V63 D64	T58-H60 VanDerWaalsContact C-N 3.31Å; T58-H60 PolarHBondContact O-N 2.86Å; H60-V62 VanDerWaalsContact C-N 3.3Å; H60-V62 PolarHBondContact O-N 2.92Å; H60-V63 WeakPolarHBondContact O-CB 3.32Å; H60-V63 PolarHBondContact O-N 2.99Å; H60-V63 VanDerWaalsContact O-N 3.13Å; H60-D64 PolarHBondContact O-N 3.28Å
61	E	87.8	Confident	83.7	Confident	79 Å²	79	75.5 Å²	75.5	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-40.4	176.2	-76.2	172.6	129.9	0	0	112.6	L56 T58 D64 E65	L56-E61 HydrophobicContact CB-CB 4.39Å; L56-E61 HydrophobicContact CD2-CB 3.92Å; L56-E61 HydrophobicContact CD2-CG 4.39Å; T58-E61 WeakPolarHBondContact CB-OE2 3.41Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.47Å; T58-E61 PolarHBondContact N-OE2 2.99Å; T58-E61 PolarHBondContact O-N 2.98Å; T58-E61 VanDerWaalsContact OG1-CB 3.27Å; T58-E61 WeakPolarHBondContact OG1-CB 3.42Å; T58-E61 WeakPolarHBondContact OG1-CG 3.46Å; T58-E61 PolarHBondContact OG1-N 3.12Å; T58-E61 PolarHBondContact OG1-OE2 2.95Å; E61-D64 PolarHBondContact O-N 3.37Å; E61-E65 WeakPolarHBondContact O-CB 3.46Å; E61-E65 WeakPolarHBondContact O-CG 3.41Å; E61-E65 PolarHBondContact O-N 3.29Å
62	V	86.1	Confident	83.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-69.4	-37.3	178.2	-177.5	0	0	0	0	110.6	L56 T58 Y59 H60 E65 I66 L108 L112 L115	L56-V62 HydrophobicContact CB-CG2 4.03Å; T58-V62 WeakPolarHBondContact O-CG2 3.5Å; T58-V62 PolarHBondContact O-N 3Å; Y59-V62 PolarHBondContact O-N 3.07Å; H60-V62 VanDerWaalsContact C-N 3.3Å; H60-V62 PolarHBondContact O-N 2.92Å; V62-E65 PolarHBondContact O-N 3.37Å; V62-I66 HydrophobicContact CG1-CD1 4.14Å; V62-I66 WeakPolarHBondContact O-CD1 3.01Å; V62-I66 WeakPolarHBondContact O-CG1 3.42Å; V62-I66 PolarHBondContact O-N 2.8Å; V62-L108 HydrophobicContact CG1-CD2 4.02Å; V62-L112 HydrophobicContact CB-CD2 4.32Å; V62-L112 HydrophobicContact CG1-CD2 3.52Å; V62-L112 HydrophobicContact CG1-CG 4.08Å; V62-L115 HydrophobicContact CG2-CD1 4.03Å
63	V	84.8	Confident	83.4	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-43.9	174.7	173	0	0	0	0	111.3	Y59 H60 I66 Y67 L125 I134	Y59-V63 HydrophobicContact CD1-CG2 4.29Å; Y59-V63 HydrophobicContact CD2-CG2 4.11Å; Y59-V63 HydrophobicContact CE1-CG2 3.85Å; Y59-V63 HydrophobicContact CE2-CG2 3.69Å; Y59-V63 HydrophobicContact CG-CG2 4.4Å; Y59-V63 VanDerWaalsContact O-CG2 3.3Å; Y59-V63 WeakPolarHBondContact O-CG2 3.36Å; Y59-V63 PolarHBondContact O-N 2.63Å; H60-V63 WeakPolarHBondContact O-CB 3.32Å; H60-V63 PolarHBondContact O-N 2.99Å; H60-V63 VanDerWaalsContact O-N 3.13Å; V63-I66 WeakPolarHBondContact O-CB 3.4Å; V63-I66 PolarHBondContact O-N 3.45Å; V63-Y67 PolarHBondContact O-N 3.36Å; V63-L125 HydrophobicContact CG2-CD1 3.63Å; V63-I134 HydrophobicContact CG1-CD1 3.79Å; V63-I134 HydrophobicContact CG1-CG1 4.41Å; V63-I134 HydrophobicContact CG1-CG2 4.46Å
64	D	86.9	Confident	83.2	Confident	88 Å²	88	75.2 Å²	75.2	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-44.2	176.7	-68.1	-18.7	0	0	0	110.5	H60 E61 I66 Y67 Y68	H60-D64 PolarHBondContact O-N 3.28Å; E61-D64 PolarHBondContact O-N 3.37Å; D64-I66 VanDerWaalsContact C-N 3.32Å; D64-I66 PolarHBondContact O-N 3.28Å; D64-Y67 WeakPolarHBondContact O-CA 3.37Å; D64-Y67 VanDerWaalsContact O-CB 3.26Å; D64-Y67 WeakPolarHBondContact O-CB 3.37Å; D64-Y67 PolarHBondContact O-N 3.33Å; D64-Y68 WeakPolarHBondContact O-CD2 3.48Å; D64-Y68 PolarHBondContact O-N 3.22Å
65	E	87.6	Confident	82.8	Confident	37 Å²	37	70.3 Å²	70.3	17%	0.173	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-34.6	176.6	-80.8	-90.3	-178.8	0	0	112.8	Y48 H52 L56 E61 V62 Y67 Y68 Q69 L108	Y48-E65 PolarHBondContact OH-OE2 3.33Å; H52-E65 IonicContact ND1-OE1 3.2Å; L56-E65 HydrophobicContact CD1-CB 4.05Å; L56-E65 HydrophobicContact CD1-CG 3.56Å; L56-E65 HydrophobicContact CD2-CG 4.45Å; E61-E65 WeakPolarHBondContact O-CB 3.46Å; E61-E65 WeakPolarHBondContact O-CG 3.41Å; E61-E65 PolarHBondContact O-N 3.29Å; V62-E65 PolarHBondContact O-N 3.37Å; E65-Y67 VanDerWaalsContact C-N 3.31Å; E65-Y67 PolarHBondContact O-N 3.5Å; E65-Y68 PolarHBondContact O-N 3.14Å; E65-Q69 VanDerWaalsContact O-CB 3.24Å; E65-Q69 WeakPolarHBondContact O-CB 3.24Å; E65-Q69 PolarHBondContact O-N 3.35Å; E65-Q69 WeakPolarHBondContact OE2-CG 3.47Å; E65-L108 HydrophobicContact CB-CD2 4.38Å
66	I	87.4	Confident	82.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-45	169.3	-68.3	160.1	0	0	0	110.2	V62 V63 D64 Y68 V70 L108 L112 I134 L137	V62-I66 HydrophobicContact CG1-CD1 4.14Å; V62-I66 WeakPolarHBondContact O-CD1 3.01Å; V62-I66 WeakPolarHBondContact O-CG1 3.42Å; V62-I66 PolarHBondContact O-N 2.8Å; V63-I66 WeakPolarHBondContact O-CB 3.4Å; V63-I66 PolarHBondContact O-N 3.45Å; D64-I66 VanDerWaalsContact C-N 3.32Å; D64-I66 PolarHBondContact O-N 3.28Å; I66-Y68 PolarHBondContact O-N 3.02Å; I66-V70 HydrophobicContact CB-CG2 4.39Å; I66-V70 HydrophobicContact CG2-CB 4.36Å; I66-V70 HydrophobicContact CG2-CG2 4.02Å; I66-V70 WeakPolarHBondContact O-CB 3.49Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 3.42Å; I66-V70 VanDerWaalsContact O-N 3.12Å; I66-L108 HydrophobicContact CG1-CB 4.17Å; I66-L108 HydrophobicContact CG1-CD1 3.89Å; I66-L108 HydrophobicContact CG1-CD2 4.02Å; I66-L108 HydrophobicContact CG1-CG 4.27Å; I66-L112 HydrophobicContact CD1-CD1 3.88Å; I66-L112 HydrophobicContact CD1-CD2 4.38Å; I66-L112 HydrophobicContact CD1-CG 4.48Å; I66-I134 HydrophobicContact CB-CG1 4.19Å; I66-I134 HydrophobicContact CG2-CB 4.44Å; I66-I134 HydrophobicContact CG2-CG1 3.55Å; I66-L137 HydrophobicContact CB-CD1 4.45Å; I66-L137 HydrophobicContact CD1-CD1 3.81Å; I66-L137 HydrophobicContact CG1-CD1 3.92Å; I66-L137 HydrophobicContact CG2-CD1 3.62Å
67	Y	85.4	Confident	82.2	Confident	123 Å²	123	64.8 Å²	64.8	48%	0.482	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-45.6	179.5	-176	-87.7	0	0	0	112.1	V63 D64 E65 D130 I134	V63-Y67 PolarHBondContact O-N 3.36Å; D64-Y67 WeakPolarHBondContact O-CA 3.37Å; D64-Y67 VanDerWaalsContact O-CB 3.26Å; D64-Y67 WeakPolarHBondContact O-CB 3.37Å; D64-Y67 PolarHBondContact O-N 3.33Å; E65-Y67 VanDerWaalsContact C-N 3.31Å; E65-Y67 PolarHBondContact O-N 3.5Å; Y67-D130 HydrophobicContact CD2-CB 4.26Å; Y67-D130 HydrophobicContact CE2-CB 4.16Å; Y67-D130 VanDerWaalsContact CE2-O 3.29Å; Y67-D130 WeakPolarHBondContact CE2-O 3.1Å; Y67-I134 HydrophobicContact CD2-CD1 4.35Å
68	Y	86.1	Confident	81.5	Confident	164 Å²	164	67.8 Å²	67.8	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-82.8	-36.8	-174.9	-74.1	-72.1	0	0	0	114.1	D64 E65 I66	D64-Y68 WeakPolarHBondContact O-CD2 3.48Å; D64-Y68 PolarHBondContact O-N 3.22Å; E65-Y68 PolarHBondContact O-N 3.14Å; I66-Y68 PolarHBondContact O-N 3.02Å
69	Q	83.8	Confident	80.5	Confident	80 Å²	80	68.2 Å²	68.2	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-99.1	-25.1	-170.9	-61.7	-64.9	-25.5	0	0	114.2	E65 K71 T104	E65-Q69 VanDerWaalsContact O-CB 3.24Å; E65-Q69 WeakPolarHBondContact O-CB 3.24Å; E65-Q69 PolarHBondContact O-N 3.35Å; E65-Q69 WeakPolarHBondContact OE2-CG 3.47Å; Q69-K71 PolarHBondContact O-N 2.93Å; Q69-T104 PolarHBondContact O-OG1 3.39Å
70	V	84.1	Confident	79.5	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.024	33%	0.328	C	S	.	.			trans	-84.4	105	-176.9	-179.8	0	0	0	0	110.3	I66 M73 A105 L108 Y133	I66-V70 HydrophobicContact CB-CG2 4.39Å; I66-V70 HydrophobicContact CG2-CB 4.36Å; I66-V70 HydrophobicContact CG2-CG2 4.02Å; I66-V70 WeakPolarHBondContact O-CB 3.49Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 3.42Å; I66-V70 VanDerWaalsContact O-N 3.12Å; V70-M73 HydrophobicContact CG1-SD 4.44Å; V70-A105 HydrophobicContact CG1-CB 3.88Å; V70-A105 HydrophobicContact CG2-CB 4.16Å; V70-L108 HydrophobicContact CG2-CD1 3.5Å; V70-L108 VanDerWaalsContact CG2-CD1 3.5Å; V70-Y133 HydrophobicContact CB-CG 4.47Å; V70-Y133 HydrophobicContact CG1-CD1 3.85Å; V70-Y133 HydrophobicContact CG1-CD2 4.46Å; V70-Y133 HydrophobicContact CG1-CG 3.79Å; V70-Y133 WeakPolarHBondContact O-CD2 3.44Å
71	K	81.1	Confident	78.5	Confident	162 Å²	162	67.8 Å²	67.8	70%	0.704	32%	0.321	S	S	*	.	S	Bend	trans	-103.8	-19.5	174.4	-63.2	178.2	-178.3	174.9	0	112.8	Q69 Y133	Q69-K71 PolarHBondContact O-N 2.93Å; K71-Y133 PolarHBondContact O-OH 3.14Å
72	H	80.7	Confident	77.1	Confident	40 Å²	40	71.2 Å²	71.2	19%	0.185	33%	0.334	C	S	.	.			trans	-148.2	154.9	-179.8	60.7	81	0	0	0	110.6	E77 S103 A105	H72-E77 IonicContact CD2-OE2 4Å; H72-E77 IonicContact CE1-OE1 3.04Å; H72-E77 PolarHBondContact CE1-OE1 3.09Å; H72-E77 VanDerWaalsContact CE1-OE1 3.24Å; H72-E77 IonicContact CE1-OE2 3.01Å; H72-E77 IonicContact NE2-OE1 3.24Å; H72-E77 PolarHBondContact NE2-OE1 2.87Å; H72-E77 IonicContact NE2-OE2 3.53Å; H72-E77 PolarHBondContact NE2-OE2 2.9Å; H72-S103 WeakPolarHBondContact CE1-CB 3.36Å; H72-A105 VanDerWaalsContact O-CB 3.32Å; H72-A105 WeakPolarHBondContact O-CB 3.49Å
73	M	76.2	Confident	75.6	Confident	67 Å²	67	75.2 Å²	75.2	33%	0.33	36%	0.359	S	S	.	.			trans	-107.2	25.6	178.8	-69.6	-82.6	-66.8	0	0	111.1	V70 A105 Y133 A136 L137	V70-M73 HydrophobicContact CG1-SD 4.44Å; M73-A105 HydrophobicContact SD-CB 4.36Å; M73-Y133 HydrophobicContact CG-CD1 3.72Å; M73-Y133 HydrophobicContact CG-CE1 4.19Å; M73-Y133 HydrophobicContact SD-CD1 4.34Å; M73-A136 HydrophobicContact CE-CB 3.74Å; M73-A136 HydrophobicContact SD-CB 4.37Å; M73-L137 HydrophobicContact CE-CD2 3.91Å; M73-L137 HydrophobicContact CE-CG 4.26Å; M73-L137 HydrophobicContact SD-CD2 3.93Å; M73-L137 HydrophobicContact SD-CG 4.09Å
74	E	77.4	Confident	73.8	Confident	58 Å²	58	80.1 Å²	80.1	27%	0.271	39%	0.394	S	S	.	.			trans	-83.9	147.7	177.4	-65.7	-172	-164	0	0	110	W76 R78 R81 S103	E74-W76 PolarHBondContact O-N 2.91Å; E74-R78 IonicContact OE1-NH2 3.17Å; E74-R81 IonicContact OE2-NH2 2.8Å; E74-R81 PolarHBondContact OE2-NH2 3.29Å; E74-S103 WeakPolarHBondContact O-CB 3.33Å; E74-S103 PolarHBondContact O-OG 3.25Å
75	P	73.7	Confident	72.3	Confident	29 Å²	29	79.6 Å²	79.6	19%	0.188	41%	0.409	C	S	.	.	S	Bend	trans	-66.4	-25.3	177.3	21.9	-30.3	0	0	0	113.6	I39 S103 Y106	I39-P75 HydrophobicContact CD1-CB 3.75Å; P75-S103 PolarHBondContact O-N 3.45Å; P75-Y106 HydrophobicContact CB-CD2 4.2Å; P75-Y106 HydrophobicContact CB-CE1 4.3Å; P75-Y106 HydrophobicContact CB-CE2 3.85Å
76	W	75.4	Confident	70.6	Confident	1 Å²	1	83.4 Å²	83.4	0%	0.004	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-121.5	143.7	-178.2	-53.4	109.8	0	0	0	110.3	I39 E74 R78 R81 G95 G100 V102	I39-W76 HydrophobicContact CD1-CZ2 4.47Å; I39-W76 HydrophobicContact CG1-CH2 3.93Å; I39-W76 HydrophobicContact CG1-CZ2 3.82Å; E74-W76 PolarHBondContact O-N 2.91Å; W76-R78 PolarHBondContact O-N 3.1Å; W76-R81 HydrophobicContact CB-CG 4.25Å; W76-G95 PolarHBondContact NE1-O 3.2Å; W76-G95 VanDerWaalsContact NE1-O 3.11Å; W76-G100 VanDerWaalsContact CZ3-N 3.33Å; W76-G100 WeakPolarHBondContact CZ3-O 3.35Å; W76-V102 HydrophobicContact CE3-CG2 4.24Å; W76-V102 HydrophobicContact CZ3-CG2 3.79Å
77	E	76.1	Confident	68.7	Low	56 Å²	56	90.2 Å²	90.2	26%	0.262	47%	0.469	S	S	.	.			trans	-59.1	134.9	170.3	-76.7	-60.7	146.3	0	0	111.1	H72 G79 S80 I101 S103	H72-E77 IonicContact CD2-OE2 4Å; H72-E77 IonicContact CE1-OE1 3.04Å; H72-E77 PolarHBondContact CE1-OE1 3.09Å; H72-E77 VanDerWaalsContact CE1-OE1 3.24Å; H72-E77 IonicContact CE1-OE2 3.01Å; H72-E77 IonicContact NE2-OE1 3.24Å; H72-E77 PolarHBondContact NE2-OE1 2.87Å; H72-E77 IonicContact NE2-OE2 3.53Å; H72-E77 PolarHBondContact NE2-OE2 2.9Å; E77-G79 PolarHBondContact O-N 2.95Å; E77-S80 WeakPolarHBondContact O-CB 3.18Å; E77-S80 PolarHBondContact O-N 2.74Å; E77-I101 HydrophobicContact CB-CB 4.45Å; E77-I101 HydrophobicContact CG-CB 4.5Å; E77-I101 HydrophobicContact CG-CG2 4.12Å; E77-I101 PolarHBondContact N-O 3.43Å; E77-S103 WeakPolarHBondContact OE1-CA 3.41Å
78	R	64.3	Low	67.4	Low	206 Å²	206	86.6 Å²	86.6	78%	0.777	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	122.1	-177.2	-175.2	179.3	-83.5	-153.9	-2.7	109.3	E74 W76 S80	E74-R78 IonicContact OE1-NH2 3.17Å; W76-R78 PolarHBondContact O-N 3.1Å; R78-S80 VanDerWaalsContact C-N 3.35Å
79	G	62.5	Low	65.5	Low	79 Å²	79	88.7 Å²	88.7	81%	0.814	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-6.5	-177.1	0	0	0	0	0	115.2	E77	E77-G79 PolarHBondContact O-N 2.95Å
80	S	59.9	Low	64.1	Low	26 Å²	26	89.3 Å²	89.3	18%	0.182	50%	0.498	C	S	.	.			trans	-89.4	-0.2	175.9	-172.6	0	0	0	0	114.1	E77 R78 K82 G100 I101	E77-S80 WeakPolarHBondContact O-CB 3.18Å; E77-S80 PolarHBondContact O-N 2.74Å; R78-S80 VanDerWaalsContact C-N 3.35Å; S80-K82 PolarHBondContact O-N 3.14Å; S80-G100 VanDerWaalsContact O-CA 3.22Å; S80-G100 WeakPolarHBondContact O-CA 3.21Å; S80-I101 VanDerWaalsContact OG-CB 3.27Å; S80-I101 WeakPolarHBondContact OG-CB 3.33Å; S80-I101 WeakPolarHBondContact OG-CD1 3.31Å; S80-I101 WeakPolarHBondContact OG-CG1 3.34Å; S80-I101 PolarHBondContact OG-N 3.11Å
81	R	61.1	Low	62.5	Low	119 Å²	119	90.9 Å²	90.9	45%	0.449	52%	0.516	S	S	.	.			trans	-63.6	110.7	177.7	-67.6	-180	-172.6	164.8	6.1	108.4	E74 W76 T83	E74-R81 IonicContact OE2-NH2 2.8Å; E74-R81 PolarHBondContact OE2-NH2 3.29Å; W76-R81 HydrophobicContact CB-CG 4.25Å; R81-T83 PolarHBondContact O-N 3.31Å
82	K	58.9	Low	61	Low	150 Å²	150	86.8 Å²	86.8	65%	0.652	52%	0.52	S	S	*	.			trans	-74.9	81.6	168.7	-55.5	-175.5	-178.7	-177.4	0	107.2	S80 S84 G99	S80-K82 PolarHBondContact O-N 3.14Å; K82-S84 PolarHBondContact O-N 2.93Å; K82-G99 WeakPolarHBondContact CB-O 3.09Å; K82-G99 WeakPolarHBondContact CG-O 3.23Å; K82-G99 PolarHBondContact N-O 3.13Å; K82-G99 VanDerWaalsContact N-O 3.08Å
83	T	54.6	Low	59.7	Low	85 Å²	85	90.2 Å²	90.2	52%	0.521	54%	0.543	S	S	.	.			trans	-75.4	1.1	165.6	-64.2	0	0	0	0	111	R81 G85 Q86	R81-T83 PolarHBondContact O-N 3.31Å; T83-G85 VanDerWaalsContact C-N 3.29Å; T83-G85 PolarHBondContact O-N 3.15Å; T83-Q86 PolarHBondContact O-N 3.23Å
84	S	47.1	Very low	58.7	Low	109 Å²	109	97.7 Å²	97.7	76%	0.762	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	84.6	176	61.2	0	0	0	0	110.8	K82	K82-S84 PolarHBondContact O-N 2.93Å
85	G	55.3	Low	57.6	Low	76 Å²	76	97 Å²	97	78%	0.784	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.5	-13.3	170.7	0	0	0	0	0	116.5	T83	T83-G85 VanDerWaalsContact C-N 3.29Å; T83-G85 PolarHBondContact O-N 3.15Å
86	Q	52.4	Low	56.6	Low	117 Å²	117	98.2 Å²	98.2	55%	0.547	58%	0.583	S	S	.	*			trans	-109.4	70.2	176	-92.3	-158.8	-9.8	0	0	111.7	T83	T83-Q86 PolarHBondContact O-N 3.23Å
87	T	47.9	Very low	55.6	Low	144 Å²	144	100.1 Å²	100.1	88%	0.883	60%	0.603	S	S	*	*			trans	-97.2	86.9	160.9	-59.3	0	0	0	0	107.4
88	G	56.8	Low	54.6	Low	46 Å²	46	98.5 Å²	98.5	47%	0.474	60%	0.6	S	S	.	*	S	Bend	trans	-151.9	155.1	174	0	0	0	0	0	109.7	C90 G91	G88-C90 PolarHBondContact O-N 3.35Å; G88-G91 PolarHBondContact O-N 2.89Å
89	M	46.9	Very low	54.5	Low	209 Å²	209	90.3 Å²	90.3	100%	1.03	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-9.1	-169.8	-140.4	111	136.8	0	0	116
90	C	53.3	Low	54.8	Low	92 Å²	92	87 Å²	87	62%	0.622	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-1.1	178.5	58.1	0	0	0	0	114.9	G88 G92 V93	G88-C90 PolarHBondContact O-N 3.35Å; C90-G92 PolarHBondContact O-N 2.99Å; C90-V93 WeakPolarHBondContact O-CG2 3.41Å; C90-V93 PolarHBondContact O-N 2.71Å
91	G	51.6	Low	55.5	Low	38 Å²	38	91 Å²	91	39%	0.392	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-10.4	-178.1	0	0	0	0	0	115.1	G88	G88-G91 PolarHBondContact O-N 2.89Å
92	G	49.4	Very low	56.4	Low	76 Å²	76	86 Å²	86	78%	0.784	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-15.4	179.6	0	0	0	0	0	115.1	C90	C90-G92 PolarHBondContact O-N 2.99Å
93	V	52.1	Low	57.6	Low	111 Å²	111	78.8 Å²	78.8	67%	0.673	51%	0.514	S	S	*	.	S	Bend	trans	-101.6	111	-177.3	-92.3	0	0	0	0	110	C90	C90-V93 WeakPolarHBondContact O-CG2 3.41Å; C90-V93 PolarHBondContact O-N 2.71Å
94	R	55.9	Low	59.1	Low	224 Å²	224	76 Å²	76	85%	0.845	50%	0.497	S	S	*	.			trans	72.9	83.7	-176	-53	175.8	178.7	173.7	-0.7	112.3	V96	R94-V96 HydrophobicContact CB-CG2 4.48Å; R94-V96 PolarHBondContact O-N 3.46Å
95	G	53.8	Low	60.9	Low	45 Å²	45	70.8 Å²	70.8	46%	0.464	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	32.5	172.5	0	0	0	0	0	116.1	W76	W76-G95 PolarHBondContact NE1-O 3.2Å; W76-G95 VanDerWaalsContact NE1-O 3.11Å
96	V	54.4	Low	62.3	Low	53 Å²	53	70.1 Å²	70.1	32%	0.321	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-12.3	175	-154.5	0	0	0	0	111.1	N36 I39 R94	N36-V96 HydrophobicContact CB-CG1 3.63Å; N36-V96 VanDerWaalsContact ND2-CG1 3.28Å; N36-V96 WeakPolarHBondContact ND2-CG1 3.01Å; N36-V96 PolarHBondContact ND2-O 2.8Å; I39-V96 HydrophobicContact CD1-CG1 3.66Å; I39-V96 HydrophobicContact CG1-CG1 4.43Å; R94-V96 HydrophobicContact CB-CG2 4.48Å; R94-V96 PolarHBondContact O-N 3.46Å
97	G	53.3	Low	63.9	Low	42 Å²	42	64.7 Å²	64.7	43%	0.433	41%	0.41	S	S	.	.	S	Bend	trans	-90.2	-21	-176.9	0	0	0	0	0	116.2	G99	G97-G99 PolarHBondContact O-N 3.24Å
98	A	55.9	Low	65.7	Low	22 Å²	22	57.8 Å²	57.8	18%	0.182	37%	0.368	C	S	.	.	S	Bend	trans	-83.4	102.6	178.7	0	0	0	0	0	109.7	G100	A98-G100 PolarHBondContact O-N 3.01Å
99	G	62.4	Low	67	Low	33 Å²	33	56.2 Å²	56.2	34%	0.34	35%	0.348	S	S	.	.			trans	-56.5	131.5	179.8	0	0	0	0	0	112.4	K82 G97	K82-G99 WeakPolarHBondContact CB-O 3.09Å; K82-G99 WeakPolarHBondContact CG-O 3.23Å; K82-G99 PolarHBondContact N-O 3.13Å; K82-G99 VanDerWaalsContact N-O 3.08Å; G97-G99 PolarHBondContact O-N 3.24Å
100	G	67.4	Low	68.8	Low	9 Å²	9	47.4 Å²	47.4	9%	0.093	30%	0.303	C	S	.	.			trans	-148.4	-175.9	177.2	0	0	0	0	0	111.4	W76 S80 A98 V102	W76-G100 VanDerWaalsContact CZ3-N 3.33Å; W76-G100 WeakPolarHBondContact CZ3-O 3.35Å; S80-G100 VanDerWaalsContact O-CA 3.22Å; S80-G100 WeakPolarHBondContact O-CA 3.21Å; A98-G100 PolarHBondContact O-N 3.01Å; G100-V102 PolarHBondContact O-N 2.98Å
101	I	76	Confident	70.3	Confident	111 Å²	111	43.6 Å²	43.6	57%	0.569	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-69.2	128.1	168.8	-62	164.4	0	0	0	107.4	E77 S80	E77-I101 HydrophobicContact CB-CB 4.45Å; E77-I101 HydrophobicContact CG-CB 4.5Å; E77-I101 HydrophobicContact CG-CG2 4.12Å; E77-I101 PolarHBondContact N-O 3.43Å; S80-I101 VanDerWaalsContact OG-CB 3.27Å; S80-I101 WeakPolarHBondContact OG-CB 3.33Å; S80-I101 WeakPolarHBondContact OG-CD1 3.31Å; S80-I101 WeakPolarHBondContact OG-CG1 3.34Å; S80-I101 PolarHBondContact OG-N 3.11Å
102	V	79.4	Confident	71.7	Confident	13 Å²	13	41.9 Å²	41.9	8%	0.079	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-71.7	143	178.4	-179.9	0	0	0	0	109.7	I39 N42 I43 W76 G100	I39-V102 HydrophobicContact CG2-CG1 4.18Å; I39-V102 HydrophobicContact CG2-CG2 4.41Å; N42-V102 HydrophobicContact CB-CG2 3.3Å; I43-V102 HydrophobicContact CD1-CG1 4.21Å; I43-V102 HydrophobicContact CG1-CB 4.27Å; I43-V102 HydrophobicContact CG1-CG1 3.59Å; I43-V102 HydrophobicContact CG1-CG2 4.33Å; W76-V102 HydrophobicContact CE3-CG2 4.24Å; W76-V102 HydrophobicContact CZ3-CG2 3.79Å; G100-V102 PolarHBondContact O-N 2.98Å
103	S	84	Confident	73.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-66.5	154.8	177.1	72.5	0	0	0	0	113.6	H72 E74 P75 E77 A105 Y106 C107	H72-S103 WeakPolarHBondContact CE1-CB 3.36Å; E74-S103 WeakPolarHBondContact O-CB 3.33Å; E74-S103 PolarHBondContact O-OG 3.25Å; P75-S103 PolarHBondContact O-N 3.45Å; E77-S103 WeakPolarHBondContact OE1-CA 3.41Å; S103-A105 VanDerWaalsContact C-N 3.25Å; S103-A105 PolarHBondContact O-N 3.42Å; S103-Y106 PolarHBondContact O-N 3.25Å; S103-Y106 PolarHBondContact OG-N 3.35Å; S103-C107 PolarHBondContact O-N 2.61Å; S103-C107 PolarHBondContact O-SG 3.41Å
104	T	85.5	Confident	74.4	Confident	25 Å²	25	37.6 Å²	37.6	15%	0.153	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-37.4	171.5	53.5	0	0	0	0	111.9	Y48 Q69 Y106 C107 L108	Y48-T104 HydrophobicContact CD1-CG2 4.46Å; Y48-T104 HydrophobicContact CE1-CG2 4.07Å; Q69-T104 PolarHBondContact O-OG1 3.39Å; T104-Y106 PolarHBondContact O-N 3.21Å; T104-C107 PolarHBondContact O-N 3.48Å; T104-L108 WeakPolarHBondContact O-CB 3.41Å; T104-L108 WeakPolarHBondContact O-CD1 3.11Å; T104-L108 WeakPolarHBondContact O-CG 3.43Å; T104-L108 PolarHBondContact O-N 3.3Å
105	A	84.7	Confident	75.4	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-46	179.2	0	0	0	0	0	113.1	V70 H72 M73 S103 L108 L109	V70-A105 HydrophobicContact CG1-CB 3.88Å; V70-A105 HydrophobicContact CG2-CB 4.16Å; H72-A105 VanDerWaalsContact O-CB 3.32Å; H72-A105 WeakPolarHBondContact O-CB 3.49Å; M73-A105 HydrophobicContact SD-CB 4.36Å; S103-A105 VanDerWaalsContact C-N 3.25Å; S103-A105 PolarHBondContact O-N 3.42Å; A105-L108 PolarHBondContact O-N 2.98Å; A105-L109 WeakPolarHBondContact O-CB 3.22Å; A105-L109 PolarHBondContact O-N 3.39Å
106	Y	84.9	Confident	76.4	Confident	62 Å²	62	34.5 Å²	34.5	24%	0.243	19%	0.193	C	C	.	.	H	α-helix	trans	-71.7	-34.1	178.3	-92	-104.9	0	0	0	112.3	L35 I39 P75 S103 T104 L109 Y110	L35-Y106 HydrophobicContact CD2-CD1 3.81Å; L35-Y106 HydrophobicContact CD2-CE1 3.51Å; I39-Y106 HydrophobicContact CG2-CD1 4.03Å; P75-Y106 HydrophobicContact CB-CD2 4.2Å; P75-Y106 HydrophobicContact CB-CE1 4.3Å; P75-Y106 HydrophobicContact CB-CE2 3.85Å; S103-Y106 PolarHBondContact O-N 3.25Å; S103-Y106 PolarHBondContact OG-N 3.35Å; T104-Y106 PolarHBondContact O-N 3.21Å; Y106-L109 PolarHBondContact O-N 3.44Å; Y106-Y110 PolarHBondContact O-N 3.06Å
107	C	86.6	Confident	77.3	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-43.7	172.6	-65	0	0	0	0	111.7	I43 Y48 L53 S103 T104 Y110 K111	I43-C107 HydrophobicContact CG2-CB 4.38Å; Y48-C107 HydrophobicContact CD1-CB 4.07Å; Y48-C107 HydrophobicContact CE1-CB 4.36Å; L53-C107 HydrophobicContact CD1-CB 3.54Å; S103-C107 PolarHBondContact O-N 2.61Å; S103-C107 PolarHBondContact O-SG 3.41Å; T104-C107 PolarHBondContact O-N 3.48Å; C107-Y110 PolarHBondContact O-N 3Å; C107-K111 PolarHBondContact O-N 3.47Å
108	L	86.1	Confident	78.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.6	-41.6	176.7	-78	159	0	0	0	111.9	L53 V62 E65 I66 V70 T104 A105 Y110 K111 L112	L53-L108 HydrophobicContact CD2-CD2 3.22Å; L53-L108 HydrophobicContact CD2-CG 3.83Å; V62-L108 HydrophobicContact CG1-CD2 4.02Å; E65-L108 HydrophobicContact CB-CD2 4.38Å; I66-L108 HydrophobicContact CG1-CB 4.17Å; I66-L108 HydrophobicContact CG1-CD1 3.89Å; I66-L108 HydrophobicContact CG1-CD2 4.02Å; I66-L108 HydrophobicContact CG1-CG 4.27Å; V70-L108 HydrophobicContact CG2-CD1 3.5Å; V70-L108 VanDerWaalsContact CG2-CD1 3.5Å; T104-L108 WeakPolarHBondContact O-CB 3.41Å; T104-L108 WeakPolarHBondContact O-CD1 3.11Å; T104-L108 WeakPolarHBondContact O-CG 3.43Å; T104-L108 PolarHBondContact O-N 3.3Å; A105-L108 PolarHBondContact O-N 2.98Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 PolarHBondContact O-N 3.28Å; L108-K111 WeakPolarHBondContact O-CA 3.48Å; L108-K111 WeakPolarHBondContact O-CB 3.22Å; L108-K111 PolarHBondContact O-N 3.26Å; L108-K111 VanDerWaalsContact O-N 3.09Å; L108-L112 WeakPolarHBondContact O-CG 3.18Å; L108-L112 PolarHBondContact O-N 3.18Å
109	L	84.1	Confident	79.4	Confident	13 Å²	13	36.5 Å²	36.5	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-56.7	-48.1	174.6	-176.2	70.5	0	0	0	111.2	M33 A105 Y106 K111 L112 Y113 L137 C140	M33-L109 HydrophobicContact CE-CD1 3.69Å; M33-L109 HydrophobicContact CE-CD2 4.04Å; M33-L109 HydrophobicContact CE-CG 3.65Å; M33-L109 HydrophobicContact SD-CD2 4.41Å; M33-L109 HydrophobicContact SD-CG 4.1Å; A105-L109 WeakPolarHBondContact O-CB 3.22Å; A105-L109 PolarHBondContact O-N 3.39Å; Y106-L109 PolarHBondContact O-N 3.44Å; L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 3.18Å; L109-L112 PolarHBondContact O-N 3.31Å; L109-Y113 PolarHBondContact O-N 3.32Å; L109-L137 HydrophobicContact CB-CD2 4.18Å; L109-L137 HydrophobicContact CD1-CD2 3.93Å; L109-C140 HydrophobicContact CD1-CB 4.12Å
110	Y	84.1	Confident	80.2	Confident	23 Å²	23	42.7 Å²	42.7	9%	0.09	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-34.9	176.4	-173.7	-108.8	0	0	0	111.9	L40 I43 Q44 F49 Y106 C107 L108 Y113 T114	L40-Y110 HydrophobicContact CD1-CD2 4.43Å; L40-Y110 HydrophobicContact CD1-CE2 3.81Å; L40-Y110 HydrophobicContact CG-CE2 4.29Å; I43-Y110 HydrophobicContact CG2-CD1 3.77Å; I43-Y110 HydrophobicContact CG2-CG 4.19Å; Q44-Y110 HydrophobicContact CG-CE1 4.22Å; Q44-Y110 PolarHBondContact NE2-OH 3.04Å; F49-Y110 HydrophobicContact CD2-CD1 4.34Å; F49-Y110 HydrophobicContact CE1-CD1 4.33Å; F49-Y110 HydrophobicContact CE1-CE1 4.2Å; F49-Y110 AromaticContact CE2-CD1 3.55Å; F49-Y110 HydrophobicContact CE2-CD1 3.55Å; F49-Y110 HydrophobicContact CE2-CE1 4.21Å; F49-Y110 AromaticContact CZ-CD1 3.54Å; F49-Y110 HydrophobicContact CZ-CD1 3.54Å; F49-Y110 AromaticContact CZ-CE1 3.7Å; F49-Y110 HydrophobicContact CZ-CE1 3.7Å; Y106-Y110 PolarHBondContact O-N 3.06Å; C107-Y110 PolarHBondContact O-N 3Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 PolarHBondContact O-N 3.28Å; Y110-Y113 HydrophobicContact CD2-CD1 4.46Å; Y110-Y113 HydrophobicContact CE2-CD1 4.39Å; Y110-Y113 VanDerWaalsContact O-CB 3.31Å; Y110-Y113 WeakPolarHBondContact O-CB 3.27Å; Y110-Y113 PolarHBondContact O-N 3.21Å; Y110-T114 HydrophobicContact CD1-CG2 4.38Å; Y110-T114 HydrophobicContact CE1-CG2 4.01Å; Y110-T114 WeakPolarHBondContact O-CG2 3.48Å; Y110-T114 PolarHBondContact O-N 3.01Å
111	K	85	Confident	80.8	Confident	12 Å²	12	45.5 Å²	45.5	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-49	173.4	178.5	64.9	-172.9	-150.9	0	111.8	F49 L53 L56 C107 L108 L109 Y113 T114 L115	F49-K111 HydrophobicContact CE2-CB 4.03Å; F49-K111 HydrophobicContact CE2-CD 4.41Å; L53-K111 HydrophobicContact CB-CD 4.37Å; L53-K111 HydrophobicContact CB-CG 4.37Å; L53-K111 HydrophobicContact CD2-CB 4.37Å; L53-K111 HydrophobicContact CD2-CG 4.4Å; L53-K111 VanDerWaalsContact O-CE 3.23Å; L53-K111 WeakPolarHBondContact O-CE 3.11Å; L53-K111 PolarHBondContact O-NZ 3.22Å; L56-K111 WeakPolarHBondContact O-CE 3.19Å; L56-K111 PolarHBondContact O-NZ 3.42Å; C107-K111 PolarHBondContact O-N 3.47Å; L108-K111 WeakPolarHBondContact O-CA 3.48Å; L108-K111 WeakPolarHBondContact O-CB 3.22Å; L108-K111 PolarHBondContact O-N 3.26Å; L108-K111 VanDerWaalsContact O-N 3.09Å; L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 3.18Å; K111-Y113 PolarHBondContact O-N 3.04Å; K111-T114 PolarHBondContact O-N 3.41Å; K111-T114 VanDerWaalsContact O-N 3.14Å; K111-T114 PolarHBondContact O-OG1 3.26Å; K111-L115 HydrophobicContact CG-CD1 4.33Å; K111-L115 WeakPolarHBondContact O-CG 3.4Å; K111-L115 PolarHBondContact O-N 3.49Å; K111-L115 VanDerWaalsContact O-N 3.11Å
112	L	80.8	Confident	81.1	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-37.5	175.3	-66.1	168.5	0	0	0	110.8	V62 I66 L108 L109 L115 L117 L125 W141	V62-L112 HydrophobicContact CB-CD2 4.32Å; V62-L112 HydrophobicContact CG1-CD2 3.52Å; V62-L112 HydrophobicContact CG1-CG 4.08Å; I66-L112 HydrophobicContact CD1-CD1 3.88Å; I66-L112 HydrophobicContact CD1-CD2 4.38Å; I66-L112 HydrophobicContact CD1-CG 4.48Å; L108-L112 WeakPolarHBondContact O-CG 3.18Å; L108-L112 PolarHBondContact O-N 3.18Å; L109-L112 PolarHBondContact O-N 3.31Å; L112-L115 PolarHBondContact O-N 3.17Å; L112-L117 HydrophobicContact CB-CD1 4.02Å; L112-L117 HydrophobicContact CD2-CD1 3.74Å; L112-L117 HydrophobicContact CG-CD1 4.39Å; L112-L125 HydrophobicContact CD1-CD2 4.49Å; L112-W141 HydrophobicContact CB-CZ3 4.32Å
113	Y	78.4	Confident	81.1	Confident	26 Å²	26	44.5 Å²	44.5	10%	0.102	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-50.7	175.1	-176.9	-106.1	0	0	0	112.8	F26 E30 M33 L109 Y110 K111 L115 R116 W141	F26-Y113 AromaticContact CD2-CE2 3.86Å; F26-Y113 HydrophobicContact CD2-CE2 3.86Å; F26-Y113 HydrophobicContact CE2-CD2 4.46Å; F26-Y113 AromaticContact CE2-CE2 3.3Å; F26-Y113 HydrophobicContact CE2-CE2 3.3Å; F26-Y113 AromaticContact CE2-CZ 3.67Å; F26-Y113 VanDerWaalsContact CE2-OH 3.23Å; F26-Y113 WeakPolarHBondContact CE2-OH 3.43Å; F26-Y113 HydrophobicContact CZ-CE2 4.09Å; F26-Y113 AromaticContact CZ-CZ 3.99Å; F26-Y113 WeakPolarHBondContact CZ-OH 3.26Å; E30-Y113 VanDerWaalsContact C-OH 3.25Å; E30-Y113 VanDerWaalsContact CA-OH 3.27Å; E30-Y113 WeakPolarHBondContact CA-OH 3.29Å; E30-Y113 WeakPolarHBondContact O-CE1 3.08Å; E30-Y113 PolarHBondContact O-OH 2.95Å; M33-Y113 HydrophobicContact CB-CD1 4.24Å; M33-Y113 HydrophobicContact CB-CD2 4.2Å; M33-Y113 HydrophobicContact CB-CE1 4.32Å; M33-Y113 HydrophobicContact CB-CE2 4.33Å; M33-Y113 HydrophobicContact CB-CG 4.18Å; M33-Y113 HydrophobicContact CE-CD2 4.34Å; M33-Y113 HydrophobicContact CG-CD2 3.69Å; M33-Y113 HydrophobicContact CG-CE2 4.09Å; M33-Y113 HydrophobicContact CG-CG 3.94Å; M33-Y113 VanDerWaalsContact SD-CB 3.51Å; M33-Y113 HydrophobicContact SD-CD1 4.45Å; M33-Y113 HydrophobicContact SD-CD2 3.8Å; M33-Y113 HydrophobicContact SD-CG 3.64Å; L109-Y113 PolarHBondContact O-N 3.32Å; Y110-Y113 HydrophobicContact CD2-CD1 4.46Å; Y110-Y113 HydrophobicContact CE2-CD1 4.39Å; Y110-Y113 VanDerWaalsContact O-CB 3.31Å; Y110-Y113 WeakPolarHBondContact O-CB 3.27Å; Y110-Y113 PolarHBondContact O-N 3.21Å; K111-Y113 PolarHBondContact O-N 3.04Å; Y113-L115 PolarHBondContact O-N 3.24Å; Y113-R116 PolarHBondContact O-N 2.91Å; Y113-R116 VanDerWaalsContact O-N 3.13Å; Y113-W141 VanDerWaalsContact CA-CZ3 3.48Å; Y113-W141 HydrophobicContact CD2-CH2 4.03Å; Y113-W141 HydrophobicContact CD2-CZ3 4.22Å
114	T	79.3	Confident	81	Confident	70 Å²	70	45.9 Å²	45.9	43%	0.429	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-23.7	178.5	60.6	0	0	0	0	113.7	Y110 K111 R116	Y110-T114 HydrophobicContact CD1-CG2 4.38Å; Y110-T114 HydrophobicContact CE1-CG2 4.01Å; Y110-T114 WeakPolarHBondContact O-CG2 3.48Å; Y110-T114 PolarHBondContact O-N 3.01Å; K111-T114 PolarHBondContact O-N 3.41Å; K111-T114 VanDerWaalsContact O-N 3.14Å; K111-T114 PolarHBondContact O-OG1 3.26Å; T114-R116 VanDerWaalsContact C-N 3.32Å
115	L	78.3	Confident	80.8	Confident	58 Å²	58	44.9 Å²	44.9	30%	0.304	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.5	177.7	-71.6	173.8	0	0	0	113.8	V62 K111 L112 Y113	V62-L115 HydrophobicContact CG2-CD1 4.03Å; K111-L115 HydrophobicContact CG-CD1 4.33Å; K111-L115 WeakPolarHBondContact O-CG 3.4Å; K111-L115 PolarHBondContact O-N 3.49Å; K111-L115 VanDerWaalsContact O-N 3.11Å; L112-L115 PolarHBondContact O-N 3.17Å; Y113-L115 PolarHBondContact O-N 3.24Å
116	R	74.3	Confident	80.6	Confident	147 Å²	147	47.7 Å²	47.7	56%	0.555	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.9	66.5	-179	-62.5	-168.9	74.8	118.5	0.6	112.9	E30 Y113 T114	E30-R116 IonicContact OE1-NH1 3.97Å; E30-R116 PolarHBondContact OE1-NH1 3.45Å; Y113-R116 PolarHBondContact O-N 2.91Å; Y113-R116 VanDerWaalsContact O-N 3.13Å; T114-R116 VanDerWaalsContact C-N 3.32Å
117	L	72.8	Confident	80.4	Confident	12 Å²	12	50 Å²	50	6%	0.063	24%	0.244	C	C	.	.			trans	-59.4	143.4	179.7	-65.6	167.6	0	0	0	112.5	Y59 L112 Q121 I122	Y59-L117 HydrophobicContact CD2-CD2 3.77Å; L112-L117 HydrophobicContact CB-CD1 4.02Å; L112-L117 HydrophobicContact CD2-CD1 3.74Å; L112-L117 HydrophobicContact CG-CD1 4.39Å; L117-Q121 HydrophobicContact CB-CB 4.38Å; L117-Q121 HydrophobicContact CD2-CB 4.13Å; L117-I122 HydrophobicContact CB-CD1 3.83Å; L117-I122 HydrophobicContact CB-CG1 3.93Å; L117-I122 HydrophobicContact CD1-CG1 4.29Å
118	T	79.5	Confident	80	Confident	39 Å²	39	52.1 Å²	52.1	24%	0.239	25%	0.254	C	S	.	.			trans	-79.8	158.4	175.2	63.1	0	0	0	0	111.2	N22 K120 Q121 I122	N22-T118 WeakPolarHBondContact ND2-CG2 3.35Å; T118-K120 PolarHBondContact O-N 3.46Å; T118-K120 VanDerWaalsContact O-N 3.12Å; T118-Q121 PolarHBondContact O-N 3.02Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.28Å; T118-Q121 PolarHBondContact OG1-OE1 3.17Å; T118-I122 PolarHBondContact O-N 3.01Å; T118-I122 VanDerWaalsContact O-N 3.07Å
119	R	73.6	Confident	79.3	Confident	107 Å²	107	57.9 Å²	57.9	40%	0.404	29%	0.289	S	S	.	.	H	α-helix	trans	-51.8	-37.3	176.6	-176.1	-179.9	-67.2	-93.9	3.6	112.9	L24 N123	L24-R119 HydrophobicContact CD2-CB 3.82Å; L24-R119 HydrophobicContact CD2-CG 3.98Å; L24-R119 HydrophobicContact CG-CB 4.11Å; R119-N123 WeakPolarHBondContact O-CB 3.19Å; R119-N123 PolarHBondContact O-N 3.04Å
120	K	79.3	Confident	78.8	Confident	164 Å²	164	61.9 Å²	61.9	71%	0.713	31%	0.311	S	S	*	.	H	α-helix	trans	-66.2	-41.5	178.4	-68.1	-172	177.1	-176.1	0	112.3	T118 N123 G124	T118-K120 PolarHBondContact O-N 3.46Å; T118-K120 VanDerWaalsContact O-N 3.12Å; K120-N123 PolarHBondContact O-N 2.83Å; K120-G124 PolarHBondContact O-N 3.17Å
121	Q	80.4	Confident	78.1	Confident	68 Å²	68	61.4 Å²	61.4	32%	0.318	31%	0.311	S	S	.	.	H	α-helix	trans	-67.9	-41.6	178.9	-71.6	167.4	-49.6	0	0	111.3	Y59 L117 T118 G124 L125	Y59-Q121 HydrophobicContact CD2-CB 4.21Å; Y59-Q121 HydrophobicContact CD2-CG 4.48Å; Y59-Q121 HydrophobicContact CE2-CB 4.16Å; Y59-Q121 PolarHBondContact OH-O 2.92Å; L117-Q121 HydrophobicContact CB-CB 4.38Å; L117-Q121 HydrophobicContact CD2-CB 4.13Å; T118-Q121 PolarHBondContact O-N 3.02Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.28Å; T118-Q121 PolarHBondContact OG1-OE1 3.17Å; Q121-G124 CarbonylContact O-C 3.59Å; Q121-G124 WeakPolarHBondContact O-CA 3.23Å; Q121-G124 PolarHBondContact O-N 2.98Å; Q121-G124 VanDerWaalsContact O-N 3.14Å; Q121-L125 PolarHBondContact O-N 3.26Å
122	I	81.1	Confident	77.9	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-38.5	175.8	-72.8	152.9	0	0	0	111.4	L24 L117 T118 G124 L125 L126 W141	L24-I122 HydrophobicContact CD1-CD1 3.1Å; L24-I122 HydrophobicContact CD1-CG1 4.41Å; L117-I122 HydrophobicContact CB-CD1 3.83Å; L117-I122 HydrophobicContact CB-CG1 3.93Å; L117-I122 HydrophobicContact CD1-CG1 4.29Å; T118-I122 PolarHBondContact O-N 3.01Å; T118-I122 VanDerWaalsContact O-N 3.07Å; I122-G124 VanDerWaalsContact C-N 3.25Å; I122-G124 PolarHBondContact O-N 3.11Å; I122-L125 WeakPolarHBondContact O-CA 3.02Å; I122-L125 WeakPolarHBondContact O-CB 3.4Å; I122-L125 PolarHBondContact O-N 3.48Å; I122-L125 VanDerWaalsContact O-N 3.11Å; I122-L126 HydrophobicContact CG2-CD1 4.08Å; I122-L126 HydrophobicContact CG2-CG 4.37Å; I122-L126 WeakPolarHBondContact O-CB 3.36Å; I122-L126 WeakPolarHBondContact O-CG 3.27Å; I122-L126 PolarHBondContact O-N 2.96Å; I122-W141 VanDerWaalsContact CD1-CD1 3.4Å; I122-W141 HydrophobicContact CD1-CD2 3.8Å; I122-W141 HydrophobicContact CD1-CG 3.66Å; I122-W141 HydrophobicContact CD1-CZ2 4.31Å; I122-W141 VanDerWaalsContact CD1-NE1 3.34Å; I122-W141 HydrophobicContact CG1-CG 4.3Å
123	N	81.3	Confident	78	Confident	92 Å²	92	67.6 Å²	67.6	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-31.5	172.7	-166.1	73.2	0	0	0	112.4	R119 K120 N127	R119-N123 WeakPolarHBondContact O-CB 3.19Å; R119-N123 PolarHBondContact O-N 3.04Å; K120-N123 PolarHBondContact O-N 2.83Å; N123-N127 PolarHBondContact ND2-ND2 2.66Å; N123-N127 PolarHBondContact O-N 3.5Å; N123-N127 PolarHBondContact O-ND2 3.03Å
124	G	81.9	Confident	78.2	Confident	28 Å²	28	66.5 Å²	66.5	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-61.2	-51.9	167.1	0	0	0	0	0	110.9	K120 Q121 I122 L126 N127 H128	K120-G124 PolarHBondContact O-N 3.17Å; Q121-G124 CarbonylContact O-C 3.59Å; Q121-G124 WeakPolarHBondContact O-CA 3.23Å; Q121-G124 PolarHBondContact O-N 2.98Å; Q121-G124 VanDerWaalsContact O-N 3.14Å; I122-G124 VanDerWaalsContact C-N 3.25Å; I122-G124 PolarHBondContact O-N 3.11Å; G124-L126 VanDerWaalsContact C-N 3.3Å; G124-L126 PolarHBondContact O-N 3.22Å; G124-N127 CarbonylContact O-C 3.6Å; G124-N127 PolarHBondContact O-N 3.4Å; G124-N127 VanDerWaalsContact O-N 3.14Å; G124-H128 PolarHBondContact O-CD2 3.11Å; G124-H128 PolarHBondContact O-N 3.5Å
125	L	81.4	Confident	78.3	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-55.9	-41.4	178.7	-154.3	72.9	0	0	0	113	Y59 V63 L112 Q121 I122 I134	Y59-L125 HydrophobicContact CE2-CD1 3.96Å; Y59-L125 PolarHBondContact OH-N 3.39Å; V63-L125 HydrophobicContact CG2-CD1 3.63Å; L112-L125 HydrophobicContact CD1-CD2 4.49Å; Q121-L125 PolarHBondContact O-N 3.26Å; I122-L125 WeakPolarHBondContact O-CA 3.02Å; I122-L125 WeakPolarHBondContact O-CB 3.4Å; I122-L125 PolarHBondContact O-N 3.48Å; I122-L125 VanDerWaalsContact O-N 3.11Å; L125-I134 HydrophobicContact CD1-CG2 3.34Å; L125-I134 HydrophobicContact CG-CG2 3.71Å
126	L	80.2	Confident	78.5	Confident	60 Å²	60	65.8 Å²	65.8	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-68.9	-32.8	179.4	-74.4	170.5	0	0	0	113.3	I122 G124 R135 R139	I122-L126 HydrophobicContact CG2-CD1 4.08Å; I122-L126 HydrophobicContact CG2-CG 4.37Å; I122-L126 WeakPolarHBondContact O-CB 3.36Å; I122-L126 WeakPolarHBondContact O-CG 3.27Å; I122-L126 PolarHBondContact O-N 2.96Å; G124-L126 VanDerWaalsContact C-N 3.3Å; G124-L126 PolarHBondContact O-N 3.22Å; L126-R135 WeakPolarHBondContact O-CG 3.49Å; L126-R139 HydrophobicContact CD2-CG 3.78Å
127	N	79.9	Confident	78.8	Confident	110 Å²	110	59 Å²	59	59%	0.588	31%	0.306	S	S	*	.	H	α-helix	trans	-97.6	1.7	-178.4	-67.1	-53.1	0	0	0	113.4	N123 G124 T129	N123-N127 PolarHBondContact ND2-ND2 2.66Å; N123-N127 PolarHBondContact O-N 3.5Å; N123-N127 PolarHBondContact O-ND2 3.03Å; G124-N127 CarbonylContact O-C 3.6Å; G124-N127 PolarHBondContact O-N 3.4Å; G124-N127 VanDerWaalsContact O-N 3.14Å; N127-T129 PolarHBondContact O-N 3.08Å; N127-T129 VanDerWaalsContact O-N 3.16Å
128	H	77.8	Confident	79.2	Confident	47 Å²	47	58.5 Å²	58.5	22%	0.218	30%	0.304	C	S	.	.			trans	-63	117.9	175.6	-96.9	-77.7	0	0	0	110.5	Y59 G124 D130 I134 R135	Y59-H128 PolarHBondContact OH-CD2 2.7Å; Y59-H128 PolarHBondContact OH-NE2 2.86Å; G124-H128 PolarHBondContact O-CD2 3.11Å; G124-H128 PolarHBondContact O-N 3.5Å; H128-D130 VanDerWaalsContact C-N 3.29Å; H128-D130 IonicContact CE1-OD2 3.9Å; H128-D130 IonicContact ND1-OD2 3.98Å; H128-D130 PolarHBondContact ND1-OD2 3.42Å; H128-D130 VanDerWaalsContact ND1-OD2 3.17Å; H128-I134 HydrophobicContact CB-CG2 3.86Å; H128-R135 WeakPolarHBondContact O-CD 3.43Å; H128-R135 VanDerWaalsContact O-CG 3.23Å; H128-R135 WeakPolarHBondContact O-CG 3.4Å; H128-R135 PolarHBondContact O-NE 3.16Å
129	T	72.8	Confident	79.1	Confident	121 Å²	121	64.4 Å²	64.4	74%	0.742	32%	0.322	S	S	*	.	S	Bend	trans	-76.1	-19.1	177.5	40.8	0	0	0	0	112.9	N127 S131	N127-T129 PolarHBondContact O-N 3.08Å; N127-T129 VanDerWaalsContact O-N 3.16Å; T129-S131 PolarHBondContact O-N 3.28Å
130	D	72	Confident	79	Confident	98 Å²	98	62.8 Å²	62.8	52%	0.524	33%	0.326	S	S	.	.	S	Bend	trans	-69.9	-35.2	-166.7	-52.3	-47.6	0	0	0	112.6	Y67 H128	Y67-D130 HydrophobicContact CD2-CB 4.26Å; Y67-D130 HydrophobicContact CE2-CB 4.16Å; Y67-D130 VanDerWaalsContact CE2-O 3.29Å; Y67-D130 WeakPolarHBondContact CE2-O 3.1Å; H128-D130 VanDerWaalsContact C-N 3.29Å; H128-D130 IonicContact CE1-OD2 3.9Å; H128-D130 IonicContact ND1-OD2 3.98Å; H128-D130 PolarHBondContact ND1-OD2 3.42Å; H128-D130 VanDerWaalsContact ND1-OD2 3.17Å
131	S	70.9	Confident	78.4	Confident	12 Å²	12	60.2 Å²	60.2	8%	0.084	31%	0.312	C	S	.	.			trans	-145.4	143.3	178.6	125.6	0	0	0	0	114.1	T129 Y133 I134 R135	T129-S131 PolarHBondContact O-N 3.28Å; S131-Y133 VanDerWaalsContact C-N 3.29Å; S131-Y133 PolarHBondContact OG-N 2.84Å; S131-Y133 VanDerWaalsContact OG-N 3.14Å; S131-I134 VanDerWaalsContact OG-CG1 3.31Å; S131-I134 WeakPolarHBondContact OG-CG1 3.19Å; S131-I134 PolarHBondContact OG-N 3.18Å; S131-R135 PolarHBondContact O-NE 2.9Å
132	A	80.8	Confident	78.3	Confident	56 Å²	56	59.8 Å²	59.8	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-30.3	173.6	0	0	0	0	0	112.3	A136	A132-A136 WeakPolarHBondContact O-CB 3.28Å; A132-A136 PolarHBondContact O-N 3.36Å
133	Y	82.4	Confident	78.2	Confident	90 Å²	90	62.4 Å²	62.4	35%	0.353	33%	0.325	S	S	.	.	H	α-helix	trans	-72.5	-38.8	-179.1	-59.7	-70.1	0	0	0	112.3	V70 K71 M73 S131 R135 A136 L137	V70-Y133 HydrophobicContact CB-CG 4.47Å; V70-Y133 HydrophobicContact CG1-CD1 3.85Å; V70-Y133 HydrophobicContact CG1-CD2 4.46Å; V70-Y133 HydrophobicContact CG1-CG 3.79Å; V70-Y133 WeakPolarHBondContact O-CD2 3.44Å; K71-Y133 PolarHBondContact O-OH 3.14Å; M73-Y133 HydrophobicContact CG-CD1 3.72Å; M73-Y133 HydrophobicContact CG-CE1 4.19Å; M73-Y133 HydrophobicContact SD-CD1 4.34Å; S131-Y133 VanDerWaalsContact C-N 3.29Å; S131-Y133 PolarHBondContact OG-N 2.84Å; S131-Y133 VanDerWaalsContact OG-N 3.14Å; Y133-R135 VanDerWaalsContact C-N 3.33Å; Y133-R135 PolarHBondContact O-N 3.02Å; Y133-A136 PolarHBondContact O-N 2.96Å; Y133-L137 WeakPolarHBondContact O-CG 3.39Å; Y133-L137 PolarHBondContact O-N 2.77Å
134	I	82.2	Confident	78	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-49.1	173.9	-67	166.2	0	0	0	109.8	V63 I66 Y67 L125 H128 S131 A136 L137 G138	V63-I134 HydrophobicContact CG1-CD1 3.79Å; V63-I134 HydrophobicContact CG1-CG1 4.41Å; V63-I134 HydrophobicContact CG1-CG2 4.46Å; I66-I134 HydrophobicContact CB-CG1 4.19Å; I66-I134 HydrophobicContact CG2-CB 4.44Å; I66-I134 HydrophobicContact CG2-CG1 3.55Å; Y67-I134 HydrophobicContact CD2-CD1 4.35Å; L125-I134 HydrophobicContact CD1-CG2 3.34Å; L125-I134 HydrophobicContact CG-CG2 3.71Å; H128-I134 HydrophobicContact CB-CG2 3.86Å; S131-I134 VanDerWaalsContact OG-CG1 3.31Å; S131-I134 WeakPolarHBondContact OG-CG1 3.19Å; S131-I134 PolarHBondContact OG-N 3.18Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.28Å; I134-L137 PolarHBondContact O-N 3.47Å; I134-G138 PolarHBondContact O-N 3.44Å
135	R	82.6	Confident	77.8	Confident	93 Å²	93	62.6 Å²	62.6	35%	0.351	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-38	176.7	-66.5	-177.1	-76.5	160.7	-4.1	112.5	L126 H128 S131 Y133 G138 R139	L126-R135 WeakPolarHBondContact O-CG 3.49Å; H128-R135 WeakPolarHBondContact O-CD 3.43Å; H128-R135 VanDerWaalsContact O-CG 3.23Å; H128-R135 WeakPolarHBondContact O-CG 3.4Å; H128-R135 PolarHBondContact O-NE 3.16Å; S131-R135 PolarHBondContact O-NE 2.9Å; Y133-R135 VanDerWaalsContact C-N 3.33Å; Y133-R135 PolarHBondContact O-N 3.02Å; R135-G138 PolarHBondContact O-N 2.89Å; R135-R139 WeakPolarHBondContact O-CG 3.31Å; R135-R139 PolarHBondContact O-N 3.1Å
136	A	81.5	Confident	77.6	Confident	20 Å²	20	66.3 Å²	66.3	17%	0.165	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-44.3	177.9	0	0	0	0	0	111.6	M73 A132 Y133 I134 G138 R139 C140	M73-A136 HydrophobicContact CE-CB 3.74Å; M73-A136 HydrophobicContact SD-CB 4.37Å; A132-A136 WeakPolarHBondContact O-CB 3.28Å; A132-A136 PolarHBondContact O-N 3.36Å; Y133-A136 PolarHBondContact O-N 2.96Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.28Å; A136-G138 VanDerWaalsContact C-N 3.33Å; A136-G138 PolarHBondContact O-N 3.21Å; A136-R139 WeakPolarHBondContact O-CB 3.38Å; A136-R139 PolarHBondContact O-N 3.45Å; A136-R139 VanDerWaalsContact O-N 3.14Å; A136-C140 PolarHBondContact O-N 2.77Å; A136-C140 PolarHBondContact O-SG 3.38Å; A136-C140 VanDerWaalsContact O-SG 3.33Å
137	L	81	Confident	77.4	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-38.9	174.1	-69	172.4	0	0	0	111.7	I66 M73 L109 Y133 I134 R139 C140	I66-L137 HydrophobicContact CB-CD1 4.45Å; I66-L137 HydrophobicContact CD1-CD1 3.81Å; I66-L137 HydrophobicContact CG1-CD1 3.92Å; I66-L137 HydrophobicContact CG2-CD1 3.62Å; M73-L137 HydrophobicContact CE-CD2 3.91Å; M73-L137 HydrophobicContact CE-CG 4.26Å; M73-L137 HydrophobicContact SD-CD2 3.93Å; M73-L137 HydrophobicContact SD-CG 4.09Å; L109-L137 HydrophobicContact CB-CD2 4.18Å; L109-L137 HydrophobicContact CD1-CD2 3.93Å; Y133-L137 WeakPolarHBondContact O-CG 3.39Å; Y133-L137 PolarHBondContact O-N 2.77Å; I134-L137 PolarHBondContact O-N 3.47Å; L137-R139 VanDerWaalsContact C-N 3.25Å; L137-R139 PolarHBondContact O-N 2.87Å; L137-C140 WeakPolarHBondContact O-CB 3.45Å; L137-C140 PolarHBondContact O-N 2.77Å
138	G	79.9	Confident	77.2	Confident	2 Å²	2	63.6 Å²	63.6	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-32.6	172.8	0	0	0	0	0	113.5	I134 R135 A136 C140	I134-G138 PolarHBondContact O-N 3.44Å; R135-G138 PolarHBondContact O-N 2.89Å; A136-G138 VanDerWaalsContact C-N 3.33Å; A136-G138 PolarHBondContact O-N 3.21Å; G138-C140 VanDerWaalsContact C-N 3.31Å
139	R	77.4	Confident	77.2	Confident	162 Å²	162	64.9 Å²	64.9	61%	0.611	33%	0.328	S	S	*	.	H	α-helix	trans	-77.2	-13.6	173.4	-73	-172.5	-68.4	-95.3	1	113.9	L126 R135 A136 L137 W141	L126-R139 HydrophobicContact CD2-CG 3.78Å; R135-R139 WeakPolarHBondContact O-CG 3.31Å; R135-R139 PolarHBondContact O-N 3.1Å; A136-R139 WeakPolarHBondContact O-CB 3.38Å; A136-R139 PolarHBondContact O-N 3.45Å; A136-R139 VanDerWaalsContact O-N 3.14Å; L137-R139 VanDerWaalsContact C-N 3.25Å; L137-R139 PolarHBondContact O-N 2.87Å; R139-W141 VanDerWaalsContact C-N 3.29Å
140	C	73.1	Confident	77.5	Confident	73 Å²	73	60.3 Å²	60.3	49%	0.493	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.1	174.9	-66.5	0	0	0	0	113.1	L109 A136 L137 G138	L109-C140 HydrophobicContact CD1-CB 4.12Å; A136-C140 PolarHBondContact O-N 2.77Å; A136-C140 PolarHBondContact O-SG 3.38Å; A136-C140 VanDerWaalsContact O-SG 3.33Å; L137-C140 WeakPolarHBondContact O-CB 3.45Å; L137-C140 PolarHBondContact O-N 2.77Å; G138-C140 VanDerWaalsContact C-N 3.31Å
141	W	66.8	Low	78.1	Confident	110 Å²	110	56.8 Å²	56.8	42%	0.417	27%	0.272	S	S	.	.			trans	-97.1	0	179.4	-163.6	-70.5	0	0	0	111.8	M33 L112 Y113 I122 R139	M33-W141 HydrophobicContact CE-CE3 4.32Å; L112-W141 HydrophobicContact CB-CZ3 4.32Å; Y113-W141 VanDerWaalsContact CA-CZ3 3.48Å; Y113-W141 HydrophobicContact CD2-CH2 4.03Å; Y113-W141 HydrophobicContact CD2-CZ3 4.22Å; I122-W141 VanDerWaalsContact CD1-CD1 3.4Å; I122-W141 HydrophobicContact CD1-CD2 3.8Å; I122-W141 HydrophobicContact CD1-CG 3.66Å; I122-W141 HydrophobicContact CD1-CZ2 4.31Å; I122-W141 VanDerWaalsContact CD1-NE1 3.34Å; I122-W141 HydrophobicContact CG1-CG 4.3Å; R139-W141 VanDerWaalsContact C-N 3.29Å

Retrieved 141 of 141 residues in 96.9 ms (Link to these results)

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