A0A3Q0KBE4_SCHMA Loading...

Putative DNAj domain

AlphaFold DB , UniProt , Accession A0A3Q0KBE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 199 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	65	Low	61.9	Low	237 Å²	237	133.3 Å²	133.3	100%	1.167	85%	0.846	S	S	*	*				0	114.9	0	-85.7	148.7	77.9	0	0	107.9
2	P	79.2	Confident	60.4	Low	118 Å²	118	139.3 Å²	139.3	77%	0.766	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-71	149.4	171.1	30.9	-32	0	0	0	110.1
3	P	79.3	Confident	59.8	Low	124 Å²	124	137.6 Å²	137.6	81%	0.805	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-68.7	140.1	176.8	28.7	-34	0	0	0	111.6
4	D	74.9	Confident	58.7	Low	151 Å²	151	142.1 Å²	142.1	81%	0.807	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-63.8	131.5	174.9	-64.5	-48.3	0	0	0	111.5	S6	D4-S6 PolarHBondContact O-N 3.12Å
5	P	74.3	Confident	57.7	Low	136 Å²	136	142.9 Å²	142.9	88%	0.883	85%	0.848	S	S	*	*			trans	-78.5	90.9	171.5	30.7	-30.7	0	0	0	109.8
6	S	63	Low	57.2	Low	96 Å²	96	142.1 Å²	142.1	67%	0.671	85%	0.845	S	S	*	*			trans	-81.5	136.7	164.8	80.6	0	0	0	0	111.1	D4	D4-S6 PolarHBondContact O-N 3.12Å
7	K	60.3	Low	56.8	Low	201 Å²	201	145.1 Å²	145.1	87%	0.874	85%	0.848	S	S	*	*			trans	79.8	113.5	157.3	-67.2	174.8	176.8	174.7	0	119.1
8	G	44.8	Very low	55.8	Low	86 Å²	86	148.6 Å²	148.6	89%	0.887	85%	0.851	S	S	*	*			trans	-154.5	56.4	159.4	0	0	0	0	0	111.2
9	S	48.8	Very low	55.2	Low	118 Å²	118	144 Å²	144	83%	0.825	83%	0.829	S	S	*	*			trans	-82.8	120.8	170.1	54.2	0	0	0	0	109.8
10	G	42.5	Very low	54.7	Low	69 Å²	69	142.2 Å²	142.2	71%	0.711	83%	0.825	S	S	*	*			trans	158.5	96.9	166.5	0	0	0	0	0	114.7
11	S	49.4	Very low	54.5	Low	130 Å²	130	145.5 Å²	145.5	91%	0.909	83%	0.83	S	S	*	*			trans	-153.9	106.6	144.2	-84.7	0	0	0	0	109.8
12	K	43.6	Very low	53.9	Low	205 Å²	205	142.1 Å²	142.1	89%	0.891	81%	0.811	S	S	*	*			trans	-89.6	103	-173	177.6	178.7	-176.9	176	0	107.9
13	S	52.2	Low	52.9	Low	118 Å²	118	139.6 Å²	139.6	83%	0.825	79%	0.791	S	S	*	*			trans	-101.4	91.3	170.9	-159.7	0	0	0	0	109.7
14	K	44.1	Very low	52.3	Low	200 Å²	200	137.8 Å²	137.8	87%	0.87	77%	0.774	S	S	*	*			trans	-142.5	85.6	165.1	-70.4	-170.5	-174.6	177.9	0	107.7
15	N	44.5	Very low	52.9	Low	154 Å²	154	133 Å²	133	82%	0.824	75%	0.748	S	S	*	*			trans	-123.4	92.3	172.3	-177.2	19.6	0	0	0	108.9
16	T	50.1	Low	53.7	Low	130 Å²	130	126.5 Å²	126.5	80%	0.798	71%	0.706	S	S	*	*			trans	-167.8	77.1	155.1	-57.5	0	0	0	0	108.3
17	Q	50.2	Low	55.1	Low	194 Å²	194	122.3 Å²	122.3	91%	0.907	68%	0.676	S	S	*	*			trans	-144.9	74.4	164.9	-74.2	-165.3	4.9	0	0	109.2
18	K	38	Very low	56.7	Low	208 Å²	208	116 Å²	116	90%	0.904	66%	0.661	S	S	*	*			trans	-166.2	88.2	165.4	-150	166.9	-179.4	179	0	112.7
19	S	44.2	Very low	59	Low	61 Å²	61	113.5 Å²	113.5	43%	0.427	63%	0.627	S	S	.	*			trans	-156.6	86.1	150.3	73	0	0	0	0	110.6	K21	S19-K21 PolarHBondContact O-N 3.32Å
20	S	46.5	Very low	61.1	Low	107 Å²	107	107.9 Å²	107.9	75%	0.748	59%	0.588	S	S	*	*			trans	14.8	96.1	138.2	44.6	0	0	0	0	117	E22	S20-E22 PolarHBondContact O-N 3.1Å
21	K	49.1	Very low	63.5	Low	212 Å²	212	109.7 Å²	109.7	92%	0.922	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	42.8	-5.2	138.6	-130	166	-179.4	171.2	0	122.9	S19	S19-K21 PolarHBondContact O-N 3.32Å
22	E	52.4	Low	65.6	Low	167 Å²	167	104.8 Å²	104.8	78%	0.78	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-17.4	172.2	-64.4	-168.3	165.2	0	0	112.5	S20 I24	S20-E22 PolarHBondContact O-N 3.1Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.11Å
23	N	58.1	Low	68	Low	65 Å²	65	99.9 Å²	99.9	35%	0.348	53%	0.525	S	S	.	.			trans	-91.1	71.5	168.8	-158.3	-86	0	0	0	109.2	N25	N23-N25 PolarHBondContact O-N 3.13Å; N23-N25 PolarHBondContact O-ND2 3.4Å; N23-N25 VanDerWaalsContact O-ND2 3.16Å; N23-N25 PolarHBondContact OD1-ND2 3.3Å
24	I	67.9	Low	69.8	Low	85 Å²	85	100.2 Å²	100.2	44%	0.436	51%	0.512	S	S	.	.			trans	-60.9	104.4	169.7	-59.7	175	0	0	0	106.3	E22 L26 I29 Y86	E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.11Å; I24-L26 HydrophobicContact CG2-CD2 4.44Å; I24-L26 PolarHBondContact O-N 3.24Å; I24-I29 HydrophobicContact CG2-CD1 3.25Å; I24-I29 HydrophobicContact CG2-CG1 4.25Å; I24-Y86 PolarHBondContact O-OH 3.31Å
25	N	86.4	Confident	72	Confident	50 Å²	50	97.3 Å²	97.3	27%	0.267	51%	0.506	S	S	.	.			trans	-72.1	99.6	179.2	-83.8	-85.7	0	0	0	108	N23 Y27 A28 I29 Y86	N23-N25 PolarHBondContact O-N 3.13Å; N23-N25 PolarHBondContact O-ND2 3.4Å; N23-N25 VanDerWaalsContact O-ND2 3.16Å; N23-N25 PolarHBondContact OD1-ND2 3.3Å; N25-Y27 PolarHBondContact O-N 3.33Å; N25-A28 HydrophobicContact CB-CB 3.72Å; N25-A28 WeakPolarHBondContact O-CA 3.35Å; N25-A28 WeakPolarHBondContact O-CB 3.31Å; N25-A28 PolarHBondContact O-N 2.98Å; N25-I29 PolarHBondContact O-N 3.17Å; N25-I29 VanDerWaalsContact O-N 3.14Å; N25-Y86 VanDerWaalsContact CA-OH 3.31Å; N25-Y86 WeakPolarHBondContact CA-OH 3.31Å
26	L	91.6	Very high	74.2	Confident	1 Å²	1	90.1 Å²	90.1	1%	0.005	47%	0.468	C	S	.	.	H	α-helix	trans	-58.7	-37.4	-177.3	-58.1	179.5	0	0	0	111.5	I24 A28 I29 L30 A73 I76 L77 Y86 I94	I24-L26 HydrophobicContact CG2-CD2 4.44Å; I24-L26 PolarHBondContact O-N 3.24Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 3.05Å; L26-I29 PolarHBondContact O-N 3.44Å; L26-L30 PolarHBondContact O-N 3.4Å; L26-A73 HydrophobicContact CB-CB 4.13Å; L26-A73 HydrophobicContact CD2-CB 4.09Å; L26-I76 HydrophobicContact CD1-CB 3.76Å; L26-I76 HydrophobicContact CD1-CD1 3.72Å; L26-I76 HydrophobicContact CD1-CG1 4.36Å; L26-I76 HydrophobicContact CD1-CG2 3.47Å; L26-I76 VanDerWaalsContact CD1-CG2 3.47Å; L26-I76 HydrophobicContact CD2-CD1 4.11Å; L26-L77 HydrophobicContact CB-CD1 3.96Å; L26-L77 HydrophobicContact CB-CD2 4.37Å; L26-L77 HydrophobicContact CB-CG 4.1Å; L26-L77 HydrophobicContact CD1-CD2 4.29Å; L26-L77 HydrophobicContact CD1-CG 4.36Å; L26-Y86 HydrophobicContact CB-CE1 4.18Å; L26-Y86 HydrophobicContact CD1-CD1 3.96Å; L26-Y86 HydrophobicContact CD1-CD2 3.87Å; L26-Y86 HydrophobicContact CD1-CE1 3.97Å; L26-Y86 HydrophobicContact CD1-CE2 3.89Å; L26-Y86 HydrophobicContact CD1-CG 3.88Å; L26-Y86 HydrophobicContact CG-CD2 4.41Å; L26-Y86 HydrophobicContact CG-CE1 4.03Å; L26-Y86 HydrophobicContact CG-CE2 3.91Å; L26-Y86 PolarHBondContact N-OH 3.21Å; L26-Y86 VanDerWaalsContact N-OH 3.12Å; L26-I94 HydrophobicContact CD1-CD1 3.92Å; L26-I94 HydrophobicContact CD1-CG1 4.47Å; L26-I94 HydrophobicContact CD2-CD1 4.21Å; L26-I94 HydrophobicContact CG-CD1 4.28Å
27	Y	93.5	Very high	76.3	Confident	8 Å²	8	87.3 Å²	87.3	3%	0.031	45%	0.451	C	S	.	.	H	α-helix	trans	-60.8	-37.9	174	-59.9	-75.9	0	0	0	112.2	N25 L30 E31 V32 D33 K34 L77 R83 Y86 D87	N25-Y27 PolarHBondContact O-N 3.33Å; Y27-L30 PolarHBondContact O-N 3.05Å; Y27-E31 PolarHBondContact O-N 3.31Å; Y27-E31 VanDerWaalsContact O-N 3.13Å; Y27-V32 CarbonylContact C-O 3.49Å; Y27-V32 HydrophobicContact CD1-CG2 4.18Å; Y27-V32 PolarHBondContact O-N 3.06Å; Y27-V32 VanDerWaalsContact O-O 3.11Å; Y27-D33 WeakPolarHBondContact CD1-O 3.49Å; Y27-K34 HydrophobicContact CD2-CB 4.47Å; Y27-K34 HydrophobicContact CD2-CG 3.98Å; Y27-K34 HydrophobicContact CE2-CG 4.4Å; Y27-K34 HydrophobicContact CG-CG 4.21Å; Y27-L77 HydrophobicContact CD1-CD1 3.74Å; Y27-L77 HydrophobicContact CD1-CD2 4.45Å; Y27-L77 HydrophobicContact CE1-CD1 3.84Å; Y27-L77 HydrophobicContact CE1-CD2 3.81Å; Y27-L77 HydrophobicContact CE1-CG 4.5Å; Y27-L77 HydrophobicContact CE2-CD2 4.24Å; Y27-L77 HydrophobicContact CG-CD1 4.27Å; Y27-R83 WeakPolarHBondContact OH-CG 3.3Å; Y27-R83 PolarHBondContact OH-NE 2.94Å; Y27-Y86 AromaticContact CD2-CE1 3.98Å; Y27-Y86 HydrophobicContact CD2-CE1 3.98Å; Y27-Y86 HydrophobicContact CE2-CD1 4.02Å; Y27-Y86 AromaticContact CE2-CE1 3.66Å; Y27-Y86 HydrophobicContact CE2-CE1 3.66Å; Y27-D87 WeakPolarHBondContact CE2-OD1 3.46Å; Y27-D87 PolarHBondContact OH-OD1 3.46Å; Y27-D87 PolarHBondContact OH-OD2 3.33Å
28	A	92.4	Very high	78.3	Confident	68 Å²	68	80.1 Å²	80.1	56%	0.562	42%	0.424	S	S	*	.	H	α-helix	trans	-70.9	-36.9	178.1	0	0	0	0	0	112.2	N25 L26 L30 E31	N25-A28 HydrophobicContact CB-CB 3.72Å; N25-A28 WeakPolarHBondContact O-CA 3.35Å; N25-A28 WeakPolarHBondContact O-CB 3.31Å; N25-A28 PolarHBondContact O-N 2.98Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 3.05Å; A28-L30 VanDerWaalsContact C-N 3.31Å; A28-L30 PolarHBondContact O-N 2.81Å; A28-E31 PolarHBondContact O-N 3.2Å; A28-E31 VanDerWaalsContact O-N 3.13Å
29	I	92.8	Very high	81	Confident	34 Å²	34	77.2 Å²	77.2	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-60.9	-43.2	174.6	-67.5	171.7	0	0	0	110.8	I24 N25 L26 E31 L48 E69 V70 A73	I24-I29 HydrophobicContact CG2-CD1 3.25Å; I24-I29 HydrophobicContact CG2-CG1 4.25Å; N25-I29 PolarHBondContact O-N 3.17Å; N25-I29 VanDerWaalsContact O-N 3.14Å; L26-I29 PolarHBondContact O-N 3.44Å; I29-E31 PolarHBondContact O-N 3.45Å; I29-L48 WeakPolarHBondContact O-CD1 3.25Å; I29-E69 HydrophobicContact CD1-CB 4.26Å; I29-E69 HydrophobicContact CG2-CB 4.19Å; I29-V70 HydrophobicContact CG2-CB 4.44Å; I29-V70 HydrophobicContact CG2-CG2 3.86Å; I29-A73 HydrophobicContact CB-CB 4.12Å; I29-A73 HydrophobicContact CD1-CB 4.4Å; I29-A73 HydrophobicContact CG2-CB 3.99Å
30	L	93.4	Very high	83.5	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.2	178.8	-80.3	154.7	0	0	0	113.4	L26 Y27 A28 V32 I41 S44 L48 V70 A73 L77	L26-L30 PolarHBondContact O-N 3.4Å; Y27-L30 PolarHBondContact O-N 3.05Å; A28-L30 VanDerWaalsContact C-N 3.31Å; A28-L30 PolarHBondContact O-N 2.81Å; L30-V32 HydrophobicContact CB-CG2 3.76Å; L30-V32 PolarHBondContact O-N 3.45Å; L30-I41 HydrophobicContact CD1-CG2 4.21Å; L30-S44 WeakPolarHBondContact O-CB 3.38Å; L30-S44 PolarHBondContact O-OG 3Å; L30-L48 HydrophobicContact CD2-CD1 4.4Å; L30-V70 HydrophobicContact CD2-CG1 4.42Å; L30-A73 HydrophobicContact CD1-CB 3.69Å; L30-A73 HydrophobicContact CG-CB 4.06Å; L30-L77 HydrophobicContact CD1-CD1 3.68Å
31	E	93.3	Very high	85.8	Confident	107 Å²	107	74.1 Å²	74.1	50%	0.5	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	40.4	-176.3	-58	174.1	-179.6	0	0	112.2	Y27 A28 I29 R47	Y27-E31 PolarHBondContact O-N 3.31Å; Y27-E31 VanDerWaalsContact O-N 3.13Å; A28-E31 PolarHBondContact O-N 3.2Å; A28-E31 VanDerWaalsContact O-N 3.13Å; I29-E31 PolarHBondContact O-N 3.45Å; E31-R47 IonicContact OE2-CZ 3.21Å; E31-R47 IonicContact OE2-NH1 2.79Å; E31-R47 PolarHBondContact OE2-NH1 2.98Å; E31-R47 IonicContact OE2-NH2 2.7Å; E31-R47 PolarHBondContact OE2-NH2 2.91Å
32	V	94.4	Very high	88	Confident	27 Å²	27	69.2 Å²	69.2	16%	0.164	36%	0.357	C	S	.	.			trans	-121.7	157.5	179.9	-68.4	0	0	0	0	111.3	Y27 L30 A36 I41 S44	Y27-V32 CarbonylContact C-O 3.49Å; Y27-V32 HydrophobicContact CD1-CG2 4.18Å; Y27-V32 PolarHBondContact O-N 3.06Å; Y27-V32 VanDerWaalsContact O-O 3.11Å; L30-V32 HydrophobicContact CB-CG2 3.76Å; L30-V32 PolarHBondContact O-N 3.45Å; V32-A36 HydrophobicContact CB-CB 3.84Å; V32-A36 HydrophobicContact CG1-CB 4.45Å; V32-A36 HydrophobicContact CG2-CB 4.29Å; V32-I41 HydrophobicContact CG2-CG1 4.37Å; V32-S44 VanDerWaalsContact CG1-OG 3.31Å; V32-S44 WeakPolarHBondContact CG1-OG 3.21Å
33	D	92.6	Very high	90	Very high	101 Å²	101	68.3 Å²	68.3	54%	0.54	35%	0.35	S	S	.	.			trans	-72.2	158	172.6	-165.1	-93.1	0	0	0	111.3	Y27 N35 A36	Y27-D33 WeakPolarHBondContact CD1-O 3.49Å; D33-N35 PolarHBondContact O-N 2.78Å; D33-N35 WeakPolarHBondContact OD1-CB 3.12Å; D33-N35 PolarHBondContact OD1-N 2.91Å; D33-N35 PolarHBondContact OD1-ND2 3.2Å; D33-A36 WeakPolarHBondContact O-CB 3.5Å; D33-A36 PolarHBondContact O-N 3.16Å
34	K	89.5	Confident	91.9	Very high	125 Å²	125	65.6 Å²	65.6	54%	0.543	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.8	174.8	-62.8	-177.1	178.7	-171.7	0	112.1	Y27 A36 R83	Y27-K34 HydrophobicContact CD2-CB 4.47Å; Y27-K34 HydrophobicContact CD2-CG 3.98Å; Y27-K34 HydrophobicContact CE2-CG 4.4Å; Y27-K34 HydrophobicContact CG-CG 4.21Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-R83 PolarHBondContact O-NH2 3.27Å
35	N	90.4	Very high	93.2	Very high	140 Å²	140	64 Å²	64	75%	0.749	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	6	177.9	-56.2	-64.8	0	0	0	113.5	D33	D33-N35 PolarHBondContact O-N 2.78Å; D33-N35 WeakPolarHBondContact OD1-CB 3.12Å; D33-N35 PolarHBondContact OD1-N 2.91Å; D33-N35 PolarHBondContact OD1-ND2 3.2Å
36	A	92	Very high	93.7	Very high	3 Å²	3	68.2 Å²	68.2	3%	0.025	34%	0.337	C	S	.	.			trans	-60.6	141.8	-175.8	0	0	0	0	0	112.5	V32 D33 K34 E40 I41 R83	V32-A36 HydrophobicContact CB-CB 3.84Å; V32-A36 HydrophobicContact CG1-CB 4.45Å; V32-A36 HydrophobicContact CG2-CB 4.29Å; D33-A36 WeakPolarHBondContact O-CB 3.5Å; D33-A36 PolarHBondContact O-N 3.16Å; K34-A36 VanDerWaalsContact C-N 3.3Å; A36-E40 WeakPolarHBondContact CA-OE2 3.38Å; A36-E40 HydrophobicContact CB-CB 4.21Å; A36-E40 WeakPolarHBondContact CB-OE2 3.4Å; A36-I41 HydrophobicContact CB-CG1 4.16Å; A36-R83 PolarHBondContact O-NH1 3.31Å; A36-R83 PolarHBondContact O-NH2 3.43Å
37	T	93.8	Very high	93.9	Very high	70 Å²	70	73.6 Å²	73.6	43%	0.429	36%	0.357	S	S	.	.			trans	-73	161.1	176.7	65.9	0	0	0	0	111	E39 E40 I41	T37-E39 PolarHBondContact O-N 3.2Å; T37-E40 PolarHBondContact N-OE2 3.13Å; T37-E40 PolarHBondContact O-N 2.87Å; T37-E40 WeakPolarHBondContact OG1-CG 3.43Å; T37-E40 PolarHBondContact OG1-N 2.99Å; T37-I41 WeakPolarHBondContact O-CG1 3.37Å; T37-I41 PolarHBondContact O-N 3.29Å; T37-I41 VanDerWaalsContact O-N 3.08Å
38	A	93.1	Very high	94	Very high	43 Å²	43	73.2 Å²	73.2	36%	0.355	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-30.9	176.8	0	0	0	0	0	112.3	R42	A38-R42 VanDerWaalsContact O-CG 3.26Å; A38-R42 WeakPolarHBondContact O-CG 3.33Å; A38-R42 PolarHBondContact O-N 3.21Å; A38-R42 VanDerWaalsContact O-N 3.13Å
39	E	94.3	Very high	94.1	Very high	148 Å²	148	70.7 Å²	70.7	69%	0.692	34%	0.335	S	S	*	.	H	α-helix	trans	-70.3	-42.1	176.8	-62.1	-171.2	169.9	0	0	112.6	T37 R42 K43	T37-E39 PolarHBondContact O-N 3.2Å; E39-R42 PolarHBondContact O-N 2.94Å; E39-K43 WeakPolarHBondContact O-CB 3.36Å; E39-K43 PolarHBondContact O-N 3.23Å
40	E	95	Very high	94.1	Very high	101 Å²	101	74.6 Å²	74.6	47%	0.472	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-42.8	176.2	-74	168.9	172.6	0	0	111.6	A36 T37 R42 K43 S44	A36-E40 WeakPolarHBondContact CA-OE2 3.38Å; A36-E40 HydrophobicContact CB-CB 4.21Å; A36-E40 WeakPolarHBondContact CB-OE2 3.4Å; T37-E40 PolarHBondContact N-OE2 3.13Å; T37-E40 PolarHBondContact O-N 2.87Å; T37-E40 WeakPolarHBondContact OG1-CG 3.43Å; T37-E40 PolarHBondContact OG1-N 2.99Å; E40-R42 PolarHBondContact O-N 3Å; E40-K43 PolarHBondContact O-N 3.26Å; E40-S44 PolarHBondContact O-N 3.3Å; E40-S44 PolarHBondContact O-OG 3.23Å
41	I	95.3	Very high	94.1	Very high	1 Å²	1	80 Å²	80	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-60.2	-45.2	175.3	-68.1	162.5	0	0	0	110.7	L30 V32 A36 T37 K43 S44 Y45 L77	L30-I41 HydrophobicContact CD1-CG2 4.21Å; V32-I41 HydrophobicContact CG2-CG1 4.37Å; A36-I41 HydrophobicContact CB-CG1 4.16Å; T37-I41 WeakPolarHBondContact O-CG1 3.37Å; T37-I41 PolarHBondContact O-N 3.29Å; T37-I41 VanDerWaalsContact O-N 3.08Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 3.19Å; I41-S44 PolarHBondContact O-N 3.43Å; I41-S44 PolarHBondContact O-OG 2.84Å; I41-Y45 WeakPolarHBondContact O-CB 3.26Å; I41-Y45 PolarHBondContact O-N 3.47Å; I41-L77 HydrophobicContact CD1-CB 4.27Å; I41-L77 HydrophobicContact CG2-CB 4.13Å
42	R	95.1	Very high	94.2	Very high	110 Å²	110	76.6 Å²	76.6	42%	0.415	36%	0.362	S	S	.	.	H	α-helix	trans	-65	-38.4	176.3	-69.9	173.5	-166	121.6	-0.8	111.7	A38 E39 E40 R46	A38-R42 VanDerWaalsContact O-CG 3.26Å; A38-R42 WeakPolarHBondContact O-CG 3.33Å; A38-R42 PolarHBondContact O-N 3.21Å; A38-R42 VanDerWaalsContact O-N 3.13Å; E39-R42 PolarHBondContact O-N 2.94Å; E40-R42 PolarHBondContact O-N 3Å; R42-R46 WeakPolarHBondContact O-CG 3.45Å; R42-R46 PolarHBondContact O-N 3.19Å; R42-R46 PolarHBondContact O-NH1 2.7Å
43	K	96	Very high	94.1	Very high	147 Å²	147	79 Å²	79	64%	0.639	37%	0.371	S	S	*	.	H	α-helix	trans	-66.5	-43.8	178.4	-173.6	179.5	179.5	-179.6	0	111.6	E39 E40 I41 R46 R47	E39-K43 WeakPolarHBondContact O-CB 3.36Å; E39-K43 PolarHBondContact O-N 3.23Å; E40-K43 PolarHBondContact O-N 3.26Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 3.19Å; K43-R46 PolarHBondContact O-N 3.35Å; K43-R47 PolarHBondContact O-N 2.87Å
44	S	96.2	Very high	94	Very high	8 Å²	8	77.2 Å²	77.2	6%	0.056	37%	0.365	C	S	.	.	H	α-helix	trans	-66.9	-41.7	177.6	71.3	0	0	0	0	111.5	L30 V32 E40 I41 R46 R47 L48	L30-S44 WeakPolarHBondContact O-CB 3.38Å; L30-S44 PolarHBondContact O-OG 3Å; V32-S44 VanDerWaalsContact CG1-OG 3.31Å; V32-S44 WeakPolarHBondContact CG1-OG 3.21Å; E40-S44 PolarHBondContact O-N 3.3Å; E40-S44 PolarHBondContact O-OG 3.23Å; I41-S44 PolarHBondContact O-N 3.43Å; I41-S44 PolarHBondContact O-OG 2.84Å; S44-R46 PolarHBondContact O-N 3.48Å; S44-R47 WeakPolarHBondContact O-CB 3.37Å; S44-R47 PolarHBondContact O-N 2.79Å; S44-L48 WeakPolarHBondContact O-CG 3.31Å; S44-L48 PolarHBondContact O-N 3.42Å
45	Y	96.7	Very high	94.1	Very high	51 Å²	51	77.5 Å²	77.5	20%	0.2	37%	0.373	C	S	.	.	H	α-helix	trans	-54.9	-51	172.6	171.1	-106.9	0	0	0	111.7	I41 R47 L48 A49 V70 H74	I41-Y45 WeakPolarHBondContact O-CB 3.26Å; I41-Y45 PolarHBondContact O-N 3.47Å; Y45-R47 VanDerWaalsContact C-N 3.31Å; Y45-R47 PolarHBondContact O-N 3.47Å; Y45-L48 PolarHBondContact O-N 2.89Å; Y45-A49 HydrophobicContact CE2-CB 4.31Å; Y45-A49 WeakPolarHBondContact O-CB 3.35Å; Y45-A49 PolarHBondContact O-N 3.33Å; Y45-V70 HydrophobicContact CD2-CG1 3.7Å; Y45-V70 HydrophobicContact CE2-CG1 4.1Å; Y45-H74 VanDerWaalsContact CB-CD2 3.45Å; Y45-H74 WeakPolarHBondContact CB-CD2 3.19Å; Y45-H74 AromaticContact CD1-CD2 3.83Å; Y45-H74 AromaticContact CD1-NE2 3.88Å; Y45-H74 HydrophobicContact CD2-CB 3.48Å; Y45-H74 VanDerWaalsContact CD2-CB 3.48Å; Y45-H74 AromaticContact CD2-CD2 3.97Å; Y45-H74 AromaticContact CD2-CG 3.63Å; Y45-H74 HydrophobicContact CE2-CB 3.97Å; Y45-H74 HydrophobicContact CG-CB 3.94Å; Y45-H74 AromaticContact CG-CD2 3.46Å; Y45-H74 VanDerWaalsContact CG-CD2 3.46Å; Y45-H74 AromaticContact CG-CG 3.6Å
46	R	96	Very high	94.1	Very high	139 Å²	139	77.7 Å²	77.7	53%	0.525	37%	0.367	S	S	.	.	H	α-helix	trans	-57	-43.1	178	-73	-171.1	-57.9	-90.5	6	112.4	R42 K43 S44 L50	R42-R46 WeakPolarHBondContact O-CG 3.45Å; R42-R46 PolarHBondContact O-N 3.19Å; R42-R46 PolarHBondContact O-NH1 2.7Å; K43-R46 PolarHBondContact O-N 3.35Å; S44-R46 PolarHBondContact O-N 3.48Å; R46-L50 WeakPolarHBondContact O-CG 3.31Å; R46-L50 PolarHBondContact O-N 3.46Å
47	R	96	Very high	94	Very high	114 Å²	114	79.4 Å²	79.4	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-45.8	177.8	179.4	-179.4	60	87.7	1.4	111.9	E31 K43 S44 Y45 K51	E31-R47 IonicContact OE2-CZ 3.21Å; E31-R47 IonicContact OE2-NH1 2.79Å; E31-R47 PolarHBondContact OE2-NH1 2.98Å; E31-R47 IonicContact OE2-NH2 2.7Å; E31-R47 PolarHBondContact OE2-NH2 2.91Å; K43-R47 PolarHBondContact O-N 2.87Å; S44-R47 WeakPolarHBondContact O-CB 3.37Å; S44-R47 PolarHBondContact O-N 2.79Å; Y45-R47 VanDerWaalsContact C-N 3.31Å; Y45-R47 PolarHBondContact O-N 3.47Å; R47-K51 PolarHBondContact O-N 3.13Å
48	L	95.5	Very high	93.7	Very high	1 Å²	1	83.7 Å²	83.7	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-74	-37.8	-177.8	-67.1	170.6	0	0	0	112.3	I29 L30 S44 Y45 L50 K51 Y52 V70	I29-L48 WeakPolarHBondContact O-CD1 3.25Å; L30-L48 HydrophobicContact CD2-CD1 4.4Å; S44-L48 WeakPolarHBondContact O-CG 3.31Å; S44-L48 PolarHBondContact O-N 3.42Å; Y45-L48 PolarHBondContact O-N 2.89Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.08Å; L48-K51 PolarHBondContact O-N 3.38Å; L48-K51 VanDerWaalsContact O-N 3.16Å; L48-Y52 HydrophobicContact CB-CD2 4.49Å; L48-Y52 HydrophobicContact CD2-CE2 3.99Å; L48-Y52 WeakPolarHBondContact O-CD2 3.44Å; L48-Y52 PolarHBondContact O-N 3.29Å; L48-V70 HydrophobicContact CB-CG1 3.88Å; L48-V70 HydrophobicContact CB-CG2 4.1Å; L48-V70 HydrophobicContact CD1-CG1 4.47Å; L48-V70 HydrophobicContact CD1-CG2 4.19Å
49	A	94.9	Very high	93.4	Very high	14 Å²	14	91 Å²	91	12%	0.116	42%	0.419	C	S	.	.	H	α-helix	trans	-60.6	-41.9	175.8	0	0	0	0	0	111.6	Y45 H53 F67	Y45-A49 HydrophobicContact CE2-CB 4.31Å; Y45-A49 WeakPolarHBondContact O-CB 3.35Å; Y45-A49 PolarHBondContact O-N 3.33Å; A49-H53 WeakPolarHBondContact O-CA 3.43Å; A49-H53 VanDerWaalsContact O-CB 3.31Å; A49-H53 WeakPolarHBondContact O-CB 3.49Å; A49-H53 PolarHBondContact O-N 2.9Å; A49-F67 HydrophobicContact CB-CE2 3.96Å
50	L	93.5	Very high	93.2	Very high	116 Å²	116	88.7 Å²	88.7	61%	0.607	41%	0.411	S	S	*	.	H	α-helix	trans	-67.8	-36.3	174.3	-71.2	170.9	0	0	0	112.6	R46 L48	R46-L50 WeakPolarHBondContact O-CG 3.31Å; R46-L50 PolarHBondContact O-N 3.46Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.08Å
51	K	93	Very high	92.8	Very high	113 Å²	113	89 Å²	89	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-68.7	-43.1	179.8	-175.1	178.1	179.1	-177.5	0	112.1	R47 L48 N57	R47-K51 PolarHBondContact O-N 3.13Å; L48-K51 PolarHBondContact O-N 3.38Å; L48-K51 VanDerWaalsContact O-N 3.16Å; K51-N57 PolarHBondContact O-ND2 3.31Å
52	Y	94.5	Very high	92.6	Very high	37 Å²	37	90.4 Å²	90.4	15%	0.145	44%	0.436	C	S	.	.	S	Bend	trans	-103.3	15.6	-176.2	-59.5	-58.3	0	0	0	113.5	L48 A63 K66	L48-Y52 HydrophobicContact CB-CD2 4.49Å; L48-Y52 HydrophobicContact CD2-CE2 3.99Å; L48-Y52 WeakPolarHBondContact O-CD2 3.44Å; L48-Y52 PolarHBondContact O-N 3.29Å; Y52-A63 HydrophobicContact CD1-CB 4.5Å; Y52-K66 HydrophobicContact CD1-CB 4.16Å; Y52-K66 HydrophobicContact CD1-CD 4.03Å; Y52-K66 HydrophobicContact CD2-CB 4.12Å; Y52-K66 HydrophobicContact CE1-CB 4.41Å; Y52-K66 HydrophobicContact CE1-CD 3.53Å; Y52-K66 HydrophobicContact CE2-CB 4.34Å; Y52-K66 HydrophobicContact CE2-CD 4.26Å; Y52-K66 HydrophobicContact CG-CB 4.02Å
53	H	92.7	Very high	92.5	Very high	77 Å²	77	85.4 Å²	85.4	36%	0.356	42%	0.419	S	S	.	.			trans	-58.4	132.7	179.5	-163.7	-90.8	0	0	0	110.4	A49 D55 K56 N57	A49-H53 WeakPolarHBondContact O-CA 3.43Å; A49-H53 VanDerWaalsContact O-CB 3.31Å; A49-H53 WeakPolarHBondContact O-CB 3.49Å; A49-H53 PolarHBondContact O-N 2.9Å; H53-D55 VanDerWaalsContact CE1-CB 3.49Å; H53-D55 WeakPolarHBondContact CE1-CB 3.35Å; H53-D55 WeakPolarHBondContact ND1-CB 3.32Å; H53-D55 PolarHBondContact ND1-N 3.19Å; H53-D55 PolarHBondContact O-N 3.02Å; H53-K56 PolarHBondContact O-N 3.03Å; H53-K56 VanDerWaalsContact O-N 3.13Å; H53-N57 PolarHBondContact O-N 3.5Å; H53-N57 PolarHBondContact O-ND2 2.95Å
54	P	90.8	Very high	92.2	Very high	63 Å²	63	81 Å²	81	41%	0.409	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.5	-176.4	22.9	-33.7	0	0	0	112.7	K56 N57 L58	P54-K56 VanDerWaalsContact C-N 3.33Å; P54-K56 PolarHBondContact O-N 3.17Å; P54-N57 CarbonylContact O-C 3.58Å; P54-N57 PolarHBondContact O-N 3.26Å; P54-L58 PolarHBondContact O-N 3.08Å
55	D	91.4	Very high	92	Very high	131 Å²	131	86.4 Å²	86.4	70%	0.701	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-38.2	176.7	-172	54.7	0	0	0	113	H53	H53-D55 VanDerWaalsContact CE1-CB 3.49Å; H53-D55 WeakPolarHBondContact CE1-CB 3.35Å; H53-D55 WeakPolarHBondContact ND1-CB 3.32Å; H53-D55 PolarHBondContact ND1-N 3.19Å; H53-D55 PolarHBondContact O-N 3.02Å
56	K	91.1	Very high	91.8	Very high	145 Å²	145	88.7 Å²	88.7	63%	0.63	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-23.4	-179.5	-68.4	-176.3	-179.2	-66.4	0	112.8	H53 P54	H53-K56 PolarHBondContact O-N 3.03Å; H53-K56 VanDerWaalsContact O-N 3.13Å; P54-K56 VanDerWaalsContact C-N 3.33Å; P54-K56 PolarHBondContact O-N 3.17Å
57	N	90	Very high	91.7	Very high	39 Å²	39	84.6 Å²	84.6	21%	0.209	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	44.7	-171.3	-58.2	-80.5	0	0	0	111.8	K51 H53 P54 K59 D60 A63	K51-N57 PolarHBondContact O-ND2 3.31Å; H53-N57 PolarHBondContact O-N 3.5Å; H53-N57 PolarHBondContact O-ND2 2.95Å; P54-N57 CarbonylContact O-C 3.58Å; P54-N57 PolarHBondContact O-N 3.26Å; N57-K59 PolarHBondContact O-N 3.3Å; N57-D60 HydrophobicContact CB-CB 4.45Å; N57-D60 PolarHBondContact O-N 3.21Å; N57-D60 VanDerWaalsContact O-N 3.13Å; N57-A63 HydrophobicContact CB-CB 3.38Å
58	L	86.9	Confident	91.6	Very high	160 Å²	160	85.8 Å²	85.8	84%	0.838	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.7	-175.9	-170.1	60.4	0	0	0	113.8	P54	P54-L58 PolarHBondContact O-N 3.08Å
59	K	86.7	Confident	91.4	Very high	197 Å²	197	90.6 Å²	90.6	86%	0.857	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-16.6	-178	-61.4	-179.3	-178.1	178.4	0	114	N57 P61	N57-K59 PolarHBondContact O-N 3.3Å; K59-P61 WeakPolarHBondContact O-CD 3.37Å
60	D	90.3	Very high	91.4	Very high	99 Å²	99	90.1 Å²	90.1	53%	0.529	45%	0.454	S	S	.	.			trans	-106.9	101	-172.6	-69.3	-39.8	0	0	0	110.6	N57 G62 A63	N57-D60 HydrophobicContact CB-CB 4.45Å; N57-D60 PolarHBondContact O-N 3.21Å; N57-D60 VanDerWaalsContact O-N 3.13Å; D60-G62 PolarHBondContact O-N 2.94Å; D60-A63 HydrophobicContact CB-CB 4.16Å; D60-A63 WeakPolarHBondContact O-CB 3.49Å; D60-A63 PolarHBondContact O-N 3.13Å
61	P	87	Confident	91.4	Very high	106 Å²	106	87.8 Å²	87.8	69%	0.688	44%	0.442	S	S	*	.	H	α-helix	trans	-60.5	-30.6	178.9	23.4	-33.1	0	0	0	112.4	K59 A63 S64 E65	K59-P61 WeakPolarHBondContact O-CD 3.37Å; P61-A63 VanDerWaalsContact C-N 3.26Å; P61-A63 PolarHBondContact O-N 3.13Å; P61-S64 WeakPolarHBondContact O-CB 3.18Å; P61-S64 PolarHBondContact O-N 3.37Å; P61-E65 PolarHBondContact O-N 3.47Å
62	G	90.7	Very high	91.4	Very high	31 Å²	31	86.6 Å²	86.6	32%	0.32	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-19.9	176.6	0	0	0	0	0	114.4	D60 K66	D60-G62 PolarHBondContact O-N 2.94Å; G62-K66 WeakPolarHBondContact O-CB 3.16Å; G62-K66 VanDerWaalsContact O-CG 3.32Å; G62-K66 WeakPolarHBondContact O-CG 3.07Å; G62-K66 PolarHBondContact O-N 3.18Å; G62-K66 VanDerWaalsContact O-N 3.08Å
63	A	92	Very high	91.3	Very high	6 Å²	6	84.9 Å²	84.9	5%	0.05	43%	0.428	C	S	.	.	H	α-helix	trans	-69.2	-38.3	174.7	0	0	0	0	0	111.2	Y52 N57 D60 P61 K66 F67	Y52-A63 HydrophobicContact CD1-CB 4.5Å; N57-A63 HydrophobicContact CB-CB 3.38Å; D60-A63 HydrophobicContact CB-CB 4.16Å; D60-A63 WeakPolarHBondContact O-CB 3.49Å; D60-A63 PolarHBondContact O-N 3.13Å; P61-A63 VanDerWaalsContact C-N 3.26Å; P61-A63 PolarHBondContact O-N 3.13Å; A63-K66 PolarHBondContact O-N 2.81Å; A63-F67 WeakPolarHBondContact O-CB 3.42Å; A63-F67 PolarHBondContact O-N 3.35Å
64	S	91.2	Very high	91.4	Very high	53 Å²	53	82.9 Å²	82.9	37%	0.371	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-44.8	175.6	-175.8	0	0	0	0	111.7	P61 F67 K68	P61-S64 WeakPolarHBondContact O-CB 3.18Å; P61-S64 PolarHBondContact O-N 3.37Å; S64-F67 PolarHBondContact O-N 2.94Å; S64-K68 WeakPolarHBondContact O-CG 3.41Å; S64-K68 PolarHBondContact O-N 3.46Å
65	E	91.8	Very high	91.4	Very high	123 Å²	123	82.7 Å²	82.7	58%	0.575	42%	0.419	S	S	*	.	H	α-helix	trans	-61.3	-47.7	176.5	-67.4	177.8	178.4	0	0	111.7	P61 F67 K68 E69	P61-E65 PolarHBondContact O-N 3.47Å; E65-F67 VanDerWaalsContact C-N 3.31Å; E65-F67 PolarHBondContact O-N 3.47Å; E65-K68 WeakPolarHBondContact O-CB 3.43Å; E65-K68 PolarHBondContact O-N 3.03Å; E65-K68 VanDerWaalsContact O-N 3.17Å; E65-E69 PolarHBondContact O-N 3.44Å
66	K	92.1	Very high	91.4	Very high	99 Å²	99	76.8 Å²	76.8	43%	0.43	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-38	176	-73.1	179.7	-179.2	179.5	0	112.7	Y52 G62 A63 K68 E69 V70	Y52-K66 HydrophobicContact CD1-CB 4.16Å; Y52-K66 HydrophobicContact CD1-CD 4.03Å; Y52-K66 HydrophobicContact CD2-CB 4.12Å; Y52-K66 HydrophobicContact CE1-CB 4.41Å; Y52-K66 HydrophobicContact CE1-CD 3.53Å; Y52-K66 HydrophobicContact CE2-CB 4.34Å; Y52-K66 HydrophobicContact CE2-CD 4.26Å; Y52-K66 HydrophobicContact CG-CB 4.02Å; G62-K66 WeakPolarHBondContact O-CB 3.16Å; G62-K66 VanDerWaalsContact O-CG 3.32Å; G62-K66 WeakPolarHBondContact O-CG 3.07Å; G62-K66 PolarHBondContact O-N 3.18Å; G62-K66 VanDerWaalsContact O-N 3.08Å; A63-K66 PolarHBondContact O-N 2.81Å; K66-K68 VanDerWaalsContact C-N 3.33Å; K66-E69 PolarHBondContact O-N 3.29Å; K66-V70 WeakPolarHBondContact O-CB 3.41Å; K66-V70 VanDerWaalsContact O-CG2 3.25Å; K66-V70 WeakPolarHBondContact O-CG2 3.41Å; K66-V70 PolarHBondContact O-N 3.24Å
67	F	94	Very high	91.4	Very high	52 Å²	52	70 Å²	70	23%	0.228	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-41.4	176.3	-174.2	-100	0	0	0	111.5	A49 A63 S64 E65 V70 N71	A49-F67 HydrophobicContact CB-CE2 3.96Å; A63-F67 WeakPolarHBondContact O-CB 3.42Å; A63-F67 PolarHBondContact O-N 3.35Å; S64-F67 PolarHBondContact O-N 2.94Å; E65-F67 VanDerWaalsContact C-N 3.31Å; E65-F67 PolarHBondContact O-N 3.47Å; F67-V70 PolarHBondContact O-N 3.27Å; F67-N71 VanDerWaalsContact O-CB 3.31Å; F67-N71 WeakPolarHBondContact O-CB 3.44Å; F67-N71 PolarHBondContact O-N 2.97Å
68	K	92.5	Very high	91.5	Very high	139 Å²	139	69.7 Å²	69.7	60%	0.604	36%	0.361	S	S	*	.	H	α-helix	trans	-60.7	-45.2	174.1	-68.5	172.5	-176.1	-179.6	0	111.5	S64 E65 K66 N71 R72	S64-K68 WeakPolarHBondContact O-CG 3.41Å; S64-K68 PolarHBondContact O-N 3.46Å; E65-K68 WeakPolarHBondContact O-CB 3.43Å; E65-K68 PolarHBondContact O-N 3.03Å; E65-K68 VanDerWaalsContact O-N 3.17Å; K66-K68 VanDerWaalsContact C-N 3.33Å; K68-N71 PolarHBondContact O-N 3.44Å; K68-R72 WeakPolarHBondContact O-CB 3.42Å; K68-R72 PolarHBondContact O-N 3.42Å
69	E	92.5	Very high	91.6	Very high	102 Å²	102	65.2 Å²	65.2	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-47.3	177.2	-71.3	177.9	-173.5	0	0	112.2	I29 E65 K66 N71 R72 A73	I29-E69 HydrophobicContact CD1-CB 4.26Å; I29-E69 HydrophobicContact CG2-CB 4.19Å; E65-E69 PolarHBondContact O-N 3.44Å; K66-E69 PolarHBondContact O-N 3.29Å; E69-N71 VanDerWaalsContact C-N 3.34Å; E69-N71 PolarHBondContact O-N 3.47Å; E69-R72 PolarHBondContact O-N 2.91Å; E69-A73 WeakPolarHBondContact O-CB 3.46Å; E69-A73 PolarHBondContact O-N 3.32Å
70	V	94.6	Very high	91.8	Very high	4 Å²	4	62 Å²	62	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-43.4	177.9	167.9	0	0	0	0	111.2	I29 L30 Y45 L48 K66 F67 A73 H74	I29-V70 HydrophobicContact CG2-CB 4.44Å; I29-V70 HydrophobicContact CG2-CG2 3.86Å; L30-V70 HydrophobicContact CD2-CG1 4.42Å; Y45-V70 HydrophobicContact CD2-CG1 3.7Å; Y45-V70 HydrophobicContact CE2-CG1 4.1Å; L48-V70 HydrophobicContact CB-CG1 3.88Å; L48-V70 HydrophobicContact CB-CG2 4.1Å; L48-V70 HydrophobicContact CD1-CG1 4.47Å; L48-V70 HydrophobicContact CD1-CG2 4.19Å; K66-V70 WeakPolarHBondContact O-CB 3.41Å; K66-V70 VanDerWaalsContact O-CG2 3.25Å; K66-V70 WeakPolarHBondContact O-CG2 3.41Å; K66-V70 PolarHBondContact O-N 3.24Å; F67-V70 PolarHBondContact O-N 3.27Å; V70-A73 PolarHBondContact O-N 3.02Å; V70-H74 WeakPolarHBondContact O-CB 3.35Å; V70-H74 PolarHBondContact O-N 3.26Å
71	N	93.8	Very high	91.6	Very high	67 Å²	67	60.7 Å²	60.7	36%	0.358	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-45.8	177.6	-170.3	53.5	0	0	0	111.3	F67 K68 E69 A73 H74 S75	F67-N71 VanDerWaalsContact O-CB 3.31Å; F67-N71 WeakPolarHBondContact O-CB 3.44Å; F67-N71 PolarHBondContact O-N 2.97Å; K68-N71 PolarHBondContact O-N 3.44Å; E69-N71 VanDerWaalsContact C-N 3.34Å; E69-N71 PolarHBondContact O-N 3.47Å; N71-A73 PolarHBondContact O-N 3.1Å; N71-H74 PolarHBondContact O-N 2.9Å; N71-S75 PolarHBondContact O-N 2.91Å; N71-S75 PolarHBondContact O-OG 3.42Å; N71-S75 VanDerWaalsContact O-OG 3.1Å
72	R	91.7	Very high	91.7	Very high	89 Å²	89	57.8 Å²	57.8	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-46.3	176.6	-173.6	174.7	-173.9	-114.6	7.4	111.8	K68 E69 H74 S75 I76 E98	K68-R72 WeakPolarHBondContact O-CB 3.42Å; K68-R72 PolarHBondContact O-N 3.42Å; E69-R72 PolarHBondContact O-N 2.91Å; R72-H74 VanDerWaalsContact C-N 3.35Å; R72-H74 PolarHBondContact O-N 2.87Å; R72-S75 PolarHBondContact O-N 3.06Å; R72-I76 HydrophobicContact CG-CD1 4.04Å; R72-I76 WeakPolarHBondContact O-CD1 3.18Å; R72-I76 WeakPolarHBondContact O-CG1 3.46Å; R72-I76 PolarHBondContact O-N 2.93Å; R72-E98 IonicContact CZ-OE1 3.85Å; R72-E98 VanDerWaalsContact CZ-OE1 3.31Å; R72-E98 IonicContact CZ-OE2 2.68Å; R72-E98 IonicContact NE-OE1 3.96Å; R72-E98 PolarHBondContact NE-OE1 2.95Å; R72-E98 IonicContact NE-OE2 3.04Å; R72-E98 VanDerWaalsContact NH2-CD 3.33Å; R72-E98 IonicContact NH2-OE1 2.8Å; R72-E98 PolarHBondContact NH2-OE1 3.05Å; R72-E98 IonicContact NH2-OE2 2.87Å; R72-E98 PolarHBondContact NH2-OE2 2.87Å
73	A	92.9	Very high	91.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-42.5	178.1	0	0	0	0	0	112.2	L26 I29 L30 E69 V70 N71 I76 L77	L26-A73 HydrophobicContact CB-CB 4.13Å; L26-A73 HydrophobicContact CD2-CB 4.09Å; I29-A73 HydrophobicContact CB-CB 4.12Å; I29-A73 HydrophobicContact CD1-CB 4.4Å; I29-A73 HydrophobicContact CG2-CB 3.99Å; L30-A73 HydrophobicContact CD1-CB 3.69Å; L30-A73 HydrophobicContact CG-CB 4.06Å; E69-A73 WeakPolarHBondContact O-CB 3.46Å; E69-A73 PolarHBondContact O-N 3.32Å; V70-A73 PolarHBondContact O-N 3.02Å; N71-A73 PolarHBondContact O-N 3.1Å; A73-I76 PolarHBondContact O-N 2.93Å; A73-L77 WeakPolarHBondContact O-CB 3.46Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.29Å
74	H	94.5	Very high	91.5	Very high	35 Å²	35	63.8 Å²	63.8	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-45.2	176.4	178.1	-96	0	0	0	112	Y45 V70 N71 R72 I76 L77 A78	Y45-H74 VanDerWaalsContact CB-CD2 3.45Å; Y45-H74 WeakPolarHBondContact CB-CD2 3.19Å; Y45-H74 AromaticContact CD1-CD2 3.83Å; Y45-H74 AromaticContact CD1-NE2 3.88Å; Y45-H74 HydrophobicContact CD2-CB 3.48Å; Y45-H74 VanDerWaalsContact CD2-CB 3.48Å; Y45-H74 AromaticContact CD2-CD2 3.97Å; Y45-H74 AromaticContact CD2-CG 3.63Å; Y45-H74 HydrophobicContact CE2-CB 3.97Å; Y45-H74 HydrophobicContact CG-CB 3.94Å; Y45-H74 AromaticContact CG-CD2 3.46Å; Y45-H74 VanDerWaalsContact CG-CD2 3.46Å; Y45-H74 AromaticContact CG-CG 3.6Å; V70-H74 WeakPolarHBondContact O-CB 3.35Å; V70-H74 PolarHBondContact O-N 3.26Å; N71-H74 PolarHBondContact O-N 2.9Å; R72-H74 VanDerWaalsContact C-N 3.35Å; R72-H74 PolarHBondContact O-N 2.87Å; H74-I76 PolarHBondContact O-N 2.91Å; H74-L77 PolarHBondContact O-N 2.83Å; H74-A78 WeakPolarHBondContact O-CB 3.43Å; H74-A78 PolarHBondContact O-N 2.68Å
75	S	91.4	Very high	91.3	Very high	60 Å²	60	61.6 Å²	61.6	42%	0.42	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-34.8	179.5	-63.3	0	0	0	0	113.4	N71 R72	N71-S75 PolarHBondContact O-N 2.91Å; N71-S75 PolarHBondContact O-OG 3.42Å; N71-S75 VanDerWaalsContact O-OG 3.1Å; R72-S75 PolarHBondContact O-N 3.06Å
76	I	90.8	Very high	91.2	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-79.9	-44.2	178.7	-61.2	158.7	0	0	0	111.1	L26 R72 A73 H74 K82 R83 I94	L26-I76 HydrophobicContact CD1-CB 3.76Å; L26-I76 HydrophobicContact CD1-CD1 3.72Å; L26-I76 HydrophobicContact CD1-CG1 4.36Å; L26-I76 HydrophobicContact CD1-CG2 3.47Å; L26-I76 VanDerWaalsContact CD1-CG2 3.47Å; L26-I76 HydrophobicContact CD2-CD1 4.11Å; R72-I76 HydrophobicContact CG-CD1 4.04Å; R72-I76 WeakPolarHBondContact O-CD1 3.18Å; R72-I76 WeakPolarHBondContact O-CG1 3.46Å; R72-I76 PolarHBondContact O-N 2.93Å; A73-I76 PolarHBondContact O-N 2.93Å; H74-I76 PolarHBondContact O-N 2.91Å; I76-K82 HydrophobicContact CG2-CB 4.2Å; I76-K82 VanDerWaalsContact O-CB 3.31Å; I76-K82 WeakPolarHBondContact O-CB 3.44Å; I76-R83 PolarHBondContact O-N 3.44Å; I76-I94 HydrophobicContact CD1-CB 4.33Å; I76-I94 HydrophobicContact CD1-CD1 4.02Å; I76-I94 HydrophobicContact CD1-CG1 4.04Å; I76-I94 HydrophobicContact CD1-CG2 3.38Å; I76-I94 HydrophobicContact CG1-CG2 4.15Å; I76-I94 HydrophobicContact CG2-CG1 4.46Å
77	L	91.9	Very high	91	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-80.4	-20	-176.1	-65.7	-175	0	0	0	113.9	L26 Y27 L30 I41 A73 H74 R83 Y86	L26-L77 HydrophobicContact CB-CD1 3.96Å; L26-L77 HydrophobicContact CB-CD2 4.37Å; L26-L77 HydrophobicContact CB-CG 4.1Å; L26-L77 HydrophobicContact CD1-CD2 4.29Å; L26-L77 HydrophobicContact CD1-CG 4.36Å; Y27-L77 HydrophobicContact CD1-CD1 3.74Å; Y27-L77 HydrophobicContact CD1-CD2 4.45Å; Y27-L77 HydrophobicContact CE1-CD1 3.84Å; Y27-L77 HydrophobicContact CE1-CD2 3.81Å; Y27-L77 HydrophobicContact CE1-CG 4.5Å; Y27-L77 HydrophobicContact CE2-CD2 4.24Å; Y27-L77 HydrophobicContact CG-CD1 4.27Å; L30-L77 HydrophobicContact CD1-CD1 3.68Å; I41-L77 HydrophobicContact CD1-CB 4.27Å; I41-L77 HydrophobicContact CG2-CB 4.13Å; A73-L77 WeakPolarHBondContact O-CB 3.46Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.29Å; H74-L77 PolarHBondContact O-N 2.83Å; L77-R83 HydrophobicContact CD2-CB 4.37Å; L77-R83 HydrophobicContact CD2-CG 3.94Å; L77-Y86 HydrophobicContact CD2-CD1 4.41Å
78	A	91.3	Very high	90.7	Very high	32 Å²	32	61.1 Å²	61.1	26%	0.264	29%	0.288	S	S	.	.	H	α-helix	trans	-69.3	-36.7	177	0	0	0	0	0	112.2	H74	H74-A78 WeakPolarHBondContact O-CB 3.43Å; H74-A78 PolarHBondContact O-N 2.68Å
79	N	90.2	Very high	90.4	Very high	66 Å²	66	57.5 Å²	57.5	35%	0.353	27%	0.271	S	S	.	.	S	Bend	trans	-87.3	117.6	176	-70.6	-4.3	0	0	0	109.6	Q81 K82 R83 E102	N79-Q81 PolarHBondContact O-N 3.26Å; N79-Q81 VanDerWaalsContact O-N 3.12Å; N79-K82 HydrophobicContact CB-CB 4.09Å; N79-K82 HydrophobicContact CB-CD 4.21Å; N79-K82 HydrophobicContact CB-CG 3.92Å; N79-K82 PolarHBondContact O-N 2.98Å; N79-K82 VanDerWaalsContact O-N 3.15Å; N79-R83 PolarHBondContact O-N 3.3Å; N79-E102 PolarHBondContact ND2-OE1 3.17Å
80	E	89.9	Confident	90.2	Very high	128 Å²	128	53.3 Å²	53.3	60%	0.598	26%	0.255	S	S	*	.	H	α-helix	trans	-56.7	-33.9	-177.8	-167.7	-174.8	160.3	0	0	112.5	K84	E80-K84 HydrophobicContact CG-CD 4.49Å; E80-K84 VanDerWaalsContact O-CG 3.3Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 2.91Å; E80-K84 WeakPolarHBondContact OE1-CE 3.31Å; E80-K84 IonicContact OE1-NZ 3.31Å; E80-K84 PolarHBondContact OE1-NZ 3.14Å
81	Q	86.7	Confident	89.8	Confident	73 Å²	73	55.4 Å²	55.4	34%	0.341	27%	0.273	S	S	.	.	H	α-helix	trans	-70.8	-44.6	-179.8	-54.2	-169.5	-48.6	0	0	111.9	N79 R83 K84 L85 E102 W105	N79-Q81 PolarHBondContact O-N 3.26Å; N79-Q81 VanDerWaalsContact O-N 3.12Å; Q81-R83 VanDerWaalsContact C-N 3.35Å; Q81-K84 PolarHBondContact O-N 2.87Å; Q81-L85 PolarHBondContact O-N 3.12Å; Q81-E102 PolarHBondContact OE1-OE2 3.3Å; Q81-W105 HydrophobicContact CB-CH2 4.45Å; Q81-W105 HydrophobicContact CB-CZ2 4Å
82	K	88.7	Confident	89.4	Confident	45 Å²	45	57.4 Å²	57.4	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-38.9	176	-61.2	-166.9	-179.4	-156.3	0	111.1	I76 N79 L85 Y86 A97 E102	I76-K82 HydrophobicContact CG2-CB 4.2Å; I76-K82 VanDerWaalsContact O-CB 3.31Å; I76-K82 WeakPolarHBondContact O-CB 3.44Å; N79-K82 HydrophobicContact CB-CB 4.09Å; N79-K82 HydrophobicContact CB-CD 4.21Å; N79-K82 HydrophobicContact CB-CG 3.92Å; N79-K82 PolarHBondContact O-N 2.98Å; N79-K82 VanDerWaalsContact O-N 3.15Å; K82-L85 PolarHBondContact O-N 3.04Å; K82-Y86 WeakPolarHBondContact O-CB 3.42Å; K82-Y86 PolarHBondContact O-N 2.8Å; K82-A97 HydrophobicContact CB-CB 4.34Å; K82-A97 HydrophobicContact CD-CB 3.98Å; K82-A97 HydrophobicContact CG-CB 3.9Å; K82-A97 PolarHBondContact NZ-O 3.03Å; K82-E102 WeakPolarHBondContact CE-OE1 3.07Å
83	R	90.5	Very high	89.1	Confident	44 Å²	44	53.2 Å²	53.2	17%	0.166	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-50.4	171.6	-176.8	174.8	-179.4	176.3	0.7	111.9	Y27 K34 A36 I76 L77 N79 Q81 L85 Y86 D87	Y27-R83 WeakPolarHBondContact OH-CG 3.3Å; Y27-R83 PolarHBondContact OH-NE 2.94Å; K34-R83 PolarHBondContact O-NH2 3.27Å; A36-R83 PolarHBondContact O-NH1 3.31Å; A36-R83 PolarHBondContact O-NH2 3.43Å; I76-R83 PolarHBondContact O-N 3.44Å; L77-R83 HydrophobicContact CD2-CB 4.37Å; L77-R83 HydrophobicContact CD2-CG 3.94Å; N79-R83 PolarHBondContact O-N 3.3Å; Q81-R83 VanDerWaalsContact C-N 3.35Å; R83-L85 VanDerWaalsContact C-N 3.28Å; R83-L85 PolarHBondContact O-N 3.12Å; R83-Y86 WeakPolarHBondContact O-CB 3.21Å; R83-Y86 PolarHBondContact O-N 3.15Å; R83-D87 PolarHBondContact O-N 2.78Å
84	K	88.3	Confident	88.8	Confident	118 Å²	118	53.5 Å²	53.5	51%	0.513	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-39.5	176.7	-75.5	171.7	-177.1	168.3	0	112.5	E80 Q81 D87 R88	E80-K84 HydrophobicContact CG-CD 4.49Å; E80-K84 VanDerWaalsContact O-CG 3.3Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 2.91Å; E80-K84 WeakPolarHBondContact OE1-CE 3.31Å; E80-K84 IonicContact OE1-NZ 3.31Å; E80-K84 PolarHBondContact OE1-NZ 3.14Å; Q81-K84 PolarHBondContact O-N 2.87Å; K84-D87 PolarHBondContact O-N 2.87Å; K84-R88 WeakPolarHBondContact O-CB 2.91Å; K84-R88 PolarHBondContact O-N 2.99Å
85	L	87	Confident	88.4	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-41.2	179.3	-168.8	68.2	0	0	0	111.4	Q81 K82 R83 R88 Y89 G93 V96 A97 W105 L109	Q81-L85 PolarHBondContact O-N 3.12Å; K82-L85 PolarHBondContact O-N 3.04Å; R83-L85 VanDerWaalsContact C-N 3.28Å; R83-L85 PolarHBondContact O-N 3.12Å; L85-R88 PolarHBondContact O-N 3.24Å; L85-Y89 HydrophobicContact CD1-CD2 3.26Å; L85-Y89 HydrophobicContact CD1-CE2 3.45Å; L85-Y89 VanDerWaalsContact CD1-CE2 3.45Å; L85-Y89 HydrophobicContact CD1-CG 4.35Å; L85-Y89 HydrophobicContact CG-CD2 4.08Å; L85-Y89 PolarHBondContact O-N 2.83Å; L85-G93 WeakPolarHBondContact CD2-O 3.27Å; L85-V96 HydrophobicContact CD2-CB 4.16Å; L85-V96 HydrophobicContact CD2-CG1 3.97Å; L85-A97 HydrophobicContact CD2-CB 4.09Å; L85-W105 HydrophobicContact CB-CH2 3.96Å; L85-W105 HydrophobicContact CB-CZ3 4.29Å; L85-W105 HydrophobicContact CD1-CE3 4.03Å; L85-W105 HydrophobicContact CD1-CH2 4.11Å; L85-W105 HydrophobicContact CD1-CZ3 3.55Å; L85-W105 HydrophobicContact CD2-CD2 4.35Å; L85-W105 HydrophobicContact CD2-CE3 4.2Å; L85-W105 HydrophobicContact CD2-CH2 4.12Å; L85-W105 HydrophobicContact CD2-CZ2 4.28Å; L85-W105 HydrophobicContact CD2-CZ3 4.07Å; L85-W105 HydrophobicContact CG-CH2 4.29Å; L85-W105 HydrophobicContact CG-CZ3 4.18Å; L85-L109 HydrophobicContact CD1-CD1 4.22Å
86	Y	89.1	Confident	88	Confident	14 Å²	14	57 Å²	57	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-45.3	171.6	174.7	-110.6	0	0	0	112.1	I24 N25 L26 Y27 L77 K82 R83 R88 G90 I94	I24-Y86 PolarHBondContact O-OH 3.31Å; N25-Y86 VanDerWaalsContact CA-OH 3.31Å; N25-Y86 WeakPolarHBondContact CA-OH 3.31Å; L26-Y86 HydrophobicContact CB-CE1 4.18Å; L26-Y86 HydrophobicContact CD1-CD1 3.96Å; L26-Y86 HydrophobicContact CD1-CD2 3.87Å; L26-Y86 HydrophobicContact CD1-CE1 3.97Å; L26-Y86 HydrophobicContact CD1-CE2 3.89Å; L26-Y86 HydrophobicContact CD1-CG 3.88Å; L26-Y86 HydrophobicContact CG-CD2 4.41Å; L26-Y86 HydrophobicContact CG-CE1 4.03Å; L26-Y86 HydrophobicContact CG-CE2 3.91Å; L26-Y86 PolarHBondContact N-OH 3.21Å; L26-Y86 VanDerWaalsContact N-OH 3.12Å; Y27-Y86 AromaticContact CD2-CE1 3.98Å; Y27-Y86 HydrophobicContact CD2-CE1 3.98Å; Y27-Y86 HydrophobicContact CE2-CD1 4.02Å; Y27-Y86 AromaticContact CE2-CE1 3.66Å; Y27-Y86 HydrophobicContact CE2-CE1 3.66Å; L77-Y86 HydrophobicContact CD2-CD1 4.41Å; K82-Y86 WeakPolarHBondContact O-CB 3.42Å; K82-Y86 PolarHBondContact O-N 2.8Å; R83-Y86 WeakPolarHBondContact O-CB 3.21Å; R83-Y86 PolarHBondContact O-N 3.15Å; Y86-R88 VanDerWaalsContact C-N 3.25Å; Y86-R88 PolarHBondContact O-N 3.34Å; Y86-G90 WeakPolarHBondContact O-CA 3.48Å; Y86-G90 PolarHBondContact O-N 3.03Å; Y86-I94 HydrophobicContact CD2-CD1 3.51Å; Y86-I94 HydrophobicContact CD2-CG1 3.57Å; Y86-I94 HydrophobicContact CE2-CD1 3.62Å; Y86-I94 HydrophobicContact CE2-CG1 4.22Å; Y86-I94 HydrophobicContact CG-CG1 4.41Å
87	D	89.7	Confident	87.6	Confident	92 Å²	92	57 Å²	57	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-30.6	-180	-65.8	-25.4	0	0	0	111.9	Y27 R83 K84	Y27-D87 WeakPolarHBondContact CE2-OD1 3.46Å; Y27-D87 PolarHBondContact OH-OD1 3.46Å; Y27-D87 PolarHBondContact OH-OD2 3.33Å; R83-D87 PolarHBondContact O-N 2.78Å; K84-D87 PolarHBondContact O-N 2.87Å
88	R	86.8	Confident	87.2	Confident	158 Å²	158	61.3 Å²	61.3	60%	0.596	30%	0.297	S	S	*	.	H	α-helix	trans	-87.6	-39.8	-179.7	-171.6	179.8	-68.8	179.1	-0.7	114.3	K84 L85 Y86	K84-R88 WeakPolarHBondContact O-CB 2.91Å; K84-R88 PolarHBondContact O-N 2.99Å; L85-R88 PolarHBondContact O-N 3.24Å; Y86-R88 VanDerWaalsContact C-N 3.25Å; Y86-R88 PolarHBondContact O-N 3.34Å
89	Y	86	Confident	86.8	Confident	63 Å²	63	65.6 Å²	65.6	25%	0.247	31%	0.311	C	S	.	.	H	α-helix	trans	-118.2	-4.7	-171.4	-61	-83.8	0	0	0	114.1	L85 A91 L109	L85-Y89 HydrophobicContact CD1-CD2 3.26Å; L85-Y89 HydrophobicContact CD1-CE2 3.45Å; L85-Y89 VanDerWaalsContact CD1-CE2 3.45Å; L85-Y89 HydrophobicContact CD1-CG 4.35Å; L85-Y89 HydrophobicContact CG-CD2 4.08Å; L85-Y89 PolarHBondContact O-N 2.83Å; Y89-A91 PolarHBondContact O-N 3.27Å; Y89-L109 HydrophobicContact CE2-CD1 3.61Å; Y89-L109 VanDerWaalsContact OH-CD1 3.26Å; Y89-L109 WeakPolarHBondContact OH-CD1 3.07Å
90	G	87.8	Confident	86	Confident	13 Å²	13	65.5 Å²	65.5	13%	0.134	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-132.9	-177.1	0	0	0	0	0	112.5	Y86 L92 G93 I94	Y86-G90 WeakPolarHBondContact O-CA 3.48Å; Y86-G90 PolarHBondContact O-N 3.03Å; G90-L92 VanDerWaalsContact C-N 3.31Å; G90-L92 PolarHBondContact O-N 3.16Å; G90-G93 PolarHBondContact O-N 2.9Å; G90-G93 VanDerWaalsContact O-N 3.09Å; G90-I94 PolarHBondContact O-N 3.01Å
91	A	86.1	Confident	85.1	Confident	49 Å²	49	65.3 Å²	65.3	41%	0.405	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-37	-177	0	0	0	0	0	113.3	Y89 G93 I94 Y95	Y89-A91 PolarHBondContact O-N 3.27Å; A91-G93 VanDerWaalsContact C-N 3.26Å; A91-G93 PolarHBondContact O-N 2.88Å; A91-I94 WeakPolarHBondContact O-CB 3.31Å; A91-I94 PolarHBondContact O-N 3.27Å; A91-I94 VanDerWaalsContact O-N 3.12Å; A91-Y95 PolarHBondContact O-N 3.1Å
92	L	85.4	Confident	84.1	Confident	109 Å²	109	64.7 Å²	64.7	57%	0.571	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-39.2	175.8	179.8	64.6	0	0	0	111.3	G90 I94 Y95 V96	G90-L92 VanDerWaalsContact C-N 3.31Å; G90-L92 PolarHBondContact O-N 3.16Å; L92-I94 VanDerWaalsContact C-N 3.28Å; L92-I94 PolarHBondContact O-N 3.22Å; L92-Y95 PolarHBondContact O-N 2.87Å; L92-V96 WeakPolarHBondContact O-CG2 3.46Å; L92-V96 PolarHBondContact O-N 3.27Å
93	G	85.5	Confident	83.1	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-62.4	-36.7	176.2	0	0	0	0	0	112.7	L85 G90 A91 A97	L85-G93 WeakPolarHBondContact CD2-O 3.27Å; G90-G93 PolarHBondContact O-N 2.9Å; G90-G93 VanDerWaalsContact O-N 3.09Å; A91-G93 VanDerWaalsContact C-N 3.26Å; A91-G93 PolarHBondContact O-N 2.88Å; G93-A97 VanDerWaalsContact O-CB 3.31Å; G93-A97 WeakPolarHBondContact O-CB 3.33Å; G93-A97 PolarHBondContact O-N 2.95Å
94	I	86.7	Confident	81.9	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-47.4	175.1	-55.9	172.4	0	0	0	110.5	L26 I76 Y86 G90 A91 L92 V96 A97 E98	L26-I94 HydrophobicContact CD1-CD1 3.92Å; L26-I94 HydrophobicContact CD1-CG1 4.47Å; L26-I94 HydrophobicContact CD2-CD1 4.21Å; L26-I94 HydrophobicContact CG-CD1 4.28Å; I76-I94 HydrophobicContact CD1-CB 4.33Å; I76-I94 HydrophobicContact CD1-CD1 4.02Å; I76-I94 HydrophobicContact CD1-CG1 4.04Å; I76-I94 HydrophobicContact CD1-CG2 3.38Å; I76-I94 HydrophobicContact CG1-CG2 4.15Å; I76-I94 HydrophobicContact CG2-CG1 4.46Å; Y86-I94 HydrophobicContact CD2-CD1 3.51Å; Y86-I94 HydrophobicContact CD2-CG1 3.57Å; Y86-I94 HydrophobicContact CE2-CD1 3.62Å; Y86-I94 HydrophobicContact CE2-CG1 4.22Å; Y86-I94 HydrophobicContact CG-CG1 4.41Å; G90-I94 PolarHBondContact O-N 3.01Å; A91-I94 WeakPolarHBondContact O-CB 3.31Å; A91-I94 PolarHBondContact O-N 3.27Å; A91-I94 VanDerWaalsContact O-N 3.12Å; L92-I94 VanDerWaalsContact C-N 3.28Å; L92-I94 PolarHBondContact O-N 3.22Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 3.11Å; I94-A97 CarbonylContact O-C 3.56Å; I94-A97 PolarHBondContact O-N 3.41Å; I94-A97 VanDerWaalsContact O-N 3.1Å; I94-E98 HydrophobicContact CG2-CG 4.17Å; I94-E98 WeakPolarHBondContact O-CG 3.09Å; I94-E98 PolarHBondContact O-N 2.98Å
95	Y	85.8	Confident	80.9	Confident	135 Å²	135	67.7 Å²	67.7	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-55.8	-46.5	179.3	175	-97	0	0	0	111.4	A91 L92 E98 H99	A91-Y95 PolarHBondContact O-N 3.1Å; L92-Y95 PolarHBondContact O-N 2.87Å; Y95-E98 PolarHBondContact O-N 3.12Å; Y95-H99 AromaticContact CD2-CE1 3.48Å; Y95-H99 VanDerWaalsContact CD2-CE1 3.48Å; Y95-H99 WeakPolarHBondContact CD2-CE1 3.24Å; Y95-H99 AromaticContact CD2-ND1 3.6Å; Y95-H99 AromaticContact CE2-CE1 3.24Å; Y95-H99 WeakPolarHBondContact CE2-CE1 3.48Å; Y95-H99 AromaticContact CE2-ND1 3.53Å; Y95-H99 AromaticContact CE2-NE2 3.74Å; Y95-H99 AromaticContact CZ-ND1 3.95Å; Y95-H99 PolarHBondContact O-N 3.34Å; Y95-H99 PolarHBondContact O-ND1 3.24Å
96	V	84.4	Confident	80	Confident	34 Å²	34	71 Å²	71	21%	0.206	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-47	175.3	169.9	0	0	0	0	111.2	L85 L92 I94 E98 H99 I100 W105	L85-V96 HydrophobicContact CD2-CB 4.16Å; L85-V96 HydrophobicContact CD2-CG1 3.97Å; L92-V96 WeakPolarHBondContact O-CG2 3.46Å; L92-V96 PolarHBondContact O-N 3.27Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 3.11Å; V96-E98 PolarHBondContact O-N 3.06Å; V96-H99 PolarHBondContact O-N 3.35Å; V96-I100 HydrophobicContact CG1-CB 4.39Å; V96-I100 HydrophobicContact CG1-CD1 3.95Å; V96-I100 HydrophobicContact CG1-CG1 4.29Å; V96-I100 WeakPolarHBondContact O-CB 3.42Å; V96-I100 PolarHBondContact O-N 2.88Å; V96-W105 HydrophobicContact CG1-CB 4.24Å; V96-W105 HydrophobicContact CG1-CG 4.47Å
97	A	81.5	Confident	79.1	Confident	5 Å²	5	74 Å²	74	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-68.4	-14.8	179.9	0	0	0	0	0	115.2	K82 L85 G93 I94	K82-A97 HydrophobicContact CB-CB 4.34Å; K82-A97 HydrophobicContact CD-CB 3.98Å; K82-A97 HydrophobicContact CG-CB 3.9Å; K82-A97 PolarHBondContact NZ-O 3.03Å; L85-A97 HydrophobicContact CD2-CB 4.09Å; G93-A97 VanDerWaalsContact O-CB 3.31Å; G93-A97 WeakPolarHBondContact O-CB 3.33Å; G93-A97 PolarHBondContact O-N 2.95Å; I94-A97 CarbonylContact O-C 3.56Å; I94-A97 PolarHBondContact O-N 3.41Å; I94-A97 VanDerWaalsContact O-N 3.1Å
98	E	83.3	Confident	78	Confident	95 Å²	95	78 Å²	78	44%	0.444	38%	0.375	S	S	.	.	H	α-helix	trans	-92.6	-29.8	176.4	-75.2	177	158.3	0	0	112.4	R72 I94 Y95 V96	R72-E98 IonicContact CZ-OE1 3.85Å; R72-E98 VanDerWaalsContact CZ-OE1 3.31Å; R72-E98 IonicContact CZ-OE2 2.68Å; R72-E98 IonicContact NE-OE1 3.96Å; R72-E98 PolarHBondContact NE-OE1 2.95Å; R72-E98 IonicContact NE-OE2 3.04Å; R72-E98 VanDerWaalsContact NH2-CD 3.33Å; R72-E98 IonicContact NH2-OE1 2.8Å; R72-E98 PolarHBondContact NH2-OE1 3.05Å; R72-E98 IonicContact NH2-OE2 2.87Å; R72-E98 PolarHBondContact NH2-OE2 2.87Å; I94-E98 HydrophobicContact CG2-CG 4.17Å; I94-E98 WeakPolarHBondContact O-CG 3.09Å; I94-E98 PolarHBondContact O-N 2.98Å; Y95-E98 PolarHBondContact O-N 3.12Å; V96-E98 PolarHBondContact O-N 3.06Å
99	H	82.6	Confident	77.1	Confident	121 Å²	121	72.6 Å²	72.6	56%	0.56	36%	0.358	S	S	*	.	H	α-helix	trans	-105.2	-23.4	-176.1	-65.3	77.7	0	0	0	114.2	Y95 V96	Y95-H99 AromaticContact CD2-CE1 3.48Å; Y95-H99 VanDerWaalsContact CD2-CE1 3.48Å; Y95-H99 WeakPolarHBondContact CD2-CE1 3.24Å; Y95-H99 AromaticContact CD2-ND1 3.6Å; Y95-H99 AromaticContact CE2-CE1 3.24Å; Y95-H99 WeakPolarHBondContact CE2-CE1 3.48Å; Y95-H99 AromaticContact CE2-ND1 3.53Å; Y95-H99 AromaticContact CE2-NE2 3.74Å; Y95-H99 AromaticContact CZ-ND1 3.95Å; Y95-H99 PolarHBondContact O-N 3.34Å; Y95-H99 PolarHBondContact O-ND1 3.24Å; V96-H99 PolarHBondContact O-N 3.35Å
100	I	74.7	Confident	76.1	Confident	65 Å²	65	71.6 Å²	71.6	33%	0.333	36%	0.362	S	S	.	.	S	Bend	trans	-110.2	122.2	-177.2	-50.3	-169	0	0	0	108.2	V96 D104 W105	V96-I100 HydrophobicContact CG1-CB 4.39Å; V96-I100 HydrophobicContact CG1-CD1 3.95Å; V96-I100 HydrophobicContact CG1-CG1 4.29Å; V96-I100 WeakPolarHBondContact O-CB 3.42Å; V96-I100 PolarHBondContact O-N 2.88Å; I100-D104 HydrophobicContact CG2-CB 3.63Å; I100-W105 HydrophobicContact CB-CB 4.47Å; I100-W105 HydrophobicContact CG2-CB 3.88Å
101	D	70	Confident	75	Confident	123 Å²	123	75.7 Å²	75.7	66%	0.658	38%	0.381	S	S	*	.			trans	-58.3	147.9	175.7	-75	-58.2	0	0	0	110.8	E103 D104	D101-E103 PolarHBondContact O-N 2.77Å; D101-D104 PolarHBondContact O-N 2.96Å
102	E	66.4	Low	74.1	Confident	61 Å²	61	81.4 Å²	81.4	29%	0.285	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19	-169.5	-68	-173.6	-179.6	0	0	113.6	N79 Q81 K82 K106	N79-E102 PolarHBondContact ND2-OE1 3.17Å; Q81-E102 PolarHBondContact OE1-OE2 3.3Å; K82-E102 WeakPolarHBondContact CE-OE1 3.07Å; E102-K106 WeakPolarHBondContact O-CD 3.39Å; E102-K106 WeakPolarHBondContact O-CE 3.18Å; E102-K106 VanDerWaalsContact O-CG 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.29Å; E102-K106 PolarHBondContact O-NZ 2.69Å; E102-K106 VanDerWaalsContact O-NZ 3.11Å
103	E	66.8	Low	73.5	Confident	159 Å²	159	79.9 Å²	79.9	74%	0.743	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-33.7	179.8	-60.4	-169	171.4	0	0	112.4	D101 P107	D101-E103 PolarHBondContact O-N 2.77Å; E103-P107 WeakPolarHBondContact O-CD 3.35Å
104	D	66.6	Low	72.8	Confident	90 Å²	90	84.2 Å²	84.2	48%	0.481	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-39.4	-171	-67.8	-31.6	0	0	0	112.5	I100 D101 P107 Y108	I100-D104 HydrophobicContact CG2-CB 3.63Å; D101-D104 PolarHBondContact O-N 2.96Å; D104-P107 WeakPolarHBondContact O-CD 2.95Å; D104-P107 WeakPolarHBondContact O-CG 3.21Å; D104-Y108 WeakPolarHBondContact O-CD2 3.08Å; D104-Y108 WeakPolarHBondContact O-CE2 3.4Å
105	W	67	Low	72	Confident	21 Å²	21	88.5 Å²	88.5	8%	0.08	44%	0.441	C	S	.	.	H	α-helix	trans	-80.7	-20.6	-174.9	73.7	-89.1	0	0	0	114.4	Q81 L85 V96 I100 Y108 L109	Q81-W105 HydrophobicContact CB-CH2 4.45Å; Q81-W105 HydrophobicContact CB-CZ2 4Å; L85-W105 HydrophobicContact CB-CH2 3.96Å; L85-W105 HydrophobicContact CB-CZ3 4.29Å; L85-W105 HydrophobicContact CD1-CE3 4.03Å; L85-W105 HydrophobicContact CD1-CH2 4.11Å; L85-W105 HydrophobicContact CD1-CZ3 3.55Å; L85-W105 HydrophobicContact CD2-CD2 4.35Å; L85-W105 HydrophobicContact CD2-CE3 4.2Å; L85-W105 HydrophobicContact CD2-CH2 4.12Å; L85-W105 HydrophobicContact CD2-CZ2 4.28Å; L85-W105 HydrophobicContact CD2-CZ3 4.07Å; L85-W105 HydrophobicContact CG-CH2 4.29Å; L85-W105 HydrophobicContact CG-CZ3 4.18Å; V96-W105 HydrophobicContact CG1-CB 4.24Å; V96-W105 HydrophobicContact CG1-CG 4.47Å; I100-W105 HydrophobicContact CB-CB 4.47Å; I100-W105 HydrophobicContact CG2-CB 3.88Å; W105-Y108 PolarHBondContact O-N 3.28Å; W105-L109 HydrophobicContact CE3-CB 4.07Å; W105-L109 HydrophobicContact CE3-CD1 4.35Å; W105-L109 HydrophobicContact CE3-CD2 4.38Å; W105-L109 HydrophobicContact CE3-CG 4.49Å; W105-L109 HydrophobicContact CZ3-CB 4.21Å; W105-L109 HydrophobicContact CZ3-CD1 4.23Å; W105-L109 HydrophobicContact CZ3-CD2 3.67Å; W105-L109 HydrophobicContact CZ3-CG 4.24Å; W105-L109 PolarHBondContact O-N 3.06Å
106	K	68.5	Low	71.7	Confident	76 Å²	76	84.7 Å²	84.7	33%	0.33	43%	0.432	S	S	.	.	H	α-helix	trans	-55.7	-52.2	176.5	-76.4	167.8	-169.9	155.4	0	112.9	E102 Y108 L109 A110	E102-K106 WeakPolarHBondContact O-CD 3.39Å; E102-K106 WeakPolarHBondContact O-CE 3.18Å; E102-K106 VanDerWaalsContact O-CG 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.29Å; E102-K106 PolarHBondContact O-NZ 2.69Å; E102-K106 VanDerWaalsContact O-NZ 3.11Å; K106-Y108 PolarHBondContact O-N 3.35Å; K106-L109 PolarHBondContact O-N 3.32Å; K106-A110 VanDerWaalsContact O-CB 3.29Å; K106-A110 WeakPolarHBondContact O-CB 3.17Å; K106-A110 PolarHBondContact O-N 2.79Å
107	P	69.9	Low	71.3	Confident	77 Å²	77	88 Å²	88	50%	0.5	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-38.3	177.4	23.9	-34.1	0	0	0	112.2	E103 D104 L109 A110 L111	E103-P107 WeakPolarHBondContact O-CD 3.35Å; D104-P107 WeakPolarHBondContact O-CD 2.95Å; D104-P107 WeakPolarHBondContact O-CG 3.21Å; P107-L109 VanDerWaalsContact C-N 3.31Å; P107-L109 PolarHBondContact O-N 3.33Å; P107-A110 PolarHBondContact O-N 3.09Å; P107-L111 WeakPolarHBondContact O-CB 3.21Å; P107-L111 PolarHBondContact O-N 3.34Å
108	Y	66.4	Low	71	Confident	178 Å²	178	91.6 Å²	91.6	70%	0.698	47%	0.469	S	S	*	.	H	α-helix	trans	-61.9	-38.3	175.8	-68	-66.9	0	0	0	112.4	D104 W105 K106	D104-Y108 WeakPolarHBondContact O-CD2 3.08Å; D104-Y108 WeakPolarHBondContact O-CE2 3.4Å; W105-Y108 PolarHBondContact O-N 3.28Å; K106-Y108 PolarHBondContact O-N 3.35Å
109	L	66.7	Low	71	Confident	44 Å²	44	92 Å²	92	23%	0.23	47%	0.474	C	S	.	.	H	α-helix	trans	-73.9	-37.9	175.9	-154.7	86.1	0	0	0	112.5	L85 Y89 W105 K106 P107 L111 R112	L85-L109 HydrophobicContact CD1-CD1 4.22Å; Y89-L109 HydrophobicContact CE2-CD1 3.61Å; Y89-L109 VanDerWaalsContact OH-CD1 3.26Å; Y89-L109 WeakPolarHBondContact OH-CD1 3.07Å; W105-L109 HydrophobicContact CE3-CB 4.07Å; W105-L109 HydrophobicContact CE3-CD1 4.35Å; W105-L109 HydrophobicContact CE3-CD2 4.38Å; W105-L109 HydrophobicContact CE3-CG 4.49Å; W105-L109 HydrophobicContact CZ3-CB 4.21Å; W105-L109 HydrophobicContact CZ3-CD1 4.23Å; W105-L109 HydrophobicContact CZ3-CD2 3.67Å; W105-L109 HydrophobicContact CZ3-CG 4.24Å; W105-L109 PolarHBondContact O-N 3.06Å; K106-L109 PolarHBondContact O-N 3.32Å; P107-L109 VanDerWaalsContact C-N 3.31Å; P107-L109 PolarHBondContact O-N 3.33Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-R112 PolarHBondContact O-N 2.86Å
110	A	67	Low	70.8	Confident	41 Å²	41	88.3 Å²	88.3	34%	0.339	47%	0.465	S	S	.	.	H	α-helix	trans	-67.2	-33	179.8	0	0	0	0	0	112.3	K106 P107 R112 N113	K106-A110 VanDerWaalsContact O-CB 3.29Å; K106-A110 WeakPolarHBondContact O-CB 3.17Å; K106-A110 PolarHBondContact O-N 2.79Å; P107-A110 PolarHBondContact O-N 3.09Å; A110-R112 PolarHBondContact O-N 3.35Å; A110-N113 WeakPolarHBondContact O-CB 3.26Å; A110-N113 PolarHBondContact O-N 3.48Å; A110-N113 PolarHBondContact O-ND2 3.5Å
111	L	63.9	Low	71	Confident	99 Å²	99	88.9 Å²	88.9	52%	0.518	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.9	177.1	-170.9	56.8	0	0	0	113.2	P107 L109 N113 V116 Q117	P107-L111 WeakPolarHBondContact O-CB 3.21Å; P107-L111 PolarHBondContact O-N 3.34Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L111-N113 VanDerWaalsContact C-N 3.28Å; L111-V116 HydrophobicContact CD1-CG1 3.76Å; L111-Q117 WeakPolarHBondContact O-CG 3.22Å
112	R	66.5	Low	71.5	Confident	170 Å²	170	86.3 Å²	86.3	64%	0.642	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-0.9	172	-171.4	169.1	162.3	174.3	-3.4	113	L109 A110	L109-R112 PolarHBondContact O-N 2.86Å; A110-R112 PolarHBondContact O-N 3.35Å
113	N	72.2	Confident	72	Confident	76 Å²	76	86 Å²	86	41%	0.406	47%	0.466	S	S	.	.	S	Bend	trans	-69.6	129.3	171.2	-73.2	-22.4	0	0	0	109.5	A110 L111 C115 V116 Q117	A110-N113 WeakPolarHBondContact O-CB 3.26Å; A110-N113 PolarHBondContact O-N 3.48Å; A110-N113 PolarHBondContact O-ND2 3.5Å; L111-N113 VanDerWaalsContact C-N 3.28Å; N113-C115 PolarHBondContact O-N 2.92Å; N113-C115 VanDerWaalsContact O-N 3.1Å; N113-V116 HydrophobicContact CB-CB 4.45Å; N113-V116 HydrophobicContact CB-CG2 4.09Å; N113-V116 PolarHBondContact O-N 3.38Å; N113-Q117 PolarHBondContact O-N 2.88Å
114	P	71.3	Confident	72.5	Confident	92 Å²	92	85.2 Å²	85.2	60%	0.597	46%	0.461	S	S	*	.	H	α-helix	trans	-59.7	-29.6	-177.5	23.4	-33.5	0	0	0	112	Q117 C118	P114-Q117 PolarHBondContact O-N 3.3Å; P114-C118 WeakPolarHBondContact O-CB 3.16Å; P114-C118 PolarHBondContact O-N 3.27Å; P114-C118 PolarHBondContact O-SG 2.84Å
115	C	70.7	Confident	73.1	Confident	96 Å²	96	86.8 Å²	86.8	65%	0.649	47%	0.468	S	S	*	.	H	α-helix	trans	-66.4	-40	175	-170.5	0	0	0	0	112.7	N113 C118 L119	N113-C115 PolarHBondContact O-N 2.92Å; N113-C115 VanDerWaalsContact O-N 3.1Å; C115-C118 PolarHBondContact O-N 3.3Å; C115-L119 WeakPolarHBondContact O-CB 3.43Å; C115-L119 PolarHBondContact O-N 3.02Å
116	V	78.3	Confident	73.7	Confident	56 Å²	56	91.3 Å²	91.3	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-72.6	-36.6	176.6	-178.1	0	0	0	0	110.1	L111 N113 L119 A120	L111-V116 HydrophobicContact CD1-CG1 3.76Å; N113-V116 HydrophobicContact CB-CB 4.45Å; N113-V116 HydrophobicContact CB-CG2 4.09Å; N113-V116 PolarHBondContact O-N 3.38Å; V116-L119 PolarHBondContact O-N 3.23Å; V116-A120 WeakPolarHBondContact O-CB 3.24Å; V116-A120 PolarHBondContact O-N 3.5Å
117	Q	76.4	Confident	73.9	Confident	104 Å²	104	91.7 Å²	91.7	49%	0.486	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-43.5	171.8	-67.4	-175.4	-65.1	0	0	111.6	L111 N113 P114 A120 C121	L111-Q117 WeakPolarHBondContact O-CG 3.22Å; N113-Q117 PolarHBondContact O-N 2.88Å; P114-Q117 PolarHBondContact O-N 3.3Å; Q117-A120 PolarHBondContact O-N 2.94Å; Q117-C121 VanDerWaalsContact O-CB 3.24Å; Q117-C121 WeakPolarHBondContact O-CB 3.38Å; Q117-C121 PolarHBondContact O-N 3.43Å; Q117-C121 PolarHBondContact O-SG 2.95Å
118	C	76.6	Confident	73.8	Confident	79 Å²	79	89.8 Å²	89.8	53%	0.534	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-47.8	173.9	-73.9	0	0	0	0	111.2	P114 C115 C121 T122	P114-C118 WeakPolarHBondContact O-CB 3.16Å; P114-C118 PolarHBondContact O-N 3.27Å; P114-C118 PolarHBondContact O-SG 2.84Å; C115-C118 PolarHBondContact O-N 3.3Å; C118-C121 PolarHBondContact O-N 3.25Å; C118-T122 WeakPolarHBondContact O-CB 3.34Å; C118-T122 VanDerWaalsContact O-CG2 3.3Å; C118-T122 WeakPolarHBondContact O-CG2 3.3Å; C118-T122 PolarHBondContact O-N 3.28Å; C118-T122 PolarHBondContact O-OG1 3.39Å; C118-T122 VanDerWaalsContact O-OG1 3.11Å
119	L	82.2	Confident	73.8	Confident	103 Å²	103	84.4 Å²	84.4	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-48.6	177.5	-172.7	151.6	0	0	0	110.6	C115 V116 C121 T122 C123	C115-L119 WeakPolarHBondContact O-CB 3.43Å; C115-L119 PolarHBondContact O-N 3.02Å; V116-L119 PolarHBondContact O-N 3.23Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.08Å; L119-T122 WeakPolarHBondContact CA-OG1 3.24Å; L119-T122 PolarHBondContact O-N 2.78Å; L119-T122 PolarHBondContact O-OG1 2.77Å; L119-C123 VanDerWaalsContact CD2-SG 3.59Å; L119-C123 VanDerWaalsContact O-CB 3.24Å; L119-C123 WeakPolarHBondContact O-CB 3.49Å; L119-C123 PolarHBondContact O-N 2.84Å; L119-C123 PolarHBondContact O-SG 2.99Å
120	A	79.4	Confident	73.7	Confident	45 Å²	45	86.4 Å²	86.4	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-60.2	-41.7	177.5	0	0	0	0	0	111.8	V116 Q117 F124	V116-A120 WeakPolarHBondContact O-CB 3.24Å; V116-A120 PolarHBondContact O-N 3.5Å; Q117-A120 PolarHBondContact O-N 2.94Å; A120-F124 WeakPolarHBondContact O-CB 3.35Å; A120-F124 PolarHBondContact O-N 2.86Å
121	C	78.2	Confident	73.6	Confident	77 Å²	77	87.9 Å²	87.9	52%	0.52	50%	0.502	S	S	.	.	H	α-helix	trans	-66	-44.4	174.4	-73.5	0	0	0	0	111.9	Q117 C118 L119 F124 L125	Q117-C121 VanDerWaalsContact O-CB 3.24Å; Q117-C121 WeakPolarHBondContact O-CB 3.38Å; Q117-C121 PolarHBondContact O-N 3.43Å; Q117-C121 PolarHBondContact O-SG 2.95Å; C118-C121 PolarHBondContact O-N 3.25Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.08Å; C121-F124 PolarHBondContact O-N 3.1Å; C121-L125 WeakPolarHBondContact O-CB 3.28Å; C121-L125 WeakPolarHBondContact O-CG 3.38Å; C121-L125 PolarHBondContact O-N 2.99Å
122	T	81.1	Confident	73.4	Confident	69 Å²	69	90 Å²	90	42%	0.423	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-38.8	177.5	56.4	0	0	0	0	111.8	C118 L119 L125 L126	C118-T122 WeakPolarHBondContact O-CB 3.34Å; C118-T122 VanDerWaalsContact O-CG2 3.3Å; C118-T122 WeakPolarHBondContact O-CG2 3.3Å; C118-T122 PolarHBondContact O-N 3.28Å; C118-T122 PolarHBondContact O-OG1 3.39Å; C118-T122 VanDerWaalsContact O-OG1 3.11Å; L119-T122 WeakPolarHBondContact CA-OG1 3.24Å; L119-T122 PolarHBondContact O-N 2.78Å; L119-T122 PolarHBondContact O-OG1 2.77Å; T122-L125 PolarHBondContact O-N 2.99Å; T122-L126 WeakPolarHBondContact O-CB 3.43Å; T122-L126 WeakPolarHBondContact O-CD1 3.21Å; T122-L126 WeakPolarHBondContact O-CG 3.19Å; T122-L126 PolarHBondContact O-N 2.77Å
123	C	76	Confident	73.2	Confident	54 Å²	54	87.8 Å²	87.8	37%	0.365	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-46.8	174.6	-72.4	0	0	0	0	109.7	L119 L125 L126 T127	L119-C123 VanDerWaalsContact CD2-SG 3.59Å; L119-C123 VanDerWaalsContact O-CB 3.24Å; L119-C123 WeakPolarHBondContact O-CB 3.49Å; L119-C123 PolarHBondContact O-N 2.84Å; L119-C123 PolarHBondContact O-SG 2.99Å; C123-L125 VanDerWaalsContact C-N 3.34Å; C123-L125 PolarHBondContact O-N 3.01Å; C123-L126 PolarHBondContact O-N 3.17Å; C123-T127 VanDerWaalsContact O-CB 3.32Å; C123-T127 WeakPolarHBondContact O-CB 3.33Å; C123-T127 VanDerWaalsContact O-CG2 3.28Å; C123-T127 WeakPolarHBondContact O-CG2 3.22Å; C123-T127 PolarHBondContact O-N 2.78Å; C123-T127 PolarHBondContact O-OG1 3.31Å
124	F	77.9	Confident	72.7	Confident	142 Å²	142	87.9 Å²	87.9	62%	0.623	51%	0.513	S	S	*	.	H	α-helix	trans	-59.4	-44.6	174.9	-166.6	-95.3	0	0	0	110.7	A120 C121 C128	A120-F124 WeakPolarHBondContact O-CB 3.35Å; A120-F124 PolarHBondContact O-N 2.86Å; C121-F124 PolarHBondContact O-N 3.1Å; F124-C128 HydrophobicContact CD1-CB 4.44Å; F124-C128 HydrophobicContact CE1-CB 4.48Å; F124-C128 WeakPolarHBondContact O-CA 3.19Å; F124-C128 WeakPolarHBondContact O-CB 3.24Å; F124-C128 PolarHBondContact O-N 3.4Å
125	L	79.7	Confident	72.1	Confident	123 Å²	123	86.6 Å²	86.6	64%	0.644	51%	0.506	S	S	*	.	H	α-helix	trans	-66.3	-41.2	177	-71	174.8	0	0	0	112.8	C121 T122 C123 C129	C121-L125 WeakPolarHBondContact O-CB 3.28Å; C121-L125 WeakPolarHBondContact O-CG 3.38Å; C121-L125 PolarHBondContact O-N 2.99Å; T122-L125 PolarHBondContact O-N 2.99Å; C123-L125 VanDerWaalsContact C-N 3.34Å; C123-L125 PolarHBondContact O-N 3.01Å; L125-C129 WeakPolarHBondContact O-CB 3.49Å; L125-C129 PolarHBondContact O-N 3.19Å
126	L	78	Confident	71.5	Confident	116 Å²	116	87 Å²	87	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-74.2	-47.1	-179.5	-73	164.6	0	0	0	111.9	T122 C123 C129 C130	T122-L126 WeakPolarHBondContact O-CB 3.43Å; T122-L126 WeakPolarHBondContact O-CD1 3.21Å; T122-L126 WeakPolarHBondContact O-CG 3.19Å; T122-L126 PolarHBondContact O-N 2.77Å; C123-L126 PolarHBondContact O-N 3.17Å; L126-C129 PolarHBondContact O-N 3.03Å; L126-C130 WeakPolarHBondContact O-CB 3.36Å; L126-C130 PolarHBondContact O-N 3.29Å; L126-C130 PolarHBondContact O-SG 3.24Å
127	T	73.5	Confident	70.4	Confident	85 Å²	85	94.5 Å²	94.5	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-72.9	-38.3	179.7	65.8	0	0	0	0	111.7	C123 C130 C131	C123-T127 VanDerWaalsContact O-CB 3.32Å; C123-T127 WeakPolarHBondContact O-CB 3.33Å; C123-T127 VanDerWaalsContact O-CG2 3.28Å; C123-T127 WeakPolarHBondContact O-CG2 3.22Å; C123-T127 PolarHBondContact O-N 2.78Å; C123-T127 PolarHBondContact O-OG1 3.31Å; T127-C130 PolarHBondContact O-N 3.43Å; T127-C131 WeakPolarHBondContact O-CB 3.35Å; T127-C131 PolarHBondContact O-N 3.11Å; T127-C131 PolarHBondContact O-SG 3.41Å
128	C	68.5	Low	69.3	Low	36 Å²	36	93.8 Å²	93.8	24%	0.243	54%	0.538	C	S	.	.	H	α-helix	trans	-68.5	-36.6	173.3	-166.3	0	0	0	0	110.9	F124 C131 F132	F124-C128 HydrophobicContact CD1-CB 4.44Å; F124-C128 HydrophobicContact CE1-CB 4.48Å; F124-C128 WeakPolarHBondContact O-CA 3.19Å; F124-C128 WeakPolarHBondContact O-CB 3.24Å; F124-C128 PolarHBondContact O-N 3.4Å; C128-C131 PolarHBondContact O-N 2.74Å; C128-F132 WeakPolarHBondContact O-CB 2.9Å; C128-F132 WeakPolarHBondContact O-CD2 3.05Å; C128-F132 PolarHBondContact O-N 2.81Å; C128-F132 WeakPolarHBondContact SG-CD2 3.49Å; C128-F132 WeakPolarHBondContact SG-CE2 3.37Å
129	C	65.8	Low	68.2	Low	65 Å²	65	93.9 Å²	93.9	44%	0.439	54%	0.538	S	S	.	.	H	α-helix	trans	-65	-41.8	173.6	-173.9	0	0	0	0	111.9	L125 L126 L133	L125-C129 WeakPolarHBondContact O-CB 3.49Å; L125-C129 PolarHBondContact O-N 3.19Å; L126-C129 PolarHBondContact O-N 3.03Å; C129-L133 WeakPolarHBondContact O-CB 3.32Å; C129-L133 WeakPolarHBondContact O-CG 2.75Å; C129-L133 PolarHBondContact O-N 2.8Å; C129-L133 VanDerWaalsContact O-N 3.09Å
130	C	64.7	Low	66.9	Low	87 Å²	87	92.6 Å²	92.6	59%	0.588	55%	0.55	S	S	*	*	H	α-helix	trans	-66.9	-35.2	174.4	-63.9	0	0	0	0	112.6	L126 T127 C134	L126-C130 WeakPolarHBondContact O-CB 3.36Å; L126-C130 PolarHBondContact O-N 3.29Å; L126-C130 PolarHBondContact O-SG 3.24Å; T127-C130 PolarHBondContact O-N 3.43Å; C130-C134 WeakPolarHBondContact O-CB 3.3Å; C130-C134 PolarHBondContact O-N 3.18Å; C130-C134 VanDerWaalsContact O-N 3.14Å
131	C	64.7	Low	65.8	Low	72 Å²	72	96.3 Å²	96.3	49%	0.486	57%	0.568	S	S	.	*	H	α-helix	trans	-79	-38.4	177.7	-68.5	0	0	0	0	113.2	T127 C128 C135	T127-C131 WeakPolarHBondContact O-CB 3.35Å; T127-C131 PolarHBondContact O-N 3.11Å; T127-C131 PolarHBondContact O-SG 3.41Å; C128-C131 PolarHBondContact O-N 2.74Å; C131-C135 WeakPolarHBondContact O-CA 3.34Å; C131-C135 WeakPolarHBondContact O-CB 3.32Å; C131-C135 PolarHBondContact O-N 2.84Å; C131-C135 PolarHBondContact O-SG 3.21Å
132	F	59.8	Low	64.6	Low	142 Å²	142	99.7 Å²	99.7	62%	0.623	58%	0.581	S	S	*	*	H	α-helix	trans	-71.6	-36.7	177.5	-93.2	-99.5	0	0	0	112.2	C128 C136	C128-F132 WeakPolarHBondContact O-CB 2.9Å; C128-F132 WeakPolarHBondContact O-CD2 3.05Å; C128-F132 PolarHBondContact O-N 2.81Å; C128-F132 WeakPolarHBondContact SG-CD2 3.49Å; C128-F132 WeakPolarHBondContact SG-CE2 3.37Å; F132-C136 VanDerWaalsContact O-CB 3.29Å; F132-C136 WeakPolarHBondContact O-CB 2.99Å; F132-C136 PolarHBondContact O-N 2.78Å; F132-C136 PolarHBondContact O-SG 3.44Å
133	L	62.7	Low	63.3	Low	125 Å²	125	106.8 Å²	106.8	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-76.5	-31	176	-66.6	172.2	0	0	0	112.5	C129	C129-L133 WeakPolarHBondContact O-CB 3.32Å; C129-L133 WeakPolarHBondContact O-CG 2.75Å; C129-L133 PolarHBondContact O-N 2.8Å; C129-L133 VanDerWaalsContact O-N 3.09Å
134	C	60.5	Low	62.3	Low	78 Å²	78	109.1 Å²	109.1	53%	0.527	62%	0.616	S	S	.	*	H	α-helix	trans	-85.8	-33.8	178.4	-158.6	0	0	0	0	113.3	C130 C138	C130-C134 WeakPolarHBondContact O-CB 3.3Å; C130-C134 PolarHBondContact O-N 3.18Å; C130-C134 VanDerWaalsContact O-N 3.14Å; C134-C138 WeakPolarHBondContact O-CB 3.44Å; C134-C138 PolarHBondContact O-N 2.79Å
135	C	58.8	Low	61.2	Low	65 Å²	65	111.5 Å²	111.5	44%	0.439	63%	0.626	S	S	.	*	H	α-helix	trans	-79.1	-31.6	178.5	-65.5	0	0	0	0	112.8	C131 Y137 C139	C131-C135 WeakPolarHBondContact O-CA 3.34Å; C131-C135 WeakPolarHBondContact O-CB 3.32Å; C131-C135 PolarHBondContact O-N 2.84Å; C131-C135 PolarHBondContact O-SG 3.21Å; C135-Y137 VanDerWaalsContact C-N 3.3Å; C135-Y137 PolarHBondContact O-N 3.41Å; C135-C139 WeakPolarHBondContact O-CB 3.34Å; C135-C139 PolarHBondContact O-N 3.43Å; C135-C139 PolarHBondContact O-SG 2.8Å; C135-C139 VanDerWaalsContact O-SG 3.4Å
136	C	58.1	Low	60.2	Low	105 Å²	105	111.6 Å²	111.6	71%	0.709	63%	0.631	S	S	*	*	H	α-helix	trans	-71.3	-22	176	-71.1	0	0	0	0	113.8	F132	F132-C136 VanDerWaalsContact O-CB 3.29Å; F132-C136 WeakPolarHBondContact O-CB 2.99Å; F132-C136 PolarHBondContact O-N 2.78Å; F132-C136 PolarHBondContact O-SG 3.44Å
137	Y	55.2	Low	59	Low	212 Å²	212	110.8 Å²	110.8	83%	0.831	63%	0.633	S	S	*	*	H	α-helix	trans	-98.2	-18.5	178.5	-131.1	-96	0	0	0	113.7	C135	C135-Y137 VanDerWaalsContact C-N 3.3Å; C135-Y137 PolarHBondContact O-N 3.41Å
138	C	53.6	Low	58	Low	90 Å²	90	112.6 Å²	112.6	61%	0.608	65%	0.647	S	S	*	*	H	α-helix	trans	-113.6	-16.2	-179	-67.2	0	0	0	0	115.5	C134 G140	C134-C138 WeakPolarHBondContact O-CB 3.44Å; C134-C138 PolarHBondContact O-N 2.79Å; C138-G140 PolarHBondContact O-N 3.11Å
139	C	54.8	Low	57.4	Low	80 Å²	80	115.4 Å²	115.4	54%	0.541	66%	0.662	S	S	.	*			trans	-89.9	11	-178	-63.6	0	0	0	0	115.1	C135 T141	C135-C139 WeakPolarHBondContact O-CB 3.34Å; C135-C139 PolarHBondContact O-N 3.43Å; C135-C139 PolarHBondContact O-SG 2.8Å; C135-C139 VanDerWaalsContact O-SG 3.4Å; C139-T141 PolarHBondContact O-N 2.76Å; C139-T141 VanDerWaalsContact O-N 3.16Å
140	G	55	Low	56.6	Low	77 Å²	77	117.2 Å²	117.2	79%	0.794	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	2	179.6	0	0	0	0	0	116.4	C138	C138-G140 PolarHBondContact O-N 3.11Å
141	T	55.8	Low	56.1	Low	122 Å²	122	121.1 Å²	121.1	75%	0.748	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	2.6	-173.1	52.7	0	0	0	0	115.9	C139	C139-T141 PolarHBondContact O-N 2.76Å; C139-T141 VanDerWaalsContact O-N 3.16Å
142	L	53.2	Low	55.4	Low	149 Å²	149	126.4 Å²	126.4	78%	0.78	71%	0.706	S	S	*	*			trans	-131.3	36.3	-173	-85.3	126.1	0	0	0	114.8	P144	L142-P144 WeakPolarHBondContact O-CD 3.41Å
143	Y	54.1	Low	55	Low	217 Å²	217	126.9 Å²	126.9	85%	0.851	71%	0.712	S	S	*	*			trans	-80	106.5	159.1	-117.6	-86.2	0	0	0	108.5	K145	Y143-K145 PolarHBondContact O-N 2.96Å; Y143-K145 VanDerWaalsContact O-N 3.16Å
144	P	54.3	Low	54.2	Low	103 Å²	103	128.7 Å²	128.7	67%	0.669	72%	0.722	S	S	*	*			trans	-66.8	114.2	154.4	29.5	-29.5	0	0	0	105.8	L142 T146	L142-P144 WeakPolarHBondContact O-CD 3.41Å; P144-T146 VanDerWaalsContact C-N 3.35Å; P144-T146 PolarHBondContact O-N 3.44Å
145	K	53.8	Low	53.9	Low	193 Å²	193	133.4 Å²	133.4	84%	0.839	74%	0.736	S	S	*	*			trans	-53.3	103.6	163.2	-82.3	173.8	175.6	167.8	0	106.8	Y143 P147	Y143-K145 PolarHBondContact O-N 2.96Å; Y143-K145 VanDerWaalsContact O-N 3.16Å; K145-P147 WeakPolarHBondContact O-CD 3.04Å
146	T	58.8	Low	53.5	Low	124 Å²	124	133.3 Å²	133.3	76%	0.761	74%	0.741	S	S	*	*			trans	-67.8	120.3	162.2	47.1	0	0	0	0	106.3	P144	P144-T146 VanDerWaalsContact C-N 3.35Å; P144-T146 PolarHBondContact O-N 3.44Å
147	P	52.9	Low	53.2	Low	99 Å²	99	139.6 Å²	139.6	64%	0.643	75%	0.751	S	S	*	*			trans	-63.5	158	179.8	27.8	-33.2	0	0	0	109.9	K145 V149	K145-P147 WeakPolarHBondContact O-CD 3.04Å; P147-V149 PolarHBondContact O-N 2.86Å
148	P	53.6	Low	53.4	Low	124 Å²	124	137 Å²	137	81%	0.805	75%	0.751	S	S	*	*			trans	-60.4	115.8	179.6	26.8	-33.3	0	0	0	108.4	P150	P148-P150 WeakPolarHBondContact O-CD 3.29Å
149	V	55.1	Low	53.8	Low	95 Å²	95	139.2 Å²	139.2	58%	0.576	75%	0.753	S	S	*	*			trans	-75	120	168.9	-156.1	0	0	0	0	105.6	P147 M153	P147-V149 PolarHBondContact O-N 2.86Å; V149-M153 HydrophobicContact CG1-CE 4.1Å; V149-M153 HydrophobicContact CG1-CG 4.34Å; V149-M153 HydrophobicContact CG1-SD 3.94Å
150	P	49.4	Very low	54	Low	103 Å²	103	141 Å²	141	67%	0.669	76%	0.764	S	S	*	*			trans	-59.7	154.7	169.8	-15.7	29.9	0	0	0	109.5	P148 E152	P148-P150 WeakPolarHBondContact O-CD 3.29Å; P150-E152 PolarHBondContact O-N 2.79Å
151	D	54.6	Low	54.1	Low	168 Å²	168	143.7 Å²	143.7	90%	0.898	76%	0.755	S	S	*	*	S	Bend	trans	-64.9	62.8	-178.7	-53.3	-59.8	0	0	0	112.8
152	E	48.7	Very low	53.9	Low	183 Å²	183	146.7 Å²	146.7	86%	0.855	76%	0.758	S	S	*	*			trans	-170.8	91	176.2	-119.5	178.3	149.7	0	0	112.1	P150	P150-E152 PolarHBondContact O-N 2.79Å
153	M	53.1	Low	53.8	Low	153 Å²	153	147 Å²	147	75%	0.754	76%	0.756	S	S	*	*			trans	-157.2	83	152.5	46.6	178.3	48.9	0	0	111.1	V149 E155	V149-M153 HydrophobicContact CG1-CE 4.1Å; V149-M153 HydrophobicContact CG1-CG 4.34Å; V149-M153 HydrophobicContact CG1-SD 3.94Å; M153-E155 PolarHBondContact O-N 3.29Å
154	N	44.1	Very low	53.8	Low	162 Å²	162	142.4 Å²	142.4	87%	0.866	74%	0.744	S	S	*	*			trans	-68.6	108.1	155.8	-177.1	30.9	0	0	0	108.2
155	E	55.5	Low	53.8	Low	177 Å²	177	142.9 Å²	142.9	83%	0.827	75%	0.747	S	S	*	*			trans	-142.9	94.2	165.6	-156.2	91.7	-135.2	0	0	110.3	M153	M153-E155 PolarHBondContact O-N 3.29Å
156	A	48.9	Very low	53.7	Low	64 Å²	64	142.3 Å²	142.3	53%	0.529	75%	0.75	S	S	.	*			trans	50.6	86.3	137.7	0	0	0	0	0	119.1
157	Y	52.3	Low	53.4	Low	237 Å²	237	142.1 Å²	142.1	93%	0.929	74%	0.744	S	S	*	*			trans	-124.1	96.9	131.8	-91.7	-91.8	0	0	0	107	E159	Y157-E159 PolarHBondContact O-N 3.43Å
158	D	58.9	Low	52.7	Low	156 Å²	156	144 Å²	144	83%	0.834	75%	0.749	S	S	*	*			trans	-61	101.5	169.3	-78.3	-61.6	0	0	0	108.7
159	E	63.8	Low	52.3	Low	138 Å²	138	143.9 Å²	143.9	65%	0.645	74%	0.742	S	S	*	*			trans	-60.2	126.9	158.6	-90.2	-104.3	131.7	0	0	107.7	Y157 H161	Y157-E159 PolarHBondContact O-N 3.43Å; E159-H161 PolarHBondContact O-N 3.22Å
160	P	58.3	Low	51.7	Low	118 Å²	118	145.8 Å²	145.8	77%	0.766	75%	0.749	S	S	*	*			trans	-68.9	85.8	164.5	29.3	-31.6	0	0	0	107.8	F162	P160-F162 VanDerWaalsContact C-N 3.26Å; P160-F162 PolarHBondContact O-N 2.9Å
161	H	56.2	Low	51.1	Low	132 Å²	132	147.5 Å²	147.5	61%	0.611	75%	0.752	S	S	*	*			trans	-60.3	94.3	163.8	-67.4	-62.8	0	0	0	107.4	E159 E163	E159-H161 PolarHBondContact O-N 3.22Å; H161-E163 HydrophobicContact CB-CG 3.96Å; H161-E163 PolarHBondContact O-N 3.42Å
162	F	51.5	Low	50.2	Low	185 Å²	185	146.3 Å²	146.3	81%	0.811	75%	0.746	S	S	*	*			trans	-70.3	80	165.1	-175.4	-100.3	0	0	0	107.3	P160 I164	P160-F162 VanDerWaalsContact C-N 3.26Å; P160-F162 PolarHBondContact O-N 2.9Å; F162-I164 HydrophobicContact CD1-CG1 3.95Å; F162-I164 HydrophobicContact CE1-CD1 4.43Å; F162-I164 HydrophobicContact CE1-CG1 3.7Å; F162-I164 PolarHBondContact O-N 3.09Å
163	E	52.1	Low	49.8	Very low	156 Å²	156	143.4 Å²	143.4	73%	0.729	74%	0.741	S	S	*	*			trans	-72.5	109	173.3	-58.2	-151.1	178.6	0	0	108.2	H161 P165	H161-E163 HydrophobicContact CB-CG 3.96Å; H161-E163 PolarHBondContact O-N 3.42Å; E163-P165 VanDerWaalsContact O-CD 3.24Å; E163-P165 WeakPolarHBondContact O-CD 3.14Å
164	I	54.5	Low	49.6	Very low	120 Å²	120	144.5 Å²	144.5	62%	0.615	74%	0.744	S	S	*	*			trans	-68.7	112.7	166.5	-60.9	169.1	0	0	0	105.7	F162 M166	F162-I164 HydrophobicContact CD1-CG1 3.95Å; F162-I164 HydrophobicContact CE1-CD1 4.43Å; F162-I164 HydrophobicContact CE1-CG1 3.7Å; F162-I164 PolarHBondContact O-N 3.09Å; I164-M166 PolarHBondContact O-N 3.14Å
165	P	54.1	Low	49.9	Very low	113 Å²	113	142.7 Å²	142.7	73%	0.734	74%	0.739	S	S	*	*			trans	-69.3	106.9	-175	26.8	-32	0	0	0	109.9	E163 N167	E163-P165 VanDerWaalsContact O-CD 3.24Å; E163-P165 WeakPolarHBondContact O-CD 3.14Å; P165-N167 PolarHBondContact O-N 2.95Å; P165-N167 VanDerWaalsContact O-N 3.08Å
166	M	50.4	Low	50	Low	182 Å²	182	141.7 Å²	141.7	90%	0.897	74%	0.739	S	S	*	*			trans	-78.8	74.2	162.8	-71.1	-74.9	-176.5	0	0	107.8	I164 N168	I164-M166 PolarHBondContact O-N 3.14Å; M166-N168 PolarHBondContact O-N 3.33Å
167	N	52.9	Low	50.6	Low	119 Å²	119	145.4 Å²	145.4	64%	0.636	75%	0.754	S	S	*	*			trans	-80.3	101.8	175.6	-160	10.8	0	0	0	110.6	P165 D169	P165-N167 PolarHBondContact O-N 2.95Å; P165-N167 VanDerWaalsContact O-N 3.08Å; N167-D169 VanDerWaalsContact C-N 3.32Å; N167-D169 VanDerWaalsContact CG-OD2 3.31Å; N167-D169 PolarHBondContact ND2-OD2 3.17Å; N167-D169 PolarHBondContact O-N 2.77Å; N167-D169 VanDerWaalsContact OD1-CG 3.29Å; N167-D169 PolarHBondContact OD1-OD2 2.81Å
168	N	39.2	Very low	51.1	Low	140 Å²	140	138.8 Å²	138.8	75%	0.749	74%	0.739	S	S	*	*			trans	-81	79.3	163.4	175.5	37.5	0	0	0	108	M166	M166-N168 PolarHBondContact O-N 3.33Å
169	D	44.5	Very low	51.4	Low	120 Å²	120	140.6 Å²	140.6	64%	0.642	74%	0.739	S	S	*	*			trans	-122.6	118	169.2	-85	-32.9	0	0	0	109.7	N167	N167-D169 VanDerWaalsContact C-N 3.32Å; N167-D169 VanDerWaalsContact CG-OD2 3.31Å; N167-D169 PolarHBondContact ND2-OD2 3.17Å; N167-D169 PolarHBondContact O-N 2.77Å; N167-D169 VanDerWaalsContact OD1-CG 3.29Å; N167-D169 PolarHBondContact OD1-OD2 2.81Å
170	N	41.8	Very low	51.5	Low	135 Å²	135	142.6 Å²	142.6	72%	0.722	75%	0.749	S	S	*	*			trans	-54.9	145.6	166.2	-63.7	-54.4	0	0	0	109.8
171	N	37.5	Very low	52.2	Low	139 Å²	139	142.9 Å²	142.9	74%	0.743	75%	0.75	S	S	*	*	S	Bend	trans	94.7	90	174.9	-46.6	-47.1	0	0	0	114.9
172	N	37	Very low	53	Low	144 Å²	144	143 Å²	143	77%	0.77	76%	0.76	S	S	*	*				49.2	120.3	129.3	-46.2	-11.6	0	0	0	117.9
173	T	38.9	Very low	54	Low	122 Å²	122	139.9 Å²	139.9	75%	0.748	76%	0.758	S	S	*	*			trans	91	126.6	152.4	-3.4	0	0	0	0	117.2
174	E	48.7	Very low	54.9	Low	176 Å²	176	136.6 Å²	136.6	82%	0.822	76%	0.758	S	S	*	*			trans	79.5	115.6	154	-54.7	-178.1	132.4	0	0	117.1
175	T	51.2	Low	55.6	Low	123 Å²	123	136.2 Å²	136.2	76%	0.755	76%	0.763	S	S	*	*			cis	-159	117.1	5.8	32.3	0	0	0	0	108.7	V177	T175-V177 PolarHBondContact O-N 3.25Å
176	L	56.9	Low	55.9	Low	157 Å²	157	135.7 Å²	135.7	82%	0.822	77%	0.769	S	S	*	*			trans	-76.5	104.9	172.2	-167.3	78.1	0	0	0	108.6	T178	L176-T178 HydrophobicContact CD2-CG2 4.34Å; L176-T178 WeakPolarHBondContact CD2-OG1 3.36Å; L176-T178 WeakPolarHBondContact CG-OG1 3.43Å; L176-T178 PolarHBondContact O-N 3.46Å; L176-T178 PolarHBondContact O-OG1 3.27Å
177	V	61.7	Low	56.3	Low	141 Å²	141	132.6 Å²	132.6	86%	0.855	76%	0.759	S	S	*	*			trans	-68.7	81.5	174.6	-177.2	0	0	0	0	108.8	T175	T175-V177 PolarHBondContact O-N 3.25Å
178	T	64	Low	56.8	Low	99 Å²	99	131 Å²	131	61%	0.607	76%	0.757	S	S	*	*			trans	-108.2	12.1	-175.4	-28.9	0	0	0	0	112.1	L176	L176-T178 HydrophobicContact CD2-CG2 4.34Å; L176-T178 WeakPolarHBondContact CD2-OG1 3.36Å; L176-T178 WeakPolarHBondContact CG-OG1 3.43Å; L176-T178 PolarHBondContact O-N 3.46Å; L176-T178 PolarHBondContact O-OG1 3.27Å
179	K	65.3	Low	57.8	Low	194 Å²	194	131.6 Å²	131.6	84%	0.843	76%	0.76	S	S	*	*			trans	-107.8	103.9	-177.2	-68	-171.1	177.3	-178.9	0	109.3
180	Q	65.9	Low	58.4	Low	180 Å²	180	135.8 Å²	135.8	84%	0.841	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-54.8	140.6	160.1	-79	-174.7	-44.6	0	0	108.9	V182	Q180-V182 PolarHBondContact O-N 3.29Å
181	P	72.5	Confident	59.3	Low	124 Å²	124	135.5 Å²	135.5	81%	0.805	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.7	129.1	175.2	23	-30.1	0	0	0	109.5
182	V	73.1	Confident	60.6	Low	133 Å²	133	134.8 Å²	134.8	81%	0.806	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-60.8	135.8	170.8	-93.9	0	0	0	0	109	Q180 A184	Q180-V182 PolarHBondContact O-N 3.29Å; V182-A184 PolarHBondContact O-N 3.41Å
183	P	71.3	Confident	62.1	Low	121 Å²	121	132.7 Å²	132.7	79%	0.786	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-57.7	127	174.7	23.2	-31.1	0	0	0	108.8
184	A	71.4	Confident	63.6	Low	86 Å²	86	132.5 Å²	132.5	71%	0.711	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-54	138.8	174.6	0	0	0	0	0	109.4	V182 A186	V182-A184 PolarHBondContact O-N 3.41Å; A184-A186 PolarHBondContact O-N 2.99Å
185	P	68.9	Low	64.2	Low	112 Å²	112	130.7 Å²	130.7	73%	0.727	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-57.1	133.5	174.6	24.9	-32.7	0	0	0	108.4	V187	P185-V187 PolarHBondContact O-N 3.4Å
186	A	59.9	Low	64.6	Low	103 Å²	103	131.2 Å²	131.2	85%	0.851	77%	0.771	S	S	*	*			trans	-56	101	177.6	0	0	0	0	0	109.1	A184 S188	A184-A186 PolarHBondContact O-N 2.99Å; A186-S188 PolarHBondContact O-N 3.47Å
187	V	60.8	Low	64.1	Low	116 Å²	116	129.4 Å²	129.4	70%	0.703	77%	0.772	S	S	*	*			trans	-68	106.8	170.2	178.6	0	0	0	0	105.7	P185 L189	P185-V187 PolarHBondContact O-N 3.4Å; V187-L189 HydrophobicContact CG1-CD2 4.25Å; V187-L189 PolarHBondContact O-N 3.16Å
188	S	61.9	Low	63.8	Low	85 Å²	85	127.8 Å²	127.8	59%	0.594	77%	0.767	S	S	*	*			trans	-61.3	101.9	170.7	-177.6	0	0	0	0	108.2	A186 Y190	A186-S188 PolarHBondContact O-N 3.47Å; S188-Y190 PolarHBondContact O-N 3.16Å; S188-Y190 VanDerWaalsContact O-N 3.11Å
189	L	60.1	Low	63.2	Low	153 Å²	153	132.3 Å²	132.3	80%	0.801	80%	0.803	S	S	*	*			trans	-77.4	20.2	178.3	-73.4	175.1	0	0	0	113.3	V187	V187-L189 HydrophobicContact CG1-CD2 4.25Å; V187-L189 PolarHBondContact O-N 3.16Å
190	Y	58.7	Low	63	Low	209 Å²	209	129.3 Å²	129.3	82%	0.82	80%	0.801	S	S	*	*			trans	-117.7	64.7	175.4	-58	-75.4	0	0	0	110.6	S188	S188-Y190 PolarHBondContact O-N 3.16Å; S188-Y190 VanDerWaalsContact O-N 3.11Å
191	T	60	Low	62.9	Low	128 Å²	128	126.6 Å²	126.6	79%	0.785	80%	0.798	S	S	*	*			trans	-97.9	102	159.7	-48.7	0	0	0	0	107.3
192	V	64.8	Low	62.4	Low	124 Å²	124	126.7 Å²	126.7	75%	0.752	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.6	130.6	171.9	-167.2	0	0	0	0	107.6
193	P	69.2	Low	61.7	Low	101 Å²	101	126.4 Å²	126.4	66%	0.656	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.9	147.1	175.8	27.3	-34	0	0	0	110.5	T195	P193-T195 PolarHBondContact O-N 2.88Å
194	P	69.3	Low	61.1	Low	117 Å²	117	126.7 Å²	126.7	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-63.6	127.9	176.8	26.4	-32.6	0	0	0	110	T196	P194-T196 PolarHBondContact O-N 2.73Å; P194-T196 VanDerWaalsContact O-N 3.1Å
195	T	60.8	Low	60.4	Low	139 Å²	139	129.4 Å²	129.4	85%	0.853	80%	0.804	S	S	*	*			trans	-65.6	105.4	167.7	42.2	0	0	0	0	108.7	P193 S197	P193-T195 PolarHBondContact O-N 2.88Å; T195-S197 PolarHBondContact O-N 3.04Å; T195-S197 VanDerWaalsContact O-N 3.12Å
196	T	59.1	Low	59.8	Low	133 Å²	133	130.6 Å²	130.6	82%	0.816	81%	0.81	S	S	*	*			trans	-75.4	98	166.9	47.5	0	0	0	0	108.8	P194	P194-T196 PolarHBondContact O-N 2.73Å; P194-T196 VanDerWaalsContact O-N 3.1Å
197	S	46.9	Very low	59.8	Low	120 Å²	120	132.8 Å²	132.8	84%	0.839	81%	0.806	S	S	*	*			trans	-67	117.8	154.9	53.6	0	0	0	0	108.5	T195	T195-S197 PolarHBondContact O-N 3.04Å; T195-S197 VanDerWaalsContact O-N 3.12Å
198	S	56.6	Low	59.8	Low	107 Å²	107	134.2 Å²	134.2	75%	0.748	82%	0.815	S	S	*	*			trans	-146.7	113.2	166.6	168	0	0	0	0	109.5
199	S	49.7	Very low	59.6	Low	194 Å²	194	138.6 Å²	138.6	100%	1.357	84%	0.835	S	S	*	*			trans	69	0	165	-59.8	0	0	0	0	118.5

Retrieved 199 of 199 residues in 775.8 ms (Link to these results)

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