A0A5K4F5S5_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F5S5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	37.6	Very low	35.9	Very low	248 Å²	248	124.6 Å²	124.6	100%	1.222	67%	0.67	S	S	*	*				0	107.2	0	-71.7	-178.7	178.4	0	0	108.1
2	G	35.8	Very low	36.1	Very low	13 Å²	13	127 Å²	127	13%	0.134	68%	0.681	C	S	.	*	P	Polyproline II helix	trans	-101.8	146.5	178.2	0	0	0	0	0	110.6	Q13	G2-Q13 WeakPolarHBondContact O-CB 3.4Å; G2-Q13 PolarHBondContact O-OE1 3.01Å
3	T	28.4	Very low	37.6	Very low	93 Å²	93	125.2 Å²	125.2	57%	0.571	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-97.5	131.3	174.1	-52.6	0	0	0	0	108.2
4	I	40	Very low	39	Very low	83 Å²	83	126.3 Å²	126.3	43%	0.426	67%	0.67	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.4	121.9	169.4	-63.3	176.5	0	0	0	107.7	K6	I4-K6 PolarHBondContact O-N 3.36Å
5	L	31.4	Very low	41	Very low	119 Å²	119	124.2 Å²	124.2	62%	0.623	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.2	108.5	171.5	-73.2	165.2	0	0	0	108.9
6	K	36.7	Very low	43	Very low	178 Å²	178	118.7 Å²	118.7	77%	0.774	64%	0.641	S	S	*	*			trans	-116.6	86.5	167.7	-149.5	-177	-174.5	-175	0	108.3	I4	I4-K6 PolarHBondContact O-N 3.36Å
7	G	33.7	Very low	44.7	Very low	65 Å²	65	122.8 Å²	122.8	67%	0.67	65%	0.647	S	S	*	*	S	Bend	trans	60.9	94.8	174.4	0	0	0	0	0	115.1	Q9	G7-Q9 PolarHBondContact O-N 3.13Å
8	N	39.3	Very low	46.7	Very low	178 Å²	178	120.4 Å²	120.4	95%	0.952	63%	0.632	S	S	*	*	S	Bend	trans	44.2	6.9	172.1	-98.7	30.9	0	0	0	119.6
9	Q	34.1	Very low	48.9	Very low	149 Å²	149	117.9 Å²	117.9	70%	0.696	62%	0.619	S	S	*	*	S	Bend	trans	-126.1	118.7	175.7	-61.2	-148.3	85.4	0	0	109.5	G7 T11	G7-Q9 PolarHBondContact O-N 3.13Å; Q9-T11 PolarHBondContact O-N 3.27Å
10	M	36	Very low	50.9	Low	166 Å²	166	115.3 Å²	115.3	82%	0.818	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.4	105.1	172.9	-66	-173.9	-62.2	0	0	108.2
11	T	41.7	Very low	52.9	Low	79 Å²	79	115.1 Å²	115.1	49%	0.485	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.3	123.7	171.6	-43.8	0	0	0	0	107.7	Q9 Q13	Q9-T11 PolarHBondContact O-N 3.27Å; T11-Q13 PolarHBondContact O-N 3.24Å
12	L	38.8	Very low	55.6	Low	153 Å²	153	109.1 Å²	109.1	80%	0.801	57%	0.573	S	S	*	*			trans	-52.5	131.7	170.6	-70.4	161.3	0	0	0	108.4	I14	L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.06Å
13	Q	55	Low	58.4	Low	104 Å²	104	110.3 Å²	110.3	49%	0.486	58%	0.581	S	S	.	*			trans	-68.9	95.8	170.1	-172.1	-172.5	-72.5	0	0	107.3	G2 T11 S15	G2-Q13 WeakPolarHBondContact O-CB 3.4Å; G2-Q13 PolarHBondContact O-OE1 3.01Å; T11-Q13 PolarHBondContact O-N 3.24Å; Q13-S15 PolarHBondContact O-N 2.94Å
14	I	57.4	Low	61.6	Low	140 Å²	140	110.2 Å²	110.2	72%	0.718	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-66.8	129.8	173.8	-57.6	173.1	0	0	0	106.4	L12 T16	L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 PolarHBondContact O-N 3.06Å; I14-T16 PolarHBondContact O-N 2.86Å
15	S	69.8	Low	64.3	Low	95 Å²	95	106.9 Å²	106.9	66%	0.664	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-63.1	120.7	172.3	-172.2	0	0	0	0	108.3	Q13 Y17	Q13-S15 PolarHBondContact O-N 2.94Å; S15-Y17 PolarHBondContact O-N 2.84Å
16	T	72.9	Confident	67.4	Low	36 Å²	36	106.4 Å²	106.4	22%	0.221	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-61.8	135	166.6	-48.4	0	0	0	0	108.4	I14 D19 D39	I14-T16 PolarHBondContact O-N 2.86Å; T16-D19 HydrophobicContact CG2-CB 3.92Å; T16-D19 WeakPolarHBondContact CG2-OD2 3.34Å; T16-D39 HydrophobicContact CG2-CB 4.46Å; T16-D39 PolarHBondContact OG1-OD2 3.05Å
17	Y	72.2	Confident	70.1	Confident	189 Å²	189	98.2 Å²	98.2	74%	0.741	52%	0.524	S	S	*	.	S	Bend	trans	-86.9	-64.3	167.9	-179	-97.9	0	0	0	108.9	S15	S15-Y17 PolarHBondContact O-N 2.84Å
18	E	80.2	Confident	72.8	Confident	80 Å²	80	100.1 Å²	100.1	37%	0.374	52%	0.519	S	S	.	.			trans	-156.2	125.6	170	-177.5	-174	158.3	0	0	107.1	D39 L40 F50	E18-D39 CarbonylContact C-O 3.58Å; E18-D39 WeakPolarHBondContact CA-O 3.2Å; E18-L40 HydrophobicContact CG-CD2 4.12Å; E18-F50 HydrophobicContact CG-CZ 4.5Å
19	D	87.7	Confident	75.2	Confident	72 Å²	72	98.1 Å²	98.1	39%	0.385	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.8	174.3	-82.5	-40.3	0	0	0	110.6	T16 Y21 D39	T16-D19 HydrophobicContact CG2-CB 3.92Å; T16-D19 WeakPolarHBondContact CG2-OD2 3.34Å; D19-Y21 HydrophobicContact CB-CD2 4.41Å; D19-Y21 HydrophobicContact CB-CE2 3.56Å; D19-Y21 PolarHBondContact OD2-OH 3.43Å; D19-D39 HydrophobicContact CB-CB 4.34Å; D19-D39 PolarHBondContact N-O 2.92Å; D19-D39 PolarHBondContact O-N 3.38Å
20	T	89.7	Confident	78	Confident	66 Å²	66	93.1 Å²	93.1	41%	0.405	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.5	173.9	-63.7	0	0	0	0	110.3	R36 I37 Y38	T20-R36 HydrophobicContact CG2-CG 3.45Å; T20-R36 VanDerWaalsContact CG2-CG 3.45Å; T20-I37 WeakPolarHBondContact CA-O 3.38Å; T20-Y38 HydrophobicContact CG2-CE1 4.4Å
21	Y	92.9	Very high	80.7	Confident	111 Å²	111	87 Å²	87	44%	0.435	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.1	176.2	-55.7	-85.7	0	0	0	110.4	D19 R36 I37 D39	D19-Y21 HydrophobicContact CB-CD2 4.41Å; D19-Y21 HydrophobicContact CB-CE2 3.56Å; D19-Y21 PolarHBondContact OD2-OH 3.43Å; Y21-R36 CarbonylContact O-C 3.59Å; Y21-R36 WeakPolarHBondContact O-CA 3.47Å; Y21-I37 PolarHBondContact N-O 2.64Å; Y21-I37 PolarHBondContact O-N 2.91Å; Y21-D39 HydrophobicContact CD2-CB 4.26Å; Y21-D39 HydrophobicContact CE2-CB 3.74Å
22	N	94.5	Very high	83.2	Confident	123 Å²	123	90.2 Å²	90.2	66%	0.658	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.4	169.1	-62.6	-76.9	0	0	0	108.5	V35	N22-V35 WeakPolarHBondContact CA-O 3.18Å
23	A	94.5	Very high	85.9	Confident	37 Å²	37	86 Å²	86	31%	0.306	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.4	179.6	0	0	0	0	0	111.2	K34 V35 I37	A23-K34 WeakPolarHBondContact O-CA 3.21Å; A23-V35 HydrophobicContact CB-CG2 3.84Å; A23-V35 PolarHBondContact N-O 3.2Å; A23-V35 PolarHBondContact O-N 3.11Å; A23-I37 HydrophobicContact CB-CD1 4.33Å
24	V	96.2	Very high	87.9	Confident	92 Å²	92	90 Å²	90	56%	0.558	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.3	168	179.3	0	0	0	0	107.2	K32 E33 K34	V24-K32 HydrophobicContact CG1-CB 3.8Å; V24-K32 HydrophobicContact CG1-CD 4.47Å; V24-K32 HydrophobicContact CG1-CG 4.33Å; V24-E33 CarbonylContact C-O 3.55Å; V24-E33 WeakPolarHBondContact CA-O 3.38Å; V24-K34 HydrophobicContact CG2-CG 4.27Å
25	V	96.2	Very high	89.7	Confident	13 Å²	13	84.6 Å²	84.6	8%	0.079	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.3	178.2	178.2	0	0	0	0	107.9	E33 V35 F137 V141	V25-E33 PolarHBondContact N-O 3.09Å; V25-E33 PolarHBondContact O-N 2.76Å; V25-V35 HydrophobicContact CG2-CG1 4.44Å; V25-V35 HydrophobicContact CG2-CG2 3.75Å; V25-F137 HydrophobicContact CG1-CB 4.49Å; V25-F137 HydrophobicContact CG2-CB 4.27Å; V25-V141 HydrophobicContact CB-CB 4.39Å; V25-V141 HydrophobicContact CB-CG1 4.37Å; V25-V141 HydrophobicContact CB-CG2 4.05Å; V25-V141 HydrophobicContact CG1-CB 4.01Å; V25-V141 HydrophobicContact CG1-CG1 4.36Å; V25-V141 HydrophobicContact CG1-CG2 3.96Å; V25-V141 HydrophobicContact CG2-CG2 4.15Å
26	E	95.3	Very high	91	Very high	108 Å²	108	87.1 Å²	87.1	51%	0.505	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122	170.2	-168.1	166.4	143.2	0	0	108.4	S31 K32 T138	E26-S31 CarbonylContact C-O 3.53Å; E26-S31 WeakPolarHBondContact CA-O 3.32Å; E26-K32 HydrophobicContact CG-CG 4.44Å; E26-K32 WeakPolarHBondContact OE2-CE 3.31Å; E26-T138 VanDerWaalsContact O-CG2 3.31Å; E26-T138 WeakPolarHBondContact O-CG2 3.38Å
27	T	93.9	Very high	92	Very high	7 Å²	7	87.8 Å²	87.8	4%	0.043	43%	0.429	C	S	.	.			trans	-74.5	167.1	179.2	63.8	0	0	0	0	111.1	R29 G30 S31 E33 V141 S142	T27-R29 PolarHBondContact O-N 3.33Å; T27-R29 VanDerWaalsContact O-N 3.09Å; T27-R29 PolarHBondContact OG1-N 3.14Å; T27-G30 PolarHBondContact O-N 3.34Å; T27-S31 WeakPolarHBondContact CG2-OG 3.42Å; T27-S31 PolarHBondContact N-O 3.31Å; T27-S31 PolarHBondContact OG1-N 2.8Å; T27-S31 VanDerWaalsContact OG1-N 3.13Å; T27-S31 PolarHBondContact OG1-O 3.13Å; T27-S31 PolarHBondContact OG1-OG 2.78Å; T27-E33 HydrophobicContact CG2-CG 3.65Å; T27-V141 HydrophobicContact CG2-CG1 3.99Å; T27-S142 WeakPolarHBondContact CA-OG 3.26Å; T27-S142 WeakPolarHBondContact CB-OG 3.24Å
28	D	90.9	Very high	93	Very high	105 Å²	105	82.9 Å²	82.9	56%	0.561	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.9	170.9	60.2	-7.2	0	0	0	113.9	S142	D28-S142 PolarHBondContact N-OG 3.44Å; D28-S142 VanDerWaalsContact N-OG 3.11Å; D28-S142 WeakPolarHBondContact OD1-CB 3.31Å; D28-S142 PolarHBondContact OD1-OG 3.47Å
29	R	90.6	Very high	93.6	Very high	136 Å²	136	81.8 Å²	81.8	51%	0.513	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.6	176.1	-65.5	177.5	-67.8	166.5	0.4	113.7	T27 S31 T145	T27-R29 PolarHBondContact O-N 3.33Å; T27-R29 VanDerWaalsContact O-N 3.09Å; T27-R29 PolarHBondContact OG1-N 3.14Å; R29-S31 VanDerWaalsContact C-N 3.28Å; R29-S31 PolarHBondContact O-N 2.79Å; R29-T145 PolarHBondContact NH2-OG1 3.33Å
30	G	91	Very high	93.7	Very high	44 Å²	44	79.8 Å²	79.8	45%	0.454	40%	0.395	S	S	.	.	S	Bend	trans	76.2	7.9	-177.4	0	0	0	0	0	114.7	T27	T27-G30 PolarHBondContact O-N 3.34Å
31	S	93	Very high	93.3	Very high	37 Å²	37	78.2 Å²	78.2	26%	0.259	39%	0.392	S	S	.	.			trans	-77.2	140.1	173	76.3	0	0	0	0	110.4	E26 T27 R29 E33	E26-S31 CarbonylContact C-O 3.53Å; E26-S31 WeakPolarHBondContact CA-O 3.32Å; T27-S31 WeakPolarHBondContact CG2-OG 3.42Å; T27-S31 PolarHBondContact N-O 3.31Å; T27-S31 PolarHBondContact OG1-N 2.8Å; T27-S31 VanDerWaalsContact OG1-N 3.13Å; T27-S31 PolarHBondContact OG1-O 3.13Å; T27-S31 PolarHBondContact OG1-OG 2.78Å; R29-S31 VanDerWaalsContact C-N 3.28Å; R29-S31 PolarHBondContact O-N 2.79Å; S31-E33 WeakPolarHBondContact CB-OE1 3.33Å; S31-E33 PolarHBondContact OG-OE1 2.86Å
32	K	95	Very high	92.7	Very high	147 Å²	147	76.1 Å²	76.1	64%	0.639	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.5	176.6	-69.3	-175.4	-178.4	-177.7	0	109.9	V24 E26	V24-K32 HydrophobicContact CG1-CB 3.8Å; V24-K32 HydrophobicContact CG1-CD 4.47Å; V24-K32 HydrophobicContact CG1-CG 4.33Å; E26-K32 HydrophobicContact CG-CG 4.44Å; E26-K32 WeakPolarHBondContact OE2-CE 3.31Å
33	E	96.2	Very high	91.8	Very high	63 Å²	63	72.9 Å²	72.9	29%	0.294	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.9	-177.9	-57.2	-59.9	153.4	0	0	110.5	V24 V25 T27 S31 V141 T145	V24-E33 CarbonylContact C-O 3.55Å; V24-E33 WeakPolarHBondContact CA-O 3.38Å; V25-E33 PolarHBondContact N-O 3.09Å; V25-E33 PolarHBondContact O-N 2.76Å; T27-E33 HydrophobicContact CG2-CG 3.65Å; S31-E33 WeakPolarHBondContact CB-OE1 3.33Å; S31-E33 PolarHBondContact OG-OE1 2.86Å; E33-V141 HydrophobicContact CB-CG1 3.69Å; E33-V141 HydrophobicContact CG-CG1 3.83Å; E33-T145 HydrophobicContact CG-CG2 3.98Å
34	K	96.1	Very high	90.9	Very high	188 Å²	188	75.7 Å²	75.7	82%	0.817	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	123	170.6	-69.9	-179.2	-178.5	178	0	108.6	A23 V24	A23-K34 WeakPolarHBondContact O-CA 3.21Å; V24-K34 HydrophobicContact CG2-CG 4.27Å
35	V	95.8	Very high	90.4	Very high	28 Å²	28	77.8 Å²	77.8	17%	0.17	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.9	180	-59.3	0	0	0	0	110.8	N22 A23 V25 I37 V141	N22-V35 WeakPolarHBondContact CA-O 3.18Å; A23-V35 HydrophobicContact CB-CG2 3.84Å; A23-V35 PolarHBondContact N-O 3.2Å; A23-V35 PolarHBondContact O-N 3.11Å; V25-V35 HydrophobicContact CG2-CG1 4.44Å; V25-V35 HydrophobicContact CG2-CG2 3.75Å; V35-I37 HydrophobicContact CG2-CD1 4.4Å; V35-I37 HydrophobicContact CG2-CG1 4.28Å; V35-V141 HydrophobicContact CG1-CG1 4.16Å; V35-V141 HydrophobicContact CG1-CG2 3.7Å
36	R	95.9	Very high	90.1	Very high	148 Å²	148	77.5 Å²	77.5	56%	0.558	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.3	169.5	-172.9	-179.3	-65.9	137.4	2.1	108.1	T20 Y21 Y38	T20-R36 HydrophobicContact CG2-CG 3.45Å; T20-R36 VanDerWaalsContact CG2-CG 3.45Å; Y21-R36 CarbonylContact O-C 3.59Å; Y21-R36 WeakPolarHBondContact O-CA 3.47Å; R36-Y38 VanDerWaalsContact CD-CZ 3.4Å; R36-Y38 WeakPolarHBondContact CD-OH 3.44Å; R36-Y38 HydrophobicContact CG-CE1 4.43Å; R36-Y38 HydrophobicContact CG-CE2 4.1Å
37	I	95	Very high	89.8	Confident	50 Å²	50	77.3 Å²	77.3	26%	0.256	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.4	-179.1	-58	167.9	0	0	0	107	T20 Y21 A23 V35 F137	T20-I37 WeakPolarHBondContact CA-O 3.38Å; Y21-I37 PolarHBondContact N-O 2.64Å; Y21-I37 PolarHBondContact O-N 2.91Å; A23-I37 HydrophobicContact CB-CD1 4.33Å; V35-I37 HydrophobicContact CG2-CD1 4.4Å; V35-I37 HydrophobicContact CG2-CG1 4.28Å; I37-F137 HydrophobicContact CD1-CD1 4.3Å; I37-F137 HydrophobicContact CD1-CE1 3.72Å; I37-F137 HydrophobicContact CD1-CZ 4.13Å; I37-F137 HydrophobicContact CG1-CE1 4.42Å
38	Y	93.4	Very high	89.7	Confident	86 Å²	86	81.3 Å²	81.3	34%	0.337	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	108.3	172.1	-60.2	-84.7	0	0	0	107.8	T20 R36	T20-Y38 HydrophobicContact CG2-CE1 4.4Å; R36-Y38 VanDerWaalsContact CD-CZ 3.4Å; R36-Y38 WeakPolarHBondContact CD-OH 3.44Å; R36-Y38 HydrophobicContact CG-CE1 4.43Å; R36-Y38 HydrophobicContact CG-CE2 4.1Å
39	D	91.9	Very high	89.8	Confident	56 Å²	56	80.7 Å²	80.7	30%	0.299	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	107	172.2	179.1	12	0	0	0	108.6	T16 E18 D19 Y21 G41	T16-D39 HydrophobicContact CG2-CB 4.46Å; T16-D39 PolarHBondContact OG1-OD2 3.05Å; E18-D39 CarbonylContact C-O 3.58Å; E18-D39 WeakPolarHBondContact CA-O 3.2Å; D19-D39 HydrophobicContact CB-CB 4.34Å; D19-D39 PolarHBondContact N-O 2.92Å; D19-D39 PolarHBondContact O-N 3.38Å; Y21-D39 HydrophobicContact CD2-CB 4.26Å; Y21-D39 HydrophobicContact CE2-CB 3.74Å; D39-G41 VanDerWaalsContact C-N 3.27Å; D39-G41 PolarHBondContact OD1-N 3.05Å
40	L	88.8	Confident	89.8	Confident	30 Å²	30	74.7 Å²	74.7	16%	0.157	39%	0.386	C	S	.	.			trans	-90.1	8.4	-177.4	-52.5	-175	0	0	0	112.4	E18 M43 L46 F50	E18-L40 HydrophobicContact CG-CD2 4.12Å; L40-M43 HydrophobicContact CB-SD 3.95Å; L40-M43 WeakPolarHBondContact O-CB 3.37Å; L40-M43 WeakPolarHBondContact O-CG 3.33Å; L40-M43 PolarHBondContact O-N 3.19Å; L40-L46 HydrophobicContact CD1-CD1 3.37Å; L40-F50 HydrophobicContact CD1-CB 4.39Å; L40-F50 HydrophobicContact CD1-CD1 4.19Å; L40-F50 HydrophobicContact CD1-CD2 4.04Å; L40-F50 HydrophobicContact CD1-CE2 4.35Å; L40-F50 HydrophobicContact CD1-CG 3.95Å; L40-F50 HydrophobicContact CD2-CD1 3.79Å; L40-F50 HydrophobicContact CD2-CD2 4.43Å; L40-F50 HydrophobicContact CD2-CE1 3.39Å; L40-F50 HydrophobicContact CD2-CE2 4.08Å; L40-F50 HydrophobicContact CD2-CG 4.3Å; L40-F50 HydrophobicContact CD2-CZ 3.55Å
41	G	82.7	Confident	89.9	Confident	33 Å²	33	72.6 Å²	72.6	34%	0.34	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	-147.4	178.8	0	0	0	0	0	113.7	D39 M43	D39-G41 VanDerWaalsContact C-N 3.27Å; D39-G41 PolarHBondContact OD1-N 3.05Å; G41-M43 PolarHBondContact O-N 3.33Å; G41-M43 VanDerWaalsContact O-N 3.11Å
42	G	79.5	Confident	89.9	Confident	68 Å²	68	74.6 Å²	74.6	70%	0.701	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	25.2	-179.3	0	0	0	0	0	114.6	T44	G42-T44 PolarHBondContact O-N 2.77Å
43	M	76	Confident	89.7	Confident	55 Å²	55	70.6 Å²	70.6	27%	0.271	36%	0.363	S	S	.	.			trans	-58.6	127.3	179.5	-83.1	-175.7	137.7	0	0	111.2	L40 G41	L40-M43 HydrophobicContact CB-SD 3.95Å; L40-M43 WeakPolarHBondContact O-CB 3.37Å; L40-M43 WeakPolarHBondContact O-CG 3.33Å; L40-M43 PolarHBondContact O-N 3.19Å; G41-M43 PolarHBondContact O-N 3.33Å; G41-M43 VanDerWaalsContact O-N 3.11Å
44	T	75.9	Confident	89.6	Confident	95 Å²	95	68.2 Å²	68.2	58%	0.583	35%	0.354	S	S	*	.	S	Bend	trans	-95.9	2.3	175.5	60.7	0	0	0	0	112.9	G42	G42-T44 PolarHBondContact O-N 2.77Å
45	K	84.3	Confident	89.5	Confident	137 Å²	137	63.8 Å²	63.8	60%	0.596	34%	0.339	S	S	*	.	S	Bend	trans	-144.1	133.9	-179.4	-172.9	179.2	-178.3	-176.9	0	109.4	D78	K45-D78 WeakPolarHBondContact CA-OD2 3.15Å
46	L	90.2	Very high	89.6	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	34%	0.341	C	S	.	.			trans	-102.8	132.5	-179.7	-169.2	65	0	0	0	110.5	L40 F50 V51 F57 L75 D78 I79 Y82	L40-L46 HydrophobicContact CD1-CD1 3.37Å; L46-F50 HydrophobicContact CD1-CB 3.72Å; L46-F50 HydrophobicContact CD1-CD2 3.93Å; L46-F50 HydrophobicContact CD1-CG 4.12Å; L46-F50 HydrophobicContact CG-CB 4.3Å; L46-V51 HydrophobicContact CD2-CG2 3.32Å; L46-V51 HydrophobicContact CG-CG2 3.92Å; L46-F57 HydrophobicContact CD1-CE1 4.39Å; L46-F57 HydrophobicContact CD2-CD1 4.47Å; L46-F57 HydrophobicContact CD2-CE1 3.65Å; L46-F57 HydrophobicContact CD2-CZ 3.88Å; L46-L75 HydrophobicContact CB-CD2 4Å; L46-D78 HydrophobicContact CB-CB 3.84Å; L46-D78 PolarHBondContact N-OD2 2.77Å; L46-I79 HydrophobicContact CD2-CD1 4.21Å; L46-I79 HydrophobicContact CD2-CG1 3.4Å; L46-I79 VanDerWaalsContact CD2-CG1 3.4Å; L46-Y82 VanDerWaalsContact O-CE2 3.23Å; L46-Y82 WeakPolarHBondContact O-CE2 3.3Å
47	E	90	Very high	89.7	Confident	105 Å²	105	57.7 Å²	57.7	49%	0.491	32%	0.319	S	S	.	.			trans	-82.6	149.7	174.3	-60.9	-162	174.1	0	0	112.2	H49 F50	E47-H49 WeakPolarHBondContact CB-ND1 3.47Å; E47-H49 PolarHBondContact O-N 2.87Å; E47-H49 VanDerWaalsContact O-N 3.1Å; E47-H49 IonicContact OE2-CE1 3.05Å; E47-H49 PolarHBondContact OE2-CE1 2.85Å; E47-H49 IonicContact OE2-ND1 2.81Å; E47-H49 PolarHBondContact OE2-ND1 3.47Å; E47-F50 HydrophobicContact CB-CD2 4.01Å; E47-F50 HydrophobicContact CB-CE2 4.34Å; E47-F50 PolarHBondContact O-N 3.4Å
48	K	92.5	Very high	89.8	Confident	90 Å²	90	57.9 Å²	57.9	39%	0.391	32%	0.32	S	S	.	.	H	α-helix	trans	-53.8	-36.1	-178	-175.6	173.2	-172.8	177.8	0	112.6	F50 V51 N52 Y82 E84	K48-F50 PolarHBondContact O-N 2.9Å; K48-V51 PolarHBondContact O-N 3.49Å; K48-N52 PolarHBondContact O-N 2.89Å; K48-Y82 HydrophobicContact CB-CD1 3.63Å; K48-Y82 HydrophobicContact CB-CD2 4.42Å; K48-Y82 HydrophobicContact CB-CE1 3.92Å; K48-Y82 HydrophobicContact CB-CG 3.91Å; K48-Y82 HydrophobicContact CD-CD1 4.03Å; K48-Y82 HydrophobicContact CG-CD1 3.7Å; K48-Y82 HydrophobicContact CG-CE1 4.41Å; K48-Y82 HydrophobicContact CG-CG 4.03Å; K48-E84 IonicContact NZ-OE1 2.84Å; K48-E84 PolarHBondContact NZ-OE1 2.88Å
49	H	91.4	Very high	90	Very high	92 Å²	92	54.2 Å²	54.2	43%	0.426	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-35.2	-174.2	72.7	-95.7	0	0	0	112.6	E47 N52 C53	E47-H49 WeakPolarHBondContact CB-ND1 3.47Å; E47-H49 PolarHBondContact O-N 2.87Å; E47-H49 VanDerWaalsContact O-N 3.1Å; E47-H49 IonicContact OE2-CE1 3.05Å; E47-H49 PolarHBondContact OE2-CE1 2.85Å; E47-H49 IonicContact OE2-ND1 2.81Å; E47-H49 PolarHBondContact OE2-ND1 3.47Å; H49-N52 PolarHBondContact O-N 3.31Å; H49-C53 PolarHBondContact O-N 3.42Å; H49-C53 PolarHBondContact O-SG 3.48Å
50	F	91.4	Very high	90.2	Very high	10 Å²	10	55.2 Å²	55.2	4%	0.044	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-41.7	172.8	-68	-61	0	0	0	111.7	E18 L40 L46 E47 K48 N52 C53 A54	E18-F50 HydrophobicContact CG-CZ 4.5Å; L40-F50 HydrophobicContact CD1-CB 4.39Å; L40-F50 HydrophobicContact CD1-CD1 4.19Å; L40-F50 HydrophobicContact CD1-CD2 4.04Å; L40-F50 HydrophobicContact CD1-CE2 4.35Å; L40-F50 HydrophobicContact CD1-CG 3.95Å; L40-F50 HydrophobicContact CD2-CD1 3.79Å; L40-F50 HydrophobicContact CD2-CD2 4.43Å; L40-F50 HydrophobicContact CD2-CE1 3.39Å; L40-F50 HydrophobicContact CD2-CE2 4.08Å; L40-F50 HydrophobicContact CD2-CG 4.3Å; L40-F50 HydrophobicContact CD2-CZ 3.55Å; L46-F50 HydrophobicContact CD1-CB 3.72Å; L46-F50 HydrophobicContact CD1-CD2 3.93Å; L46-F50 HydrophobicContact CD1-CG 4.12Å; L46-F50 HydrophobicContact CG-CB 4.3Å; E47-F50 HydrophobicContact CB-CD2 4.01Å; E47-F50 HydrophobicContact CB-CE2 4.34Å; E47-F50 PolarHBondContact O-N 3.4Å; K48-F50 PolarHBondContact O-N 2.9Å; F50-N52 VanDerWaalsContact C-N 3.33Å; F50-N52 PolarHBondContact O-N 2.92Å; F50-C53 PolarHBondContact O-N 3.27Å; F50-C53 PolarHBondContact O-SG 3.43Å; F50-C53 VanDerWaalsContact O-SG 3.34Å; F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.25Å; F50-A54 PolarHBondContact O-N 3.15Å; F50-A54 VanDerWaalsContact O-N 3.1Å
51	V	93.4	Very high	90.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-40.7	177.2	-175.6	0	0	0	0	111.2	L46 K48 C53 F57 I79 Y82 R83 R86 L88	L46-V51 HydrophobicContact CD2-CG2 3.32Å; L46-V51 HydrophobicContact CG-CG2 3.92Å; K48-V51 PolarHBondContact O-N 3.49Å; V51-C53 PolarHBondContact O-N 3.08Å; V51-F57 HydrophobicContact CB-CZ 4.39Å; V51-F57 HydrophobicContact CG1-CE2 4.45Å; V51-F57 HydrophobicContact CG2-CZ 4.04Å; V51-I79 HydrophobicContact CG1-CG2 4.48Å; V51-I79 HydrophobicContact CG2-CG1 4.33Å; V51-Y82 HydrophobicContact CG2-CD2 4.19Å; V51-Y82 HydrophobicContact CG2-CG 4.5Å; V51-R83 HydrophobicContact CG1-CB 4Å; V51-R86 PolarHBondContact O-NH1 3.19Å; V51-L88 HydrophobicContact CG1-CD1 3.86Å
52	N	91.7	Very high	91.3	Very high	79 Å²	79	53.8 Å²	53.8	42%	0.422	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-31.7	-179.1	-73.7	-7.6	0	0	0	114	K48 H49 F50 R86	K48-N52 PolarHBondContact O-N 2.89Å; H49-N52 PolarHBondContact O-N 3.31Å; F50-N52 VanDerWaalsContact C-N 3.33Å; F50-N52 PolarHBondContact O-N 2.92Å; N52-R86 PolarHBondContact O-NH1 3.39Å
53	C	91.4	Very high	92.2	Very high	64 Å²	64	51.4 Å²	51.4	43%	0.432	27%	0.269	S	S	.	.	H	α-helix	trans	-95.1	-18.3	-178.1	68	0	0	0	0	114.1	H49 F50 V51	H49-C53 PolarHBondContact O-N 3.42Å; H49-C53 PolarHBondContact O-SG 3.48Å; F50-C53 PolarHBondContact O-N 3.27Å; F50-C53 PolarHBondContact O-SG 3.43Å; F50-C53 VanDerWaalsContact O-SG 3.34Å; V51-C53 PolarHBondContact O-N 3.08Å
54	A	94.4	Very high	93.2	Very high	13 Å²	13	50.9 Å²	50.9	11%	0.107	27%	0.271	C	S	.	.			trans	-75	139.3	-177.7	0	0	0	0	0	112.6	F50 F57 R86 L88	F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.25Å; F50-A54 PolarHBondContact O-N 3.15Å; F50-A54 VanDerWaalsContact O-N 3.1Å; A54-F57 HydrophobicContact CB-CD2 4.24Å; A54-F57 HydrophobicContact CB-CE1 4.33Å; A54-F57 HydrophobicContact CB-CE2 3.52Å; A54-F57 HydrophobicContact CB-CZ 3.57Å; A54-R86 PolarHBondContact O-NH1 3.47Å; A54-R86 PolarHBondContact O-NH2 3.23Å; A54-L88 VanDerWaalsContact O-CD2 3.25Å; A54-L88 WeakPolarHBondContact O-CD2 3.48Å
55	D	94.6	Very high	94.2	Very high	95 Å²	95	49.4 Å²	49.4	51%	0.508	26%	0.259	S	S	.	.	S	Bend	trans	-88.7	-28.5	167	-62.7	-60	0	0	0	112.1	I144	D55-I144 HydrophobicContact CB-CD1 3.95Å
56	A	96.9	Very high	94.7	Very high	26 Å²	26	44.3 Å²	44.3	22%	0.215	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.1	178.3	0	0	0	0	0	111.3	C89 T140 I144	A56-C89 CarbonylContact C-O 3.6Å; A56-C89 WeakPolarHBondContact CA-O 3.24Å; A56-C89 HydrophobicContact CB-CB 4.03Å; A56-C89 WeakPolarHBondContact CB-O 3.45Å; A56-T140 HydrophobicContact CB-CG2 3.74Å; A56-I144 HydrophobicContact CB-CD1 4.47Å; A56-I144 HydrophobicContact CB-CG2 3.95Å
57	F	97.3	Very high	95	Very high	22 Å²	22	51.4 Å²	51.4	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.4	170	-77.9	-84	0	0	0	110.1	L46 V51 A54 I79 L88 C89 I90 V91	L46-F57 HydrophobicContact CD1-CE1 4.39Å; L46-F57 HydrophobicContact CD2-CD1 4.47Å; L46-F57 HydrophobicContact CD2-CE1 3.65Å; L46-F57 HydrophobicContact CD2-CZ 3.88Å; V51-F57 HydrophobicContact CB-CZ 4.39Å; V51-F57 HydrophobicContact CG1-CE2 4.45Å; V51-F57 HydrophobicContact CG2-CZ 4.04Å; A54-F57 HydrophobicContact CB-CD2 4.24Å; A54-F57 HydrophobicContact CB-CE1 4.33Å; A54-F57 HydrophobicContact CB-CE2 3.52Å; A54-F57 HydrophobicContact CB-CZ 3.57Å; F57-I79 HydrophobicContact CB-CD1 3.94Å; F57-I79 HydrophobicContact CD1-CD1 3.7Å; F57-I79 HydrophobicContact CD1-CG1 4.3Å; F57-I79 HydrophobicContact CD2-CD1 3.84Å; F57-I79 HydrophobicContact CD2-CG1 4.18Å; F57-I79 HydrophobicContact CD2-CG2 4.25Å; F57-I79 HydrophobicContact CE1-CD1 4.18Å; F57-I79 HydrophobicContact CE1-CG1 4.29Å; F57-I79 HydrophobicContact CE2-CD1 4.3Å; F57-I79 HydrophobicContact CE2-CG1 4.17Å; F57-I79 HydrophobicContact CE2-CG2 4.32Å; F57-I79 HydrophobicContact CG-CD1 3.52Å; F57-I79 HydrophobicContact CG-CG1 4.26Å; F57-I79 HydrophobicContact CZ-CD1 4.47Å; F57-I79 HydrophobicContact CZ-CG1 4.23Å; F57-L88 HydrophobicContact CD2-CD1 4.26Å; F57-L88 HydrophobicContact CE2-CD1 3.95Å; F57-C89 PolarHBondContact N-O 3.34Å; F57-I90 HydrophobicContact CB-CG1 4.41Å; F57-I90 WeakPolarHBondContact O-CA 3.44Å; F57-V91 PolarHBondContact O-N 3.01Å
58	I	97.7	Very high	95.3	Very high	53 Å²	53	47.4 Å²	47.4	27%	0.272	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	105.1	165.3	-61.8	173.9	0	0	0	106.2	V60 V91 L136 F137 T140	I58-V60 HydrophobicContact CG2-CG2 3.93Å; I58-V91 CarbonylContact C-O 3.54Å; I58-V91 WeakPolarHBondContact CA-O 3.49Å; I58-L136 HydrophobicContact CD1-CD1 4.25Å; I58-L136 HydrophobicContact CD1-CD2 4.4Å; I58-L136 HydrophobicContact CD1-CG 4.16Å; I58-L136 HydrophobicContact CG1-CD1 4.44Å; I58-L136 HydrophobicContact CG2-CD1 4.21Å; I58-L136 HydrophobicContact CG2-CD2 3.96Å; I58-F137 HydrophobicContact CD1-CD1 3.99Å; I58-F137 HydrophobicContact CD1-CE1 3.79Å; I58-T140 HydrophobicContact CG1-CG2 4.41Å
59	L	97.3	Very high	95.5	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126	175.6	-60.7	178.5	0	0	0	108.6	V72 L75 K76 I79 I90 V91 L92 S93	L59-V72 HydrophobicContact CB-CG1 3.83Å; L59-V72 HydrophobicContact CB-CG2 4.17Å; L59-V72 HydrophobicContact CD1-CG1 4.02Å; L59-L75 HydrophobicContact CD2-CB 4.17Å; L59-K76 HydrophobicContact CD1-CB 4.03Å; L59-K76 HydrophobicContact CD1-CD 4.5Å; L59-I79 HydrophobicContact CD1-CD1 4.39Å; L59-I79 HydrophobicContact CD2-CD1 3.97Å; L59-I90 HydrophobicContact CD1-CG2 3.83Å; L59-I90 HydrophobicContact CG-CG2 4.28Å; L59-V91 PolarHBondContact N-O 3.35Å; L59-L92 HydrophobicContact CB-CD1 4.23Å; L59-L92 CarbonylContact O-C 3.36Å; L59-L92 WeakPolarHBondContact O-CA 3.22Å; L59-S93 PolarHBondContact O-N 3.47Å
60	V	97.2	Very high	95.7	Very high	77 Å²	77	42.1 Å²	42.1	47%	0.467	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.5	-172	-170.4	0	0	0	0	109.7	I58 V72 S93 H95	I58-V60 HydrophobicContact CG2-CG2 3.93Å; V60-V72 WeakPolarHBondContact O-CG2 3.32Å; V60-S93 WeakPolarHBondContact CA-O 3.42Å; V60-H95 HydrophobicContact CG1-CB 3.56Å
61	Y	97.1	Very high	95.9	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.047	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155	168.1	75.5	-83.6	0	0	0	110.1	I63 F69 L92 S93 C94 H95 L105 I110	Y61-I63 HydrophobicContact CE2-CD1 4.32Å; Y61-F69 AromaticContact CD1-CD2 3.91Å; Y61-F69 HydrophobicContact CD1-CD2 3.91Å; Y61-F69 HydrophobicContact CD2-CB 4.14Å; Y61-F69 HydrophobicContact CD2-CD2 4.26Å; Y61-F69 HydrophobicContact CE1-CD2 4.17Å; Y61-F69 HydrophobicContact CG-CB 4.21Å; Y61-F69 AromaticContact CG-CD2 3.94Å; Y61-F69 HydrophobicContact CG-CD2 3.94Å; Y61-L92 HydrophobicContact CD1-CD1 3.74Å; Y61-L92 HydrophobicContact CD1-CD2 4.37Å; Y61-L92 HydrophobicContact CD1-CG 4.07Å; Y61-L92 HydrophobicContact CE1-CD1 4.01Å; Y61-L92 HydrophobicContact CE1-CD2 3.82Å; Y61-L92 HydrophobicContact CE1-CG 3.83Å; Y61-S93 PolarHBondContact N-O 2.81Å; Y61-C94 HydrophobicContact CE1-CB 3.75Å; Y61-C94 HydrophobicContact CE2-CB 4.26Å; Y61-C94 VanDerWaalsContact OH-CB 3.29Å; Y61-C94 WeakPolarHBondContact OH-CB 3.26Å; Y61-C94 PolarHBondContact OH-SG 3.34Å; Y61-C94 VanDerWaalsContact OH-SG 3.42Å; Y61-H95 WeakPolarHBondContact O-CA 3.33Å; Y61-H95 WeakPolarHBondContact O-CB 3.42Å; Y61-H95 PolarHBondContact O-N 3.01Å; Y61-L105 HydrophobicContact CD2-CD1 4.45Å; Y61-L105 HydrophobicContact CE2-CD1 4.28Å; Y61-I110 HydrophobicContact CE2-CD1 4.29Å
62	D	96.6	Very high	96	Very high	21 Å²	21	43.6 Å²	43.6	11%	0.112	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.1	177.4	-176.4	-21.9	0	0	0	109.1	S64 D65 S68 K96	D62-S64 VanDerWaalsContact CG-OG 3.3Å; D62-S64 PolarHBondContact O-N 3.44Å; D62-S64 WeakPolarHBondContact OD1-CB 3.34Å; D62-S64 PolarHBondContact OD1-N 2.7Å; D62-S64 PolarHBondContact OD1-OG 2.86Å; D62-S64 PolarHBondContact OD2-OG 2.85Å; D62-D65 HydrophobicContact CB-CB 4.2Å; D62-D65 PolarHBondContact O-N 3.44Å; D62-S68 PolarHBondContact N-OG 3.26Å; D62-S68 PolarHBondContact O-OG 3.47Å; D62-K96 WeakPolarHBondContact OD2-CD 3.34Å; D62-K96 VanDerWaalsContact OD2-CE 3.24Å; D62-K96 WeakPolarHBondContact OD2-CE 3.34Å; D62-K96 IonicContact OD2-NZ 2.68Å; D62-K96 PolarHBondContact OD2-NZ 3.2Å
63	I	98.1	Very high	96.2	Very high	18 Å²	18	42 Å²	42	9%	0.092	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.8	179.8	-162.8	49.6	0	0	0	112.9	Y61 C94 H95 K96 K99 K101 D102 L105	Y61-I63 HydrophobicContact CE2-CD1 4.32Å; I63-C94 VanDerWaalsContact CD1-SG 3.57Å; I63-H95 PolarHBondContact N-O 2.84Å; I63-K96 WeakPolarHBondContact CG2-O 3.25Å; I63-K99 HydrophobicContact CG2-CB 4.48Å; I63-K101 HydrophobicContact CD1-CB 4.2Å; I63-K101 HydrophobicContact CD1-CD 3.73Å; I63-K101 HydrophobicContact CD1-CG 3.57Å; I63-K101 HydrophobicContact CG1-CB 3.89Å; I63-K101 HydrophobicContact CG1-CD 4.37Å; I63-K101 HydrophobicContact CG1-CG 3.82Å; I63-K101 CarbonylContact O-C 3.56Å; I63-K101 VanDerWaalsContact O-CA 3.31Å; I63-K101 WeakPolarHBondContact O-CA 3.13Å; I63-D102 PolarHBondContact O-N 3.26Å; I63-L105 HydrophobicContact CD1-CD1 4.37Å; I63-L105 WeakPolarHBondContact O-CD1 3.19Å
64	S	97.6	Very high	96.4	Very high	43 Å²	43	41.6 Å²	41.6	30%	0.301	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4	179.2	67.8	0	0	0	0	114.1	D62 P100	D62-S64 VanDerWaalsContact CG-OG 3.3Å; D62-S64 PolarHBondContact O-N 3.44Å; D62-S64 WeakPolarHBondContact OD1-CB 3.34Å; D62-S64 PolarHBondContact OD1-N 2.7Å; D62-S64 PolarHBondContact OD1-OG 2.86Å; D62-S64 PolarHBondContact OD2-OG 2.85Å; S64-P100 WeakPolarHBondContact CB-O 3.31Å
65	D	96.7	Very high	96.5	Very high	64 Å²	64	42.4 Å²	42.4	34%	0.342	24%	0.24	S	C	.	.			trans	-141.4	99.8	-179.5	179.1	13.8	0	0	0	112	D62 K67 S68	D62-D65 HydrophobicContact CB-CB 4.2Å; D62-D65 PolarHBondContact O-N 3.44Å; D65-K67 PolarHBondContact O-N 3.44Å; D65-K67 WeakPolarHBondContact OD1-CB 3.44Å; D65-K67 PolarHBondContact OD1-N 2.93Å; D65-S68 WeakPolarHBondContact O-CB 3.42Å; D65-S68 PolarHBondContact O-N 2.92Å; D65-S68 VanDerWaalsContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 2.91Å
66	S	96	Very high	96.6	Very high	30 Å²	30	37.9 Å²	37.9	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-55.2	-31.8	176.7	48.9	0	0	0	0	114.6	S68 F69 S70 D102 T104	S66-S68 VanDerWaalsContact C-N 3.26Å; S66-S68 PolarHBondContact O-N 3.47Å; S66-F69 WeakPolarHBondContact O-CB 3.3Å; S66-F69 PolarHBondContact O-N 3.08Å; S66-F69 VanDerWaalsContact O-N 3.16Å; S66-S70 PolarHBondContact O-N 2.7Å; S66-D102 VanDerWaalsContact CB-OD2 3.24Å; S66-D102 WeakPolarHBondContact CB-OD2 3.49Å; S66-D102 PolarHBondContact N-OD2 3.26Å; S66-D102 VanDerWaalsContact N-OD2 3.1Å; S66-D102 PolarHBondContact OG-OD2 3.45Å; S66-T104 VanDerWaalsContact CB-OG1 3.26Å; S66-T104 WeakPolarHBondContact CB-OG1 3.47Å; S66-T104 PolarHBondContact OG-OG1 2.71Å
67	K	95.5	Very high	96.6	Very high	155 Å²	155	42.8 Å²	42.8	67%	0.674	24%	0.235	S	C	*	.	H	α-helix	trans	-68.6	-27.9	-179.3	-61.6	176.6	-179.8	176.5	0	112.4	D65 F69 S70 S71	D65-K67 PolarHBondContact O-N 3.44Å; D65-K67 WeakPolarHBondContact OD1-CB 3.44Å; D65-K67 PolarHBondContact OD1-N 2.93Å; K67-F69 VanDerWaalsContact C-N 3.29Å; K67-S70 PolarHBondContact O-N 3.28Å; K67-S71 PolarHBondContact O-N 2.82Å; K67-S71 PolarHBondContact O-OG 3.35Å
68	S	95.9	Very high	96.4	Very high	22 Å²	22	43 Å²	43	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-34.8	175.4	74.2	0	0	0	0	111.5	D62 D65 S66 S71 V72	D62-S68 PolarHBondContact N-OG 3.26Å; D62-S68 PolarHBondContact O-OG 3.47Å; D65-S68 WeakPolarHBondContact O-CB 3.42Å; D65-S68 PolarHBondContact O-N 2.92Å; D65-S68 VanDerWaalsContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 2.91Å; S66-S68 VanDerWaalsContact C-N 3.26Å; S66-S68 PolarHBondContact O-N 3.47Å; S68-S71 WeakPolarHBondContact O-CB 3.17Å; S68-S71 PolarHBondContact O-N 3.33Å; S68-V72 PolarHBondContact O-N 3.14Å
69	F	96.9	Very high	96.4	Very high	9 Å²	9	40.4 Å²	40.4	4%	0.039	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-41.8	173.2	-175.2	-108.2	0	0	0	111.4	Y61 S66 K67 S71 V72 Q73 L92 L105 I110 W113	Y61-F69 AromaticContact CD1-CD2 3.91Å; Y61-F69 HydrophobicContact CD1-CD2 3.91Å; Y61-F69 HydrophobicContact CD2-CB 4.14Å; Y61-F69 HydrophobicContact CD2-CD2 4.26Å; Y61-F69 HydrophobicContact CE1-CD2 4.17Å; Y61-F69 HydrophobicContact CG-CB 4.21Å; Y61-F69 AromaticContact CG-CD2 3.94Å; Y61-F69 HydrophobicContact CG-CD2 3.94Å; S66-F69 WeakPolarHBondContact O-CB 3.3Å; S66-F69 PolarHBondContact O-N 3.08Å; S66-F69 VanDerWaalsContact O-N 3.16Å; K67-F69 VanDerWaalsContact C-N 3.29Å; F69-S71 PolarHBondContact O-N 2.88Å; F69-V72 WeakPolarHBondContact O-CB 3.4Å; F69-V72 PolarHBondContact O-N 3.24Å; F69-V72 VanDerWaalsContact O-N 3.09Å; F69-Q73 HydrophobicContact CD1-CG 4.38Å; F69-Q73 HydrophobicContact CE1-CG 4.09Å; F69-Q73 HydrophobicContact CZ-CG 4.35Å; F69-Q73 WeakPolarHBondContact O-CG 3.42Å; F69-Q73 PolarHBondContact O-N 3.42Å; F69-L92 HydrophobicContact CE2-CD2 4.27Å; F69-L105 HydrophobicContact CB-CD2 3.83Å; F69-L105 HydrophobicContact CD1-CD2 4.46Å; F69-L105 HydrophobicContact CG-CD2 4.28Å; F69-I110 HydrophobicContact CD1-CG1 4.38Å; F69-I110 HydrophobicContact CD2-CG1 4.38Å; F69-I110 HydrophobicContact CE1-CG1 3.98Å; F69-I110 HydrophobicContact CE2-CB 4.39Å; F69-I110 HydrophobicContact CE2-CG1 4Å; F69-I110 HydrophobicContact CE2-CG2 3.91Å; F69-I110 HydrophobicContact CZ-CB 4.17Å; F69-I110 HydrophobicContact CZ-CG1 3.78Å; F69-I110 HydrophobicContact CZ-CG2 4.12Å; F69-W113 HydrophobicContact CE2-CD2 4.49Å; F69-W113 AromaticContact CE2-CE3 3.88Å; F69-W113 HydrophobicContact CE2-CE3 3.88Å; F69-W113 HydrophobicContact CE2-CZ3 4.09Å; F69-W113 HydrophobicContact CZ-CB 4.38Å; F69-W113 AromaticContact CZ-CD2 3.84Å; F69-W113 HydrophobicContact CZ-CD2 3.84Å; F69-W113 AromaticContact CZ-CE3 3.61Å; F69-W113 HydrophobicContact CZ-CE3 3.61Å; F69-W113 HydrophobicContact CZ-CG 4.17Å; F69-W113 HydrophobicContact CZ-CZ3 4.25Å
70	S	95.4	Very high	96.3	Very high	61 Å²	61	42.4 Å²	42.4	43%	0.427	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-36.5	173.2	-54.4	0	0	0	0	112.6	S66 K67 Q73 S74	S66-S70 PolarHBondContact O-N 2.7Å; K67-S70 PolarHBondContact O-N 3.28Å; S70-Q73 WeakPolarHBondContact O-CB 3.34Å; S70-Q73 PolarHBondContact O-N 3.4Å; S70-S74 PolarHBondContact O-N 2.73Å; S70-S74 VanDerWaalsContact O-N 3.13Å; S70-S74 PolarHBondContact O-OG 3.24Å
71	S	95.3	Very high	96.2	Very high	40 Å²	40	45.5 Å²	45.5	28%	0.28	24%	0.241	S	C	.	.	H	α-helix	trans	-67.4	-38.9	175.5	-61.4	0	0	0	0	112.1	K67 S68 F69 Q73 S74 L75	K67-S71 PolarHBondContact O-N 2.82Å; K67-S71 PolarHBondContact O-OG 3.35Å; S68-S71 WeakPolarHBondContact O-CB 3.17Å; S68-S71 PolarHBondContact O-N 3.33Å; F69-S71 PolarHBondContact O-N 2.88Å; S71-Q73 VanDerWaalsContact C-N 3.29Å; S71-Q73 PolarHBondContact O-N 3.14Å; S71-S74 PolarHBondContact O-N 2.85Å; S71-L75 WeakPolarHBondContact O-CG 3.42Å; S71-L75 PolarHBondContact O-N 2.96Å
72	V	96.4	Very high	96.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-40.9	170.9	159.9	0	0	0	0	111.6	L59 V60 S68 F69 S74 L75 K76 L92 W113	L59-V72 HydrophobicContact CB-CG1 3.83Å; L59-V72 HydrophobicContact CB-CG2 4.17Å; L59-V72 HydrophobicContact CD1-CG1 4.02Å; V60-V72 WeakPolarHBondContact O-CG2 3.32Å; S68-V72 PolarHBondContact O-N 3.14Å; F69-V72 WeakPolarHBondContact O-CB 3.4Å; F69-V72 PolarHBondContact O-N 3.24Å; F69-V72 VanDerWaalsContact O-N 3.09Å; V72-S74 PolarHBondContact O-N 2.79Å; V72-L75 PolarHBondContact O-N 3.37Å; V72-K76 WeakPolarHBondContact O-CB 3.32Å; V72-K76 PolarHBondContact O-N 3.06Å; V72-L92 HydrophobicContact CG1-CD1 3.7Å; V72-W113 HydrophobicContact CG1-CH2 3.74Å; V72-W113 HydrophobicContact CG1-CZ3 4.22Å
73	Q	96.7	Very high	96	Very high	46 Å²	46	48.5 Å²	48.5	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-42.7	176.9	-61.6	177.6	-58.4	0	0	111.6	F69 S70 S71 K76 Q77 W113	F69-Q73 HydrophobicContact CD1-CG 4.38Å; F69-Q73 HydrophobicContact CE1-CG 4.09Å; F69-Q73 HydrophobicContact CZ-CG 4.35Å; F69-Q73 WeakPolarHBondContact O-CG 3.42Å; F69-Q73 PolarHBondContact O-N 3.42Å; S70-Q73 WeakPolarHBondContact O-CB 3.34Å; S70-Q73 PolarHBondContact O-N 3.4Å; S71-Q73 VanDerWaalsContact C-N 3.29Å; S71-Q73 PolarHBondContact O-N 3.14Å; Q73-K76 PolarHBondContact O-N 2.7Å; Q73-Q77 WeakPolarHBondContact O-CG 3.18Å; Q73-Q77 PolarHBondContact O-N 2.86Å; Q73-Q77 VanDerWaalsContact O-N 3.15Å; Q73-W113 HydrophobicContact CB-CZ2 4.22Å; Q73-W113 HydrophobicContact CG-CD2 4.28Å; Q73-W113 HydrophobicContact CG-CZ2 3.83Å
74	S	95.7	Very high	95.5	Very high	54 Å²	54	54.2 Å²	54.2	38%	0.378	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-43.9	174.8	-59	0	0	0	0	112.6	S70 S71 V72 K76 Q77 D78	S70-S74 PolarHBondContact O-N 2.73Å; S70-S74 VanDerWaalsContact O-N 3.13Å; S70-S74 PolarHBondContact O-OG 3.24Å; S71-S74 PolarHBondContact O-N 2.85Å; V72-S74 PolarHBondContact O-N 2.79Å; S74-K76 VanDerWaalsContact C-N 3.31Å; S74-K76 PolarHBondContact O-N 3.46Å; S74-Q77 WeakPolarHBondContact O-CB 3.37Å; S74-Q77 PolarHBondContact O-N 3.32Å; S74-Q77 VanDerWaalsContact O-N 3.14Å; S74-D78 PolarHBondContact O-N 3.35Å; S74-D78 VanDerWaalsContact O-N 3.09Å
75	L	96.2	Very high	95	Very high	30 Å²	30	62.5 Å²	62.5	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-39.2	176.6	-71.3	170.4	0	0	0	112	L46 L59 S71 V72 Q77 D78 I79	L46-L75 HydrophobicContact CB-CD2 4Å; L59-L75 HydrophobicContact CD2-CB 4.17Å; S71-L75 WeakPolarHBondContact O-CG 3.42Å; S71-L75 PolarHBondContact O-N 2.96Å; V72-L75 PolarHBondContact O-N 3.37Å; L75-Q77 VanDerWaalsContact C-N 3.32Å; L75-Q77 PolarHBondContact O-N 3.49Å; L75-D78 PolarHBondContact O-N 3.1Å; L75-I79 WeakPolarHBondContact O-CG1 3.25Å; L75-I79 PolarHBondContact O-N 2.91Å
76	K	96.6	Very high	94.8	Very high	1 Å²	1	63.9 Å²	63.9	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-39.1	174.8	178.4	54.1	170.2	57.2	0	112.1	L59 V72 Q73 S74 D78 I79 D80 I90 W113 E117	L59-K76 HydrophobicContact CD1-CB 4.03Å; L59-K76 HydrophobicContact CD1-CD 4.5Å; V72-K76 WeakPolarHBondContact O-CB 3.32Å; V72-K76 PolarHBondContact O-N 3.06Å; Q73-K76 PolarHBondContact O-N 2.7Å; S74-K76 VanDerWaalsContact C-N 3.31Å; S74-K76 PolarHBondContact O-N 3.46Å; K76-D78 VanDerWaalsContact C-N 3.35Å; K76-I79 PolarHBondContact O-N 3.48Å; K76-D80 WeakPolarHBondContact CE-OD1 3.33Å; K76-D80 IonicContact NZ-OD1 2.67Å; K76-D80 PolarHBondContact NZ-OD1 2.78Å; K76-D80 IonicContact NZ-OD2 2.95Å; K76-D80 PolarHBondContact NZ-OD2 3.45Å; K76-D80 PolarHBondContact O-N 3.2Å; K76-I90 HydrophobicContact CD-CD1 3.75Å; K76-I90 HydrophobicContact CD-CG2 4.43Å; K76-I90 VanDerWaalsContact CE-CD1 3.46Å; K76-W113 HydrophobicContact CB-CH2 4.23Å; K76-W113 HydrophobicContact CB-CZ2 3.93Å; K76-W113 HydrophobicContact CG-CH2 4.34Å; K76-W113 HydrophobicContact CG-CZ2 4Å; K76-E117 WeakPolarHBondContact CE-O 3.46Å; K76-E117 HydrophobicContact CG-CB 4.3Å; K76-E117 HydrophobicContact CG-CG 4.28Å; K76-E117 WeakPolarHBondContact CG-OE2 3.34Å; K76-E117 PolarHBondContact NZ-O 3Å; K76-E117 IonicContact NZ-OE2 2.77Å; K76-E117 PolarHBondContact NZ-OE2 3.26Å
77	Q	95.5	Very high	94.5	Very high	129 Å²	129	69.8 Å²	69.8	60%	0.603	34%	0.338	S	S	*	.	H	α-helix	trans	-63.1	-40.9	174.4	-69	171.7	-7.2	0	0	111.9	Q73 S74 L75 D80 K81	Q73-Q77 WeakPolarHBondContact O-CG 3.18Å; Q73-Q77 PolarHBondContact O-N 2.86Å; Q73-Q77 VanDerWaalsContact O-N 3.15Å; S74-Q77 WeakPolarHBondContact O-CB 3.37Å; S74-Q77 PolarHBondContact O-N 3.32Å; S74-Q77 VanDerWaalsContact O-N 3.14Å; L75-Q77 VanDerWaalsContact C-N 3.32Å; L75-Q77 PolarHBondContact O-N 3.49Å; Q77-D80 PolarHBondContact O-N 2.86Å; Q77-K81 WeakPolarHBondContact O-CB 3.27Å; Q77-K81 PolarHBondContact O-N 2.83Å
78	D	94.9	Very high	94.4	Very high	25 Å²	25	62.8 Å²	62.8	13%	0.134	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-44.4	174	-75.5	-24.5	0	0	0	111.6	K45 L46 S74 L75 K76 D80 K81 Y82	K45-D78 WeakPolarHBondContact CA-OD2 3.15Å; L46-D78 HydrophobicContact CB-CB 3.84Å; L46-D78 PolarHBondContact N-OD2 2.77Å; S74-D78 PolarHBondContact O-N 3.35Å; S74-D78 VanDerWaalsContact O-N 3.09Å; L75-D78 PolarHBondContact O-N 3.1Å; K76-D78 VanDerWaalsContact C-N 3.35Å; D78-D80 VanDerWaalsContact C-N 3.34Å; D78-D80 PolarHBondContact O-N 2.99Å; D78-K81 WeakPolarHBondContact O-CB 3.4Å; D78-K81 PolarHBondContact O-N 2.83Å; D78-Y82 HydrophobicContact CB-CD2 4.23Å; D78-Y82 HydrophobicContact CB-CE2 4.05Å; D78-Y82 WeakPolarHBondContact O-CD2 3.36Å; D78-Y82 PolarHBondContact O-N 3.03Å
79	I	96.3	Very high	94.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-49.1	175.3	-67.4	165.1	0	0	0	110.4	L46 V51 F57 L59 L75 K76 K81 Y82 R83 L88 I90	L46-I79 HydrophobicContact CD2-CD1 4.21Å; L46-I79 HydrophobicContact CD2-CG1 3.4Å; L46-I79 VanDerWaalsContact CD2-CG1 3.4Å; V51-I79 HydrophobicContact CG1-CG2 4.48Å; V51-I79 HydrophobicContact CG2-CG1 4.33Å; F57-I79 HydrophobicContact CB-CD1 3.94Å; F57-I79 HydrophobicContact CD1-CD1 3.7Å; F57-I79 HydrophobicContact CD1-CG1 4.3Å; F57-I79 HydrophobicContact CD2-CD1 3.84Å; F57-I79 HydrophobicContact CD2-CG1 4.18Å; F57-I79 HydrophobicContact CD2-CG2 4.25Å; F57-I79 HydrophobicContact CE1-CD1 4.18Å; F57-I79 HydrophobicContact CE1-CG1 4.29Å; F57-I79 HydrophobicContact CE2-CD1 4.3Å; F57-I79 HydrophobicContact CE2-CG1 4.17Å; F57-I79 HydrophobicContact CE2-CG2 4.32Å; F57-I79 HydrophobicContact CG-CD1 3.52Å; F57-I79 HydrophobicContact CG-CG1 4.26Å; F57-I79 HydrophobicContact CZ-CD1 4.47Å; F57-I79 HydrophobicContact CZ-CG1 4.23Å; L59-I79 HydrophobicContact CD1-CD1 4.39Å; L59-I79 HydrophobicContact CD2-CD1 3.97Å; L75-I79 WeakPolarHBondContact O-CG1 3.25Å; L75-I79 PolarHBondContact O-N 2.91Å; K76-I79 PolarHBondContact O-N 3.48Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 2.83Å; I79-Y82 PolarHBondContact O-N 2.77Å; I79-R83 VanDerWaalsContact O-CB 3.26Å; I79-R83 WeakPolarHBondContact O-CB 3.4Å; I79-R83 WeakPolarHBondContact O-CG 3.4Å; I79-R83 PolarHBondContact O-N 3.13Å; I79-L88 HydrophobicContact CG2-CD1 3.96Å; I79-I90 HydrophobicContact CG2-CD1 3.89Å
80	D	95.1	Very high	94.5	Very high	51 Å²	51	62.4 Å²	62.4	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-64.7	-35.6	-178.3	-82.1	18.3	0	0	0	112.5	K76 Q77 D78 R83	K76-D80 WeakPolarHBondContact CE-OD1 3.33Å; K76-D80 IonicContact NZ-OD1 2.67Å; K76-D80 PolarHBondContact NZ-OD1 2.78Å; K76-D80 IonicContact NZ-OD2 2.95Å; K76-D80 PolarHBondContact NZ-OD2 3.45Å; K76-D80 PolarHBondContact O-N 3.2Å; Q77-D80 PolarHBondContact O-N 2.86Å; D78-D80 VanDerWaalsContact C-N 3.34Å; D78-D80 PolarHBondContact O-N 2.99Å; D80-R83 VanDerWaalsContact CG-CZ 3.47Å; D80-R83 IonicContact OD1-CZ 2.99Å; D80-R83 IonicContact OD1-NE 3.57Å; D80-R83 IonicContact OD1-NH1 3.02Å; D80-R83 PolarHBondContact OD1-NH1 3.02Å; D80-R83 IonicContact OD1-NH2 3.13Å; D80-R83 PolarHBondContact OD1-NH2 3.18Å; D80-R83 VanDerWaalsContact OD1-NH2 3.13Å; D80-R83 IonicContact OD2-CZ 3.72Å; D80-R83 IonicContact OD2-NH2 3.03Å; D80-R83 PolarHBondContact OD2-NH2 3.22Å
81	K	94.9	Very high	94.6	Very high	142 Å²	142	59.5 Å²	59.5	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-65.1	-39.2	174.2	179.1	-177.3	178.1	-176.3	0	112.4	Q77 D78 I79	Q77-K81 WeakPolarHBondContact O-CB 3.27Å; Q77-K81 PolarHBondContact O-N 2.83Å; D78-K81 WeakPolarHBondContact O-CB 3.4Å; D78-K81 PolarHBondContact O-N 2.83Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 2.83Å
82	Y	95.7	Very high	94.8	Very high	40 Å²	40	57.6 Å²	57.6	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-97.6	-20.8	-171.6	-64.4	-50.2	0	0	0	114.7	L46 K48 V51 D78 I79 E84	L46-Y82 VanDerWaalsContact O-CE2 3.23Å; L46-Y82 WeakPolarHBondContact O-CE2 3.3Å; K48-Y82 HydrophobicContact CB-CD1 3.63Å; K48-Y82 HydrophobicContact CB-CD2 4.42Å; K48-Y82 HydrophobicContact CB-CE1 3.92Å; K48-Y82 HydrophobicContact CB-CG 3.91Å; K48-Y82 HydrophobicContact CD-CD1 4.03Å; K48-Y82 HydrophobicContact CG-CD1 3.7Å; K48-Y82 HydrophobicContact CG-CE1 4.41Å; K48-Y82 HydrophobicContact CG-CG 4.03Å; V51-Y82 HydrophobicContact CG2-CD2 4.19Å; V51-Y82 HydrophobicContact CG2-CG 4.5Å; D78-Y82 HydrophobicContact CB-CD2 4.23Å; D78-Y82 HydrophobicContact CB-CE2 4.05Å; D78-Y82 WeakPolarHBondContact O-CD2 3.36Å; D78-Y82 PolarHBondContact O-N 3.03Å; I79-Y82 PolarHBondContact O-N 2.77Å; Y82-E84 PolarHBondContact O-N 3.42Å
83	R	93.9	Very high	94.8	Very high	57 Å²	57	57.6 Å²	57.6	22%	0.215	27%	0.272	C	S	.	.			trans	-68.8	-16.2	-176.9	72.6	178	178.5	-159	-14.8	114.4	V51 I79 D80 K85 R86 L88	V51-R83 HydrophobicContact CG1-CB 4Å; I79-R83 VanDerWaalsContact O-CB 3.26Å; I79-R83 WeakPolarHBondContact O-CB 3.4Å; I79-R83 WeakPolarHBondContact O-CG 3.4Å; I79-R83 PolarHBondContact O-N 3.13Å; D80-R83 VanDerWaalsContact CG-CZ 3.47Å; D80-R83 IonicContact OD1-CZ 2.99Å; D80-R83 IonicContact OD1-NE 3.57Å; D80-R83 IonicContact OD1-NH1 3.02Å; D80-R83 PolarHBondContact OD1-NH1 3.02Å; D80-R83 IonicContact OD1-NH2 3.13Å; D80-R83 PolarHBondContact OD1-NH2 3.18Å; D80-R83 VanDerWaalsContact OD1-NH2 3.13Å; D80-R83 IonicContact OD2-CZ 3.72Å; D80-R83 IonicContact OD2-NH2 3.03Å; D80-R83 PolarHBondContact OD2-NH2 3.22Å; R83-K85 PolarHBondContact O-N 2.88Å; R83-K85 VanDerWaalsContact O-N 3.08Å; R83-R86 WeakPolarHBondContact O-CB 3.38Å; R83-R86 PolarHBondContact O-N 2.82Å; R83-L88 HydrophobicContact CB-CD1 3.57Å; R83-L88 HydrophobicContact CB-CG 4.35Å
84	E	88.3	Confident	94.9	Very high	138 Å²	138	55.5 Å²	55.5	65%	0.645	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-111.3	-176.6	-61.2	174.2	-168.9	0	0	111.3	K48 Y82	K48-E84 IonicContact NZ-OE1 2.84Å; K48-E84 PolarHBondContact NZ-OE1 2.88Å; Y82-E84 PolarHBondContact O-N 3.42Å
85	K	88	Confident	95	Very high	216 Å²	216	54.5 Å²	54.5	94%	0.939	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	4.6	177.9	-63.1	-178.1	-178.5	177	0	113.8	R83	R83-K85 PolarHBondContact O-N 2.88Å; R83-K85 VanDerWaalsContact O-N 3.08Å
86	R	91.9	Very high	95.1	Very high	93 Å²	93	55.1 Å²	55.1	35%	0.351	25%	0.254	S	S	.	.			trans	-73.1	132.7	-178.8	-65.6	179.9	65.6	-136.8	-1.4	110.1	V51 N52 A54 R83 L88	V51-R86 PolarHBondContact O-NH1 3.19Å; N52-R86 PolarHBondContact O-NH1 3.39Å; A54-R86 PolarHBondContact O-NH1 3.47Å; A54-R86 PolarHBondContact O-NH2 3.23Å; R83-R86 WeakPolarHBondContact O-CB 3.38Å; R83-R86 PolarHBondContact O-N 2.82Å; R86-L88 HydrophobicContact CB-CG 4.44Å; R86-L88 PolarHBondContact O-N 3.24Å
87	D	89.2	Confident	95.1	Very high	154 Å²	154	57.7 Å²	57.7	82%	0.824	27%	0.269	S	S	*	.			trans	-82	111.2	168.3	-169.6	21.4	0	0	0	108.6
88	L	94	Very high	95.2	Very high	9 Å²	9	55 Å²	55	5%	0.047	26%	0.259	C	S	.	.			trans	-111	131	-178	-69.7	175.3	0	0	0	109.4	V51 A54 F57 I79 R83 R86 I90	V51-L88 HydrophobicContact CG1-CD1 3.86Å; A54-L88 VanDerWaalsContact O-CD2 3.25Å; A54-L88 WeakPolarHBondContact O-CD2 3.48Å; F57-L88 HydrophobicContact CD2-CD1 4.26Å; F57-L88 HydrophobicContact CE2-CD1 3.95Å; I79-L88 HydrophobicContact CG2-CD1 3.96Å; R83-L88 HydrophobicContact CB-CD1 3.57Å; R83-L88 HydrophobicContact CB-CG 4.35Å; R86-L88 HydrophobicContact CB-CG 4.44Å; R86-L88 PolarHBondContact O-N 3.24Å; L88-I90 HydrophobicContact CB-CG1 4.48Å; L88-I90 PolarHBondContact O-N 3.47Å
89	C	96.4	Very high	95.3	Very high	19 Å²	19	57.6 Å²	57.6	13%	0.128	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.1	173.3	-177.9	0	0	0	0	109.6	A56 F57 I144	A56-C89 CarbonylContact C-O 3.6Å; A56-C89 WeakPolarHBondContact CA-O 3.24Å; A56-C89 HydrophobicContact CB-CB 4.03Å; A56-C89 WeakPolarHBondContact CB-O 3.45Å; F57-C89 PolarHBondContact N-O 3.34Å; C89-I144 HydrophobicContact CB-CG2 3.52Å
90	I	97.6	Very high	95.4	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.6	179.6	-58.7	170.6	0	0	0	108.5	F57 L59 K76 I79 L88 A120	F57-I90 HydrophobicContact CB-CG1 4.41Å; F57-I90 WeakPolarHBondContact O-CA 3.44Å; L59-I90 HydrophobicContact CD1-CG2 3.83Å; L59-I90 HydrophobicContact CG-CG2 4.28Å; K76-I90 HydrophobicContact CD-CD1 3.75Å; K76-I90 HydrophobicContact CD-CG2 4.43Å; K76-I90 VanDerWaalsContact CE-CD1 3.46Å; I79-I90 HydrophobicContact CG2-CD1 3.89Å; L88-I90 HydrophobicContact CB-CG1 4.48Å; L88-I90 PolarHBondContact O-N 3.47Å; I90-A120 WeakPolarHBondContact O-CB 3.23Å; I90-A120 PolarHBondContact O-N 3.11Å
91	V	98.2	Very high	95.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.1	-179.5	-177.9	0	0	0	0	108.8	F57 I58 L59 N121 F123 L136 W139 T140	F57-V91 PolarHBondContact O-N 3.01Å; I58-V91 CarbonylContact C-O 3.54Å; I58-V91 WeakPolarHBondContact CA-O 3.49Å; L59-V91 PolarHBondContact N-O 3.35Å; V91-N121 WeakPolarHBondContact CG1-O 3.13Å; V91-F123 HydrophobicContact CG1-CD2 3.51Å; V91-F123 HydrophobicContact CG1-CE2 3.71Å; V91-L136 HydrophobicContact CB-CD1 4.5Å; V91-L136 HydrophobicContact CG1-CD1 3.53Å; V91-W139 HydrophobicContact CG2-CE3 4.04Å; V91-W139 HydrophobicContact CG2-CZ3 3.57Å; V91-T140 HydrophobicContact CG2-CG2 4.32Å
92	L	98.5	Very high	95.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.8	174.7	-174.6	67.7	0	0	0	109.7	L59 Y61 F69 V72 I110 W113 V119 N121 I122 F123	L59-L92 HydrophobicContact CB-CD1 4.23Å; L59-L92 CarbonylContact O-C 3.36Å; L59-L92 WeakPolarHBondContact O-CA 3.22Å; Y61-L92 HydrophobicContact CD1-CD1 3.74Å; Y61-L92 HydrophobicContact CD1-CD2 4.37Å; Y61-L92 HydrophobicContact CD1-CG 4.07Å; Y61-L92 HydrophobicContact CE1-CD1 4.01Å; Y61-L92 HydrophobicContact CE1-CD2 3.82Å; Y61-L92 HydrophobicContact CE1-CG 3.83Å; F69-L92 HydrophobicContact CE2-CD2 4.27Å; V72-L92 HydrophobicContact CG1-CD1 3.7Å; L92-I110 HydrophobicContact CD2-CG2 4.03Å; L92-W113 HydrophobicContact CD1-CZ3 4.38Å; L92-W113 HydrophobicContact CD2-CZ3 4.25Å; L92-V119 HydrophobicContact CB-CG1 3.74Å; L92-N121 PolarHBondContact N-O 3.07Å; L92-I122 HydrophobicContact CB-CG1 4.24Å; L92-I122 HydrophobicContact CB-CG2 4.38Å; L92-I122 HydrophobicContact CD2-CD1 4.37Å; L92-I122 HydrophobicContact CD2-CG1 4.33Å; L92-I122 HydrophobicContact CD2-CG2 4.26Å; L92-I122 HydrophobicContact CG-CG2 4.44Å; L92-I122 CarbonylContact O-C 3.6Å; L92-I122 VanDerWaalsContact O-CA 3.3Å; L92-I122 WeakPolarHBondContact O-CA 3.44Å; L92-F123 PolarHBondContact O-N 3.38Å
93	S	98.2	Very high	95.7	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.4	173.2	-175.1	0	0	0	0	109.8	L59 V60 Y61 H95 F123 T125	L59-S93 PolarHBondContact O-N 3.47Å; V60-S93 WeakPolarHBondContact CA-O 3.42Å; Y61-S93 PolarHBondContact N-O 2.81Å; S93-H95 PolarHBondContact O-N 2.91Å; S93-F123 CarbonylContact C-O 3.49Å; S93-F123 WeakPolarHBondContact CA-O 3.38Å; S93-T125 PolarHBondContact OG-OG1 3.03Å
94	C	98.2	Very high	95.9	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	101	164.7	176.7	0	0	0	0	108.3	Y61 I63 V97 F123 E124 T125	Y61-C94 HydrophobicContact CE1-CB 3.75Å; Y61-C94 HydrophobicContact CE2-CB 4.26Å; Y61-C94 VanDerWaalsContact OH-CB 3.29Å; Y61-C94 WeakPolarHBondContact OH-CB 3.26Å; Y61-C94 PolarHBondContact OH-SG 3.34Å; Y61-C94 VanDerWaalsContact OH-SG 3.42Å; I63-C94 VanDerWaalsContact CD1-SG 3.57Å; C94-V97 WeakPolarHBondContact O-CG1 3.38Å; C94-F123 PolarHBondContact N-O 2.89Å; C94-E124 HydrophobicContact CB-CG 4.24Å; C94-E124 CarbonylContact O-C 3.58Å; C94-E124 WeakPolarHBondContact O-CA 3.46Å; C94-T125 PolarHBondContact O-N 3.21Å
95	H	97.8	Very high	96.3	Very high	34 Å²	34	59.3 Å²	59.3	16%	0.157	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	161.1	-174	-162.7	55.2	0	0	0	112.7	V60 Y61 I63 S93 V97 T125	V60-H95 HydrophobicContact CG1-CB 3.56Å; Y61-H95 WeakPolarHBondContact O-CA 3.33Å; Y61-H95 WeakPolarHBondContact O-CB 3.42Å; Y61-H95 PolarHBondContact O-N 3.01Å; I63-H95 PolarHBondContact N-O 2.84Å; S93-H95 PolarHBondContact O-N 2.91Å; H95-V97 VanDerWaalsContact C-N 3.34Å; H95-V97 PolarHBondContact O-N 3.05Å; H95-T125 CarbonylContact C-O 3.53Å; H95-T125 VanDerWaalsContact CA-O 3.31Å; H95-T125 WeakPolarHBondContact CA-O 3.09Å; H95-T125 PolarHBondContact ND1-O 3.5Å; H95-T125 PolarHBondContact ND1-OG1 3.1Å
96	K	97.5	Very high	96.6	Very high	43 Å²	43	52.7 Å²	52.7	19%	0.187	29%	0.29	C	S	.	.			trans	58.4	39.8	-179.5	-46.8	-168.9	-162.1	153.4	0	113.6	D62 I63 D98 K99 T125	D62-K96 WeakPolarHBondContact OD2-CD 3.34Å; D62-K96 VanDerWaalsContact OD2-CE 3.24Å; D62-K96 WeakPolarHBondContact OD2-CE 3.34Å; D62-K96 IonicContact OD2-NZ 2.68Å; D62-K96 PolarHBondContact OD2-NZ 3.2Å; I63-K96 WeakPolarHBondContact CG2-O 3.25Å; K96-D98 VanDerWaalsContact C-OD1 3.26Å; K96-D98 VanDerWaalsContact CA-OD1 3.27Å; K96-D98 WeakPolarHBondContact CA-OD1 3.41Å; K96-D98 PolarHBondContact O-N 3.1Å; K96-K99 HydrophobicContact CB-CD 4.06Å; K96-K99 HydrophobicContact CB-CG 4.17Å; K96-K99 HydrophobicContact CD-CD 4.11Å; K96-K99 WeakPolarHBondContact O-CB 3.35Å; K96-K99 PolarHBondContact O-N 2.68Å; K96-T125 PolarHBondContact N-O 2.85Å
97	V	97.4	Very high	96.8	Very high	54 Å²	54	51.7 Å²	51.7	33%	0.327	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-7.2	177.4	-62.7	0	0	0	0	114.6	C94 H95 E124 T125 T126	C94-V97 WeakPolarHBondContact O-CG1 3.38Å; H95-V97 VanDerWaalsContact C-N 3.34Å; H95-V97 PolarHBondContact O-N 3.05Å; V97-E124 HydrophobicContact CG1-CB 3.83Å; V97-E124 HydrophobicContact CG1-CG 4.01Å; V97-E124 HydrophobicContact CG2-CB 4.38Å; V97-T125 PolarHBondContact N-O 3.28Å; V97-T126 HydrophobicContact CG2-CG2 4.28Å
98	D	97.1	Very high	97.2	Very high	74 Å²	74	46.9 Å²	46.9	40%	0.396	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.3	165.6	58.8	-76.4	0	0	0	114.1	K96 T126 Y128	K96-D98 VanDerWaalsContact C-OD1 3.26Å; K96-D98 VanDerWaalsContact CA-OD1 3.27Å; K96-D98 WeakPolarHBondContact CA-OD1 3.41Å; K96-D98 PolarHBondContact O-N 3.1Å; D98-T126 WeakPolarHBondContact OD1-CB 3.48Å; D98-T126 PolarHBondContact OD1-OG1 3.12Å; D98-Y128 HydrophobicContact CB-CD2 4.1Å; D98-Y128 HydrophobicContact CB-CE2 4.46Å; D98-Y128 VanDerWaalsContact OD2-CE2 3.3Å; D98-Y128 WeakPolarHBondContact OD2-CE2 3.28Å
99	K	97.2	Very high	97.3	Very high	78 Å²	78	50.9 Å²	50.9	34%	0.339	30%	0.298	S	S	.	.	S	Bend	trans	-99.4	155.3	-179.5	-64.1	-170.3	177.5	-171.7	0	112.5	I63 K96 K101	I63-K99 HydrophobicContact CG2-CB 4.48Å; K96-K99 HydrophobicContact CB-CD 4.06Å; K96-K99 HydrophobicContact CB-CG 4.17Å; K96-K99 HydrophobicContact CD-CD 4.11Å; K96-K99 WeakPolarHBondContact O-CB 3.35Å; K96-K99 PolarHBondContact O-N 2.68Å; K99-K101 PolarHBondContact O-N 3.46Å
100	P	97.5	Very high	97.3	Very high	117 Å²	117	50.5 Å²	50.5	76%	0.76	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-57	131.7	171.2	-23.3	34	0	0	0	111.6	S64	S64-P100 WeakPolarHBondContact CB-O 3.31Å
101	K	98	Very high	97.3	Very high	101 Å²	101	52.8 Å²	52.8	44%	0.439	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64.5	135	175.3	-177.4	176	77.4	145.4	0	110.7	I63 K99 A103 L105 S107	I63-K101 HydrophobicContact CD1-CB 4.2Å; I63-K101 HydrophobicContact CD1-CD 3.73Å; I63-K101 HydrophobicContact CD1-CG 3.57Å; I63-K101 HydrophobicContact CG1-CB 3.89Å; I63-K101 HydrophobicContact CG1-CD 4.37Å; I63-K101 HydrophobicContact CG1-CG 3.82Å; I63-K101 CarbonylContact O-C 3.56Å; I63-K101 VanDerWaalsContact O-CA 3.31Å; I63-K101 WeakPolarHBondContact O-CA 3.13Å; K99-K101 PolarHBondContact O-N 3.46Å; K101-A103 PolarHBondContact O-N 3.27Å; K101-L105 HydrophobicContact CG-CB 4.38Å; K101-L105 PolarHBondContact NZ-O 2.95Å; K101-S107 PolarHBondContact NZ-OG 2.89Å
102	D	97.8	Very high	97.3	Very high	40 Å²	40	60.3 Å²	60.3	21%	0.214	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-59.1	121.5	167.1	-175.8	-26.8	0	0	0	109	I63 S66 T104 L105	I63-D102 PolarHBondContact O-N 3.26Å; S66-D102 VanDerWaalsContact CB-OD2 3.24Å; S66-D102 WeakPolarHBondContact CB-OD2 3.49Å; S66-D102 PolarHBondContact N-OD2 3.26Å; S66-D102 VanDerWaalsContact N-OD2 3.1Å; S66-D102 PolarHBondContact OG-OD2 3.45Å; D102-T104 PolarHBondContact O-N 3.08Å; D102-T104 WeakPolarHBondContact OD1-CB 3.29Å; D102-T104 PolarHBondContact OD1-N 2.98Å; D102-T104 PolarHBondContact OD1-OG1 3.24Å; D102-T104 PolarHBondContact OD2-OG1 3.36Å; D102-L105 HydrophobicContact CB-CD1 4.09Å; D102-L105 HydrophobicContact CB-CG 4.19Å; D102-L105 WeakPolarHBondContact O-CB 3.46Å; D102-L105 PolarHBondContact O-N 3.39Å
103	A	97.1	Very high	97.3	Very high	101 Å²	101	61.6 Å²	61.6	84%	0.835	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.7	-176.7	0	0	0	0	0	113.4	K101	K101-A103 PolarHBondContact O-N 3.27Å
104	T	97.2	Very high	97.3	Very high	98 Å²	98	61.8 Å²	61.8	60%	0.601	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.3	176.7	66.4	0	0	0	0	113.6	S66 D102 D106	S66-T104 VanDerWaalsContact CB-OG1 3.26Å; S66-T104 WeakPolarHBondContact CB-OG1 3.47Å; S66-T104 PolarHBondContact OG-OG1 2.71Å; D102-T104 PolarHBondContact O-N 3.08Å; D102-T104 WeakPolarHBondContact OD1-CB 3.29Å; D102-T104 PolarHBondContact OD1-N 2.98Å; D102-T104 PolarHBondContact OD1-OG1 3.24Å; D102-T104 PolarHBondContact OD2-OG1 3.36Å; T104-D106 PolarHBondContact O-N 3.29Å
105	L	96.9	Very high	97.2	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.042	38%	0.376	C	S	.	.			trans	-79.9	99.9	172.7	-77.2	174.5	0	0	0	111	Y61 I63 F69 K101 D102 S107 I110	Y61-L105 HydrophobicContact CD2-CD1 4.45Å; Y61-L105 HydrophobicContact CE2-CD1 4.28Å; I63-L105 HydrophobicContact CD1-CD1 4.37Å; I63-L105 WeakPolarHBondContact O-CD1 3.19Å; F69-L105 HydrophobicContact CB-CD2 3.83Å; F69-L105 HydrophobicContact CD1-CD2 4.46Å; F69-L105 HydrophobicContact CG-CD2 4.28Å; K101-L105 HydrophobicContact CG-CB 4.38Å; K101-L105 PolarHBondContact NZ-O 2.95Å; D102-L105 HydrophobicContact CB-CD1 4.09Å; D102-L105 HydrophobicContact CB-CG 4.19Å; D102-L105 WeakPolarHBondContact O-CB 3.46Å; D102-L105 PolarHBondContact O-N 3.39Å; L105-S107 PolarHBondContact O-N 2.89Å; L105-I110 HydrophobicContact CB-CD1 4.44Å; L105-I110 HydrophobicContact CD2-CD1 4.22Å
106	D	95.9	Very high	97.2	Very high	76 Å²	76	70.6 Å²	70.6	41%	0.406	40%	0.395	S	S	.	.			trans	-81	113.9	174.3	-178	4	0	0	0	111.6	T104 A108 E109 I110	T104-D106 PolarHBondContact O-N 3.29Å; D106-A108 PolarHBondContact O-N 3.39Å; D106-A108 WeakPolarHBondContact OD1-CB 3.43Å; D106-A108 PolarHBondContact OD1-N 3.04Å; D106-E109 HydrophobicContact CB-CB 3.92Å; D106-E109 WeakPolarHBondContact O-CB 3.43Å; D106-E109 PolarHBondContact O-N 2.68Å; D106-E109 VanDerWaalsContact O-N 3.12Å; D106-I110 WeakPolarHBondContact O-CG1 3.27Å; D106-I110 PolarHBondContact O-N 2.77Å
107	S	95.4	Very high	97.2	Very high	72 Å²	72	71 Å²	71	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-31.1	177.6	-57.1	0	0	0	0	112.9	K101 L105 S111	K101-S107 PolarHBondContact NZ-OG 2.89Å; L105-S107 PolarHBondContact O-N 2.89Å; S107-S111 WeakPolarHBondContact O-CB 3.31Å; S107-S111 PolarHBondContact O-N 2.92Å
108	A	96.6	Very high	97.1	Very high	54 Å²	54	76.3 Å²	76.3	45%	0.446	42%	0.416	S	S	.	.	H	α-helix	trans	-72.9	-34.3	176.6	0	0	0	0	0	111.8	D106 R112	D106-A108 PolarHBondContact O-N 3.39Å; D106-A108 WeakPolarHBondContact OD1-CB 3.43Å; D106-A108 PolarHBondContact OD1-N 3.04Å; A108-R112 WeakPolarHBondContact O-CB 3.45Å; A108-R112 VanDerWaalsContact O-CG 3.3Å; A108-R112 WeakPolarHBondContact O-CG 3.31Å; A108-R112 PolarHBondContact O-N 2.86Å; A108-R112 VanDerWaalsContact O-N 3.1Å; A108-R112 PolarHBondContact O-NE 3.42Å
109	E	96.4	Very high	97.2	Very high	93 Å²	93	73.8 Å²	73.8	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-67.3	-47.5	171.8	-172.3	179.8	170.1	0	0	111.4	D106 S111 R112 W113	D106-E109 HydrophobicContact CB-CB 3.92Å; D106-E109 WeakPolarHBondContact O-CB 3.43Å; D106-E109 PolarHBondContact O-N 2.68Å; D106-E109 VanDerWaalsContact O-N 3.12Å; E109-S111 VanDerWaalsContact C-N 3.31Å; E109-S111 PolarHBondContact O-N 3.34Å; E109-R112 PolarHBondContact O-N 3.39Å; E109-W113 WeakPolarHBondContact O-CB 3.3Å; E109-W113 PolarHBondContact O-N 2.84Å
110	I	97.4	Very high	97.2	Very high	11 Å²	11	72.3 Å²	72.3	6%	0.056	41%	0.406	C	S	.	.	H	α-helix	trans	-59	-43.3	178.3	-63.7	166.1	0	0	0	110.9	Y61 F69 L92 L105 D106 W113 S114	Y61-I110 HydrophobicContact CE2-CD1 4.29Å; F69-I110 HydrophobicContact CD1-CG1 4.38Å; F69-I110 HydrophobicContact CD2-CG1 4.38Å; F69-I110 HydrophobicContact CE1-CG1 3.98Å; F69-I110 HydrophobicContact CE2-CB 4.39Å; F69-I110 HydrophobicContact CE2-CG1 4Å; F69-I110 HydrophobicContact CE2-CG2 3.91Å; F69-I110 HydrophobicContact CZ-CB 4.17Å; F69-I110 HydrophobicContact CZ-CG1 3.78Å; F69-I110 HydrophobicContact CZ-CG2 4.12Å; L92-I110 HydrophobicContact CD2-CG2 4.03Å; L105-I110 HydrophobicContact CB-CD1 4.44Å; L105-I110 HydrophobicContact CD2-CD1 4.22Å; D106-I110 WeakPolarHBondContact O-CG1 3.27Å; D106-I110 PolarHBondContact O-N 2.77Å; I110-W113 PolarHBondContact O-N 2.58Å; I110-S114 VanDerWaalsContact O-CB 3.28Å; I110-S114 WeakPolarHBondContact O-CB 3.38Å; I110-S114 PolarHBondContact O-N 3Å; I110-S114 PolarHBondContact O-OG 2.94Å
111	S	96.9	Very high	97.2	Very high	51 Å²	51	69.3 Å²	69.3	36%	0.357	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-45.8	177.3	-176.9	0	0	0	0	112	S107 E109 S114 Q115	S107-S111 WeakPolarHBondContact O-CB 3.31Å; S107-S111 PolarHBondContact O-N 2.92Å; E109-S111 VanDerWaalsContact C-N 3.31Å; E109-S111 PolarHBondContact O-N 3.34Å; S111-S114 PolarHBondContact O-N 2.98Å; S111-Q115 WeakPolarHBondContact O-CG 3.48Å; S111-Q115 PolarHBondContact O-N 3.39Å; S111-Q115 VanDerWaalsContact O-N 3.08Å; S111-Q115 PolarHBondContact OG-NE2 2.94Å
112	R	97.9	Very high	97.2	Very high	158 Å²	158	67.7 Å²	67.7	60%	0.596	38%	0.379	S	S	*	.	H	α-helix	trans	-61	-47.4	176	-77.5	-176.8	-66.3	152.6	-1.5	111.9	A108 E109 Q115 S116	A108-R112 WeakPolarHBondContact O-CB 3.45Å; A108-R112 VanDerWaalsContact O-CG 3.3Å; A108-R112 WeakPolarHBondContact O-CG 3.31Å; A108-R112 PolarHBondContact O-N 2.86Å; A108-R112 VanDerWaalsContact O-N 3.1Å; A108-R112 PolarHBondContact O-NE 3.42Å; E109-R112 PolarHBondContact O-N 3.39Å; R112-Q115 PolarHBondContact O-N 3.48Å; R112-S116 PolarHBondContact O-N 3.23Å; R112-S116 PolarHBondContact O-OG 2.94Å
113	W	98.2	Very high	97.2	Very high	27 Å²	27	67.1 Å²	67.1	10%	0.102	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-44.9	177.9	177	83.2	0	0	0	111.7	F69 V72 Q73 K76 L92 E109 I110 Q115 S116 E117 V119	F69-W113 HydrophobicContact CE2-CD2 4.49Å; F69-W113 AromaticContact CE2-CE3 3.88Å; F69-W113 HydrophobicContact CE2-CE3 3.88Å; F69-W113 HydrophobicContact CE2-CZ3 4.09Å; F69-W113 HydrophobicContact CZ-CB 4.38Å; F69-W113 AromaticContact CZ-CD2 3.84Å; F69-W113 HydrophobicContact CZ-CD2 3.84Å; F69-W113 AromaticContact CZ-CE3 3.61Å; F69-W113 HydrophobicContact CZ-CE3 3.61Å; F69-W113 HydrophobicContact CZ-CG 4.17Å; F69-W113 HydrophobicContact CZ-CZ3 4.25Å; V72-W113 HydrophobicContact CG1-CH2 3.74Å; V72-W113 HydrophobicContact CG1-CZ3 4.22Å; Q73-W113 HydrophobicContact CB-CZ2 4.22Å; Q73-W113 HydrophobicContact CG-CD2 4.28Å; Q73-W113 HydrophobicContact CG-CZ2 3.83Å; K76-W113 HydrophobicContact CB-CH2 4.23Å; K76-W113 HydrophobicContact CB-CZ2 3.93Å; K76-W113 HydrophobicContact CG-CH2 4.34Å; K76-W113 HydrophobicContact CG-CZ2 4Å; L92-W113 HydrophobicContact CD1-CZ3 4.38Å; L92-W113 HydrophobicContact CD2-CZ3 4.25Å; E109-W113 WeakPolarHBondContact O-CB 3.3Å; E109-W113 PolarHBondContact O-N 2.84Å; I110-W113 PolarHBondContact O-N 2.58Å; W113-Q115 VanDerWaalsContact C-N 3.31Å; W113-Q115 PolarHBondContact O-N 2.96Å; W113-S116 WeakPolarHBondContact CA-OG 3.35Å; W113-S116 PolarHBondContact O-N 3.46Å; W113-S116 PolarHBondContact O-OG 3.35Å; W113-E117 HydrophobicContact CD2-CG 3.98Å; W113-E117 VanDerWaalsContact CE2-CG 3.42Å; W113-E117 HydrophobicContact CG-CG 4.26Å; W113-E117 HydrophobicContact CH2-CG 4.48Å; W113-E117 HydrophobicContact CZ2-CB 4.29Å; W113-E117 HydrophobicContact CZ2-CG 3.72Å; W113-E117 VanDerWaalsContact O-CB 3.31Å; W113-E117 WeakPolarHBondContact O-CB 3.43Å; W113-E117 WeakPolarHBondContact O-CG 3.32Å; W113-E117 PolarHBondContact O-N 2.75Å; W113-V119 HydrophobicContact CH2-CG2 4.44Å; W113-V119 HydrophobicContact CZ3-CG2 4.02Å
114	S	97.9	Very high	97.3	Very high	5 Å²	5	69 Å²	69	4%	0.035	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-39.8	179.8	-60.2	0	0	0	0	111.9	I110 S111 K118 V119 I122	I110-S114 VanDerWaalsContact O-CB 3.28Å; I110-S114 WeakPolarHBondContact O-CB 3.38Å; I110-S114 PolarHBondContact O-N 3Å; I110-S114 PolarHBondContact O-OG 2.94Å; S111-S114 PolarHBondContact O-N 2.98Å; S114-K118 PolarHBondContact O-N 3.32Å; S114-V119 WeakPolarHBondContact O-CB 2.97Å; S114-V119 PolarHBondContact O-N 3.42Å; S114-I122 WeakPolarHBondContact OG-CD1 3.38Å
115	Q	97.6	Very high	97.3	Very high	142 Å²	142	64.3 Å²	64.3	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-66.9	-46	174.8	-69.9	173	39.5	0	0	111.9	S111 R112 W113 E117 K118	S111-Q115 WeakPolarHBondContact O-CG 3.48Å; S111-Q115 PolarHBondContact O-N 3.39Å; S111-Q115 VanDerWaalsContact O-N 3.08Å; S111-Q115 PolarHBondContact OG-NE2 2.94Å; R112-Q115 PolarHBondContact O-N 3.48Å; W113-Q115 VanDerWaalsContact C-N 3.31Å; W113-Q115 PolarHBondContact O-N 2.96Å; Q115-E117 VanDerWaalsContact C-N 3.33Å; Q115-E117 PolarHBondContact O-N 3.4Å; Q115-K118 PolarHBondContact O-N 3.41Å
116	S	97.7	Very high	97.3	Very high	80 Å²	80	64.7 Å²	64.7	56%	0.559	34%	0.34	S	S	*	.	H	α-helix	trans	-65	-37.5	-179.8	62.8	0	0	0	0	112.6	R112 W113 K118	R112-S116 PolarHBondContact O-N 3.23Å; R112-S116 PolarHBondContact O-OG 2.94Å; W113-S116 WeakPolarHBondContact CA-OG 3.35Å; W113-S116 PolarHBondContact O-N 3.46Å; W113-S116 PolarHBondContact O-OG 3.35Å; S116-K118 PolarHBondContact O-N 2.97Å
117	E	97	Very high	97.3	Very high	51 Å²	51	64.5 Å²	64.5	24%	0.238	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0	-179.8	-68.9	-58.6	141.9	0	0	113.9	K76 W113 Q115 V119	K76-E117 WeakPolarHBondContact CE-O 3.46Å; K76-E117 HydrophobicContact CG-CB 4.3Å; K76-E117 HydrophobicContact CG-CG 4.28Å; K76-E117 WeakPolarHBondContact CG-OE2 3.34Å; K76-E117 PolarHBondContact NZ-O 3Å; K76-E117 IonicContact NZ-OE2 2.77Å; K76-E117 PolarHBondContact NZ-OE2 3.26Å; W113-E117 HydrophobicContact CD2-CG 3.98Å; W113-E117 VanDerWaalsContact CE2-CG 3.42Å; W113-E117 HydrophobicContact CG-CG 4.26Å; W113-E117 HydrophobicContact CH2-CG 4.48Å; W113-E117 HydrophobicContact CZ2-CB 4.29Å; W113-E117 HydrophobicContact CZ2-CG 3.72Å; W113-E117 VanDerWaalsContact O-CB 3.31Å; W113-E117 WeakPolarHBondContact O-CB 3.43Å; W113-E117 WeakPolarHBondContact O-CG 3.32Å; W113-E117 PolarHBondContact O-N 2.75Å; Q115-E117 VanDerWaalsContact C-N 3.33Å; Q115-E117 PolarHBondContact O-N 3.4Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 HydrophobicContact CB-CG2 4.37Å; E117-V119 PolarHBondContact O-N 3.4Å
118	K	95.9	Very high	97.3	Very high	166 Å²	166	68.4 Å²	68.4	72%	0.722	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	40.3	-177.7	-52.9	177.4	-177.6	176.9	0	112.8	S114 Q115 S116 A120	S114-K118 PolarHBondContact O-N 3.32Å; Q115-K118 PolarHBondContact O-N 3.41Å; S116-K118 PolarHBondContact O-N 2.97Å; K118-A120 PolarHBondContact O-N 3.43Å
119	V	97.8	Very high	97.2	Very high	21 Å²	21	69.3 Å²	69.3	13%	0.127	34%	0.344	C	S	.	.			trans	-63.5	125.3	168.4	174.8	0	0	0	0	108.2	L92 W113 S114 E117 N121 I122	L92-V119 HydrophobicContact CB-CG1 3.74Å; W113-V119 HydrophobicContact CH2-CG2 4.44Å; W113-V119 HydrophobicContact CZ3-CG2 4.02Å; S114-V119 WeakPolarHBondContact O-CB 2.97Å; S114-V119 PolarHBondContact O-N 3.42Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 HydrophobicContact CB-CG2 4.37Å; E117-V119 PolarHBondContact O-N 3.4Å; V119-N121 VanDerWaalsContact CG1-O 3.24Å; V119-N121 WeakPolarHBondContact CG1-O 3.39Å; V119-I122 HydrophobicContact CG1-CG1 4.37Å
120	A	97.5	Very high	97.2	Very high	46 Å²	46	74 Å²	74	38%	0.38	36%	0.357	S	S	.	.			trans	-73.7	-32	-171.2	0	0	0	0	0	112.8	I90 K118 W139	I90-A120 WeakPolarHBondContact O-CB 3.23Å; I90-A120 PolarHBondContact O-N 3.11Å; K118-A120 PolarHBondContact O-N 3.43Å; A120-W139 HydrophobicContact CB-CH2 3.78Å; A120-W139 HydrophobicContact CB-CZ3 4.28Å
121	N	97.7	Very high	97.1	Very high	55 Å²	55	78.3 Å²	78.3	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	160.3	173.2	-157.9	3.5	0	0	0	111.4	V91 L92 V119 F123 W139	V91-N121 WeakPolarHBondContact CG1-O 3.13Å; L92-N121 PolarHBondContact N-O 3.07Å; V119-N121 VanDerWaalsContact CG1-O 3.24Å; V119-N121 WeakPolarHBondContact CG1-O 3.39Å; N121-F123 HydrophobicContact CB-CE2 3.89Å; N121-F123 WeakPolarHBondContact ND2-CE2 3.39Å; N121-F123 VanDerWaalsContact ND2-CZ 3.3Å; N121-F123 WeakPolarHBondContact ND2-CZ 3.3Å; N121-W139 HydrophobicContact CB-CD2 4.27Å; N121-W139 HydrophobicContact CB-CE3 4.14Å; N121-W139 HydrophobicContact CB-CH2 3.55Å; N121-W139 HydrophobicContact CB-CZ2 3.64Å; N121-W139 HydrophobicContact CB-CZ3 3.81Å; N121-W139 PolarHBondContact ND2-NE1 2.94Å
122	I	98	Very high	97.1	Very high	67 Å²	67	76.5 Å²	76.5	34%	0.344	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.5	175.4	-51.2	177.1	0	0	0	108.5	L92 S114 V119	L92-I122 HydrophobicContact CB-CG1 4.24Å; L92-I122 HydrophobicContact CB-CG2 4.38Å; L92-I122 HydrophobicContact CD2-CD1 4.37Å; L92-I122 HydrophobicContact CD2-CG1 4.33Å; L92-I122 HydrophobicContact CD2-CG2 4.26Å; L92-I122 HydrophobicContact CG-CG2 4.44Å; L92-I122 CarbonylContact O-C 3.6Å; L92-I122 VanDerWaalsContact O-CA 3.3Å; L92-I122 WeakPolarHBondContact O-CA 3.44Å; S114-I122 WeakPolarHBondContact OG-CD1 3.38Å; V119-I122 HydrophobicContact CG1-CG1 4.37Å
123	F	98.5	Very high	97	Very high	28 Å²	28	71.3 Å²	71.3	12%	0.123	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.4	175.2	-70.5	-92.8	0	0	0	110.8	V91 L92 S93 C94 N121 T125 N135 L136 W139	V91-F123 HydrophobicContact CG1-CD2 3.51Å; V91-F123 HydrophobicContact CG1-CE2 3.71Å; L92-F123 PolarHBondContact O-N 3.38Å; S93-F123 CarbonylContact C-O 3.49Å; S93-F123 WeakPolarHBondContact CA-O 3.38Å; C94-F123 PolarHBondContact N-O 2.89Å; N121-F123 HydrophobicContact CB-CE2 3.89Å; N121-F123 WeakPolarHBondContact ND2-CE2 3.39Å; N121-F123 VanDerWaalsContact ND2-CZ 3.3Å; N121-F123 WeakPolarHBondContact ND2-CZ 3.3Å; F123-T125 HydrophobicContact CB-CG2 4.15Å; F123-N135 HydrophobicContact CE1-CB 4.4Å; F123-L136 HydrophobicContact CB-CB 4.34Å; F123-L136 HydrophobicContact CB-CD1 4.13Å; F123-L136 HydrophobicContact CD1-CB 4.16Å; F123-L136 HydrophobicContact CD2-CB 4.37Å; F123-L136 HydrophobicContact CD2-CD1 3.41Å; F123-L136 VanDerWaalsContact CD2-CD1 3.41Å; F123-L136 HydrophobicContact CD2-CG 4.48Å; F123-L136 HydrophobicContact CE2-CD1 3.94Å; F123-L136 HydrophobicContact CG-CB 4.02Å; F123-L136 HydrophobicContact CG-CD1 3.82Å; F123-W139 HydrophobicContact CE1-CB 4.31Å; F123-W139 HydrophobicContact CE2-CB 4.29Å; F123-W139 HydrophobicContact CE2-CD2 4.14Å; F123-W139 HydrophobicContact CE2-CE3 4.06Å; F123-W139 HydrophobicContact CE2-CG 4.24Å; F123-W139 HydrophobicContact CZ-CB 3.51Å; F123-W139 AromaticContact CZ-CD2 3.95Å; F123-W139 HydrophobicContact CZ-CD2 3.95Å; F123-W139 HydrophobicContact CZ-CE3 4.31Å; F123-W139 AromaticContact CZ-CG 3.59Å; F123-W139 HydrophobicContact CZ-CG 3.59Å
124	E	98.2	Very high	96.9	Very high	139 Å²	139	73.9 Å²	73.9	65%	0.65	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.2	163.5	-73	-173.2	165.4	0	0	108.5	C94 V97	C94-E124 HydrophobicContact CB-CG 4.24Å; C94-E124 CarbonylContact O-C 3.58Å; C94-E124 WeakPolarHBondContact O-CA 3.46Å; V97-E124 HydrophobicContact CG1-CB 3.83Å; V97-E124 HydrophobicContact CG1-CG 4.01Å; V97-E124 HydrophobicContact CG2-CB 4.38Å
125	T	98.2	Very high	96.9	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.006	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.8	-176.2	63.4	0	0	0	0	112.6	S93 C94 H95 K96 V97 F123 L133 L136	S93-T125 PolarHBondContact OG-OG1 3.03Å; C94-T125 PolarHBondContact O-N 3.21Å; H95-T125 CarbonylContact C-O 3.53Å; H95-T125 VanDerWaalsContact CA-O 3.31Å; H95-T125 WeakPolarHBondContact CA-O 3.09Å; H95-T125 PolarHBondContact ND1-O 3.5Å; H95-T125 PolarHBondContact ND1-OG1 3.1Å; K96-T125 PolarHBondContact N-O 2.85Å; V97-T125 PolarHBondContact N-O 3.28Å; F123-T125 HydrophobicContact CB-CG2 4.15Å; T125-L133 HydrophobicContact CG2-CD2 4.24Å; T125-L136 HydrophobicContact CG2-CB 4.39Å; T125-L136 HydrophobicContact CG2-CD2 4.04Å
126	T	96.9	Very high	96.9	Very high	15 Å²	15	70.7 Å²	70.7	9%	0.092	35%	0.349	C	S	.	.			trans	-143.3	150.6	167.1	175	0	0	0	0	109.5	V97 D98 Y128 D129 S132	V97-T126 HydrophobicContact CG2-CG2 4.28Å; D98-T126 WeakPolarHBondContact OD1-CB 3.48Å; D98-T126 PolarHBondContact OD1-OG1 3.12Å; T126-Y128 PolarHBondContact O-N 3.21Å; T126-Y128 VanDerWaalsContact OG1-CD2 3.31Å; T126-Y128 WeakPolarHBondContact OG1-CD2 3.41Å; T126-Y128 PolarHBondContact OG1-N 3.27Å; T126-D129 HydrophobicContact CG2-CB 3.77Å; T126-D129 PolarHBondContact O-N 3.35Å; T126-S132 PolarHBondContact N-OG 2.84Å
127	V	95	Very high	96.9	Very high	73 Å²	73	70 Å²	70	44%	0.442	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	175.4	-62.7	0	0	0	0	112.8
128	Y	96.1	Very high	96.9	Very high	154 Å²	154	69.2 Å²	69.2	60%	0.604	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-16	177.9	-55.9	-64.2	0	0	0	113.4	D98 T126	D98-Y128 HydrophobicContact CB-CD2 4.1Å; D98-Y128 HydrophobicContact CB-CE2 4.46Å; D98-Y128 VanDerWaalsContact OD2-CE2 3.3Å; D98-Y128 WeakPolarHBondContact OD2-CE2 3.28Å; T126-Y128 PolarHBondContact O-N 3.21Å; T126-Y128 VanDerWaalsContact OG1-CD2 3.31Å; T126-Y128 WeakPolarHBondContact OG1-CD2 3.41Å; T126-Y128 PolarHBondContact OG1-N 3.27Å
129	D	95	Very high	97	Very high	73 Å²	73	65.1 Å²	65.1	39%	0.39	32%	0.316	S	S	.	.			trans	-116.6	94.9	176.3	178.6	13	0	0	0	110.1	T126 Q131 S132	T126-D129 HydrophobicContact CG2-CB 3.77Å; T126-D129 PolarHBondContact O-N 3.35Å; D129-Q131 PolarHBondContact O-N 3.5Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.42Å; D129-Q131 PolarHBondContact OD1-N 3Å; D129-S132 PolarHBondContact O-N 3.38Å; D129-S132 PolarHBondContact O-OG 3.37Å; D129-S132 PolarHBondContact OD1-N 3.49Å; D129-S132 WeakPolarHBondContact OD2-CB 3.44Å; D129-S132 PolarHBondContact OD2-N 3.36Å
130	R	95.2	Very high	96.9	Very high	190 Å²	190	64.5 Å²	64.5	72%	0.717	31%	0.312	S	S	*	.	H	α-helix	trans	-58.3	-31.8	176.3	-178.3	177.1	173	-179.1	-0.5	112.3	L133 M134	R130-L133 PolarHBondContact O-N 3.36Å; R130-M134 HydrophobicContact CG-CG 4.24Å; R130-M134 HydrophobicContact CG-SD 4Å; R130-M134 WeakPolarHBondContact O-CG 3.44Å; R130-M134 PolarHBondContact O-N 2.88Å
131	Q	96.4	Very high	96.9	Very high	103 Å²	103	62.7 Å²	62.7	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-68.8	-40.8	-177.8	-169.4	62.2	53.3	0	0	110.9	D129 L133 M134 N135	D129-Q131 PolarHBondContact O-N 3.5Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.42Å; D129-Q131 PolarHBondContact OD1-N 3Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 2.83Å; Q131-M134 PolarHBondContact O-N 3.06Å; Q131-N135 PolarHBondContact NE2-OD1 3.09Å; Q131-N135 WeakPolarHBondContact O-CB 3.4Å; Q131-N135 PolarHBondContact O-N 3.37Å; Q131-N135 PolarHBondContact O-ND2 3.28Å; Q131-N135 PolarHBondContact O-OD1 3.02Å
132	S	96.3	Very high	96.8	Very high	12 Å²	12	60.2 Å²	60.2	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-55.5	-44.8	174.2	72.8	0	0	0	0	112.5	T126 D129 N135 L136	T126-S132 PolarHBondContact N-OG 2.84Å; D129-S132 PolarHBondContact O-N 3.38Å; D129-S132 PolarHBondContact O-OG 3.37Å; D129-S132 PolarHBondContact OD1-N 3.49Å; D129-S132 WeakPolarHBondContact OD2-CB 3.44Å; D129-S132 PolarHBondContact OD2-N 3.36Å; S132-N135 PolarHBondContact O-N 2.85Å; S132-L136 PolarHBondContact O-N 3.16Å; S132-L136 VanDerWaalsContact O-N 3.14Å
133	L	96.5	Very high	96.6	Very high	50 Å²	50	63.4 Å²	63.4	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-67.3	-44.1	177.9	-65.7	170.8	0	0	0	111.5	T125 R130 Q131 N135 L136 F137	T125-L133 HydrophobicContact CG2-CD2 4.24Å; R130-L133 PolarHBondContact O-N 3.36Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 2.83Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.62Å; L133-L136 PolarHBondContact O-N 3.31Å; L133-F137 WeakPolarHBondContact O-CD2 3.35Å; L133-F137 PolarHBondContact O-N 3.5Å; L133-F137 VanDerWaalsContact O-N 3.14Å
134	M	95.8	Very high	96.4	Very high	81 Å²	81	63.9 Å²	63.9	40%	0.399	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-40.9	176.8	-75.1	-177.5	61.2	0	0	111.7	R130 Q131 F137 T138	R130-M134 HydrophobicContact CG-CG 4.24Å; R130-M134 HydrophobicContact CG-SD 4Å; R130-M134 WeakPolarHBondContact O-CG 3.44Å; R130-M134 PolarHBondContact O-N 2.88Å; Q131-M134 PolarHBondContact O-N 3.06Å; M134-F137 PolarHBondContact O-N 2.62Å; M134-T138 WeakPolarHBondContact O-CB 3.48Å; M134-T138 PolarHBondContact O-N 3.24Å; M134-T138 PolarHBondContact O-OG1 3.13Å
135	N	97.1	Very high	96.1	Very high	73 Å²	73	58.6 Å²	58.6	39%	0.39	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-44.3	177.5	-70.2	-11.3	0	0	0	111.7	F123 Q131 S132 L133 T138 W139	F123-N135 HydrophobicContact CE1-CB 4.4Å; Q131-N135 PolarHBondContact NE2-OD1 3.09Å; Q131-N135 WeakPolarHBondContact O-CB 3.4Å; Q131-N135 PolarHBondContact O-N 3.37Å; Q131-N135 PolarHBondContact O-ND2 3.28Å; Q131-N135 PolarHBondContact O-OD1 3.02Å; S132-N135 PolarHBondContact O-N 2.85Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.62Å; N135-T138 PolarHBondContact O-N 3.01Å; N135-W139 VanDerWaalsContact O-CB 3.25Å; N135-W139 WeakPolarHBondContact O-CB 3.4Å; N135-W139 PolarHBondContact O-N 3.42Å
136	L	98	Very high	95.3	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-52.5	175.7	167.6	62.6	0	0	0	111.7	I58 V91 F123 T125 S132 L133 T140	I58-L136 HydrophobicContact CD1-CD1 4.25Å; I58-L136 HydrophobicContact CD1-CD2 4.4Å; I58-L136 HydrophobicContact CD1-CG 4.16Å; I58-L136 HydrophobicContact CG1-CD1 4.44Å; I58-L136 HydrophobicContact CG2-CD1 4.21Å; I58-L136 HydrophobicContact CG2-CD2 3.96Å; V91-L136 HydrophobicContact CB-CD1 4.5Å; V91-L136 HydrophobicContact CG1-CD1 3.53Å; F123-L136 HydrophobicContact CB-CB 4.34Å; F123-L136 HydrophobicContact CB-CD1 4.13Å; F123-L136 HydrophobicContact CD1-CB 4.16Å; F123-L136 HydrophobicContact CD2-CB 4.37Å; F123-L136 HydrophobicContact CD2-CD1 3.41Å; F123-L136 VanDerWaalsContact CD2-CD1 3.41Å; F123-L136 HydrophobicContact CD2-CG 4.48Å; F123-L136 HydrophobicContact CE2-CD1 3.94Å; F123-L136 HydrophobicContact CG-CB 4.02Å; F123-L136 HydrophobicContact CG-CD1 3.82Å; T125-L136 HydrophobicContact CG2-CB 4.39Å; T125-L136 HydrophobicContact CG2-CD2 4.04Å; S132-L136 PolarHBondContact O-N 3.16Å; S132-L136 VanDerWaalsContact O-N 3.14Å; L133-L136 PolarHBondContact O-N 3.31Å; L136-T140 WeakPolarHBondContact O-CB 3.35Å; L136-T140 PolarHBondContact O-N 3.09Å; L136-T140 VanDerWaalsContact O-N 3.08Å; L136-T140 PolarHBondContact O-OG1 3.07Å
137	F	97.3	Very high	93.6	Very high	65 Å²	65	65.8 Å²	65.8	29%	0.285	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-45.5	-179.8	-73.5	-66.3	0	0	0	112	V25 I37 I58 L133 M134 W139 T140 V141	V25-F137 HydrophobicContact CG1-CB 4.49Å; V25-F137 HydrophobicContact CG2-CB 4.27Å; I37-F137 HydrophobicContact CD1-CD1 4.3Å; I37-F137 HydrophobicContact CD1-CE1 3.72Å; I37-F137 HydrophobicContact CD1-CZ 4.13Å; I37-F137 HydrophobicContact CG1-CE1 4.42Å; I58-F137 HydrophobicContact CD1-CD1 3.99Å; I58-F137 HydrophobicContact CD1-CE1 3.79Å; L133-F137 WeakPolarHBondContact O-CD2 3.35Å; L133-F137 PolarHBondContact O-N 3.5Å; L133-F137 VanDerWaalsContact O-N 3.14Å; M134-F137 PolarHBondContact O-N 2.62Å; F137-W139 PolarHBondContact O-N 3.26Å; F137-T140 PolarHBondContact O-N 3.14Å; F137-V141 WeakPolarHBondContact O-CB 3.45Å; F137-V141 VanDerWaalsContact O-CG2 3.25Å; F137-V141 WeakPolarHBondContact O-CG2 3.43Å; F137-V141 PolarHBondContact O-N 3.15Å
138	T	97.1	Very high	91.9	Very high	36 Å²	36	68.6 Å²	68.6	22%	0.221	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-48.2	179.9	-59.3	0	0	0	0	111	E26 M134 N135 S142	E26-T138 VanDerWaalsContact O-CG2 3.31Å; E26-T138 WeakPolarHBondContact O-CG2 3.38Å; M134-T138 WeakPolarHBondContact O-CB 3.48Å; M134-T138 PolarHBondContact O-N 3.24Å; M134-T138 PolarHBondContact O-OG1 3.13Å; N135-T138 PolarHBondContact O-N 3.01Å; T138-S142 WeakPolarHBondContact O-CB 3.36Å; T138-S142 PolarHBondContact O-N 2.91Å; T138-S142 PolarHBondContact O-OG 2.89Å
139	W	97.6	Very high	89.9	Confident	80 Å²	80	65.5 Å²	65.5	30%	0.303	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-46.2	178.4	-173.5	96.9	0	0	0	111.7	V91 A120 N121 F123 N135 F137 V141 S142 R143	V91-W139 HydrophobicContact CG2-CE3 4.04Å; V91-W139 HydrophobicContact CG2-CZ3 3.57Å; A120-W139 HydrophobicContact CB-CH2 3.78Å; A120-W139 HydrophobicContact CB-CZ3 4.28Å; N121-W139 HydrophobicContact CB-CD2 4.27Å; N121-W139 HydrophobicContact CB-CE3 4.14Å; N121-W139 HydrophobicContact CB-CH2 3.55Å; N121-W139 HydrophobicContact CB-CZ2 3.64Å; N121-W139 HydrophobicContact CB-CZ3 3.81Å; N121-W139 PolarHBondContact ND2-NE1 2.94Å; F123-W139 HydrophobicContact CE1-CB 4.31Å; F123-W139 HydrophobicContact CE2-CB 4.29Å; F123-W139 HydrophobicContact CE2-CD2 4.14Å; F123-W139 HydrophobicContact CE2-CE3 4.06Å; F123-W139 HydrophobicContact CE2-CG 4.24Å; F123-W139 HydrophobicContact CZ-CB 3.51Å; F123-W139 AromaticContact CZ-CD2 3.95Å; F123-W139 HydrophobicContact CZ-CD2 3.95Å; F123-W139 HydrophobicContact CZ-CE3 4.31Å; F123-W139 AromaticContact CZ-CG 3.59Å; F123-W139 HydrophobicContact CZ-CG 3.59Å; N135-W139 VanDerWaalsContact O-CB 3.25Å; N135-W139 WeakPolarHBondContact O-CB 3.4Å; N135-W139 PolarHBondContact O-N 3.42Å; F137-W139 PolarHBondContact O-N 3.26Å; W139-V141 PolarHBondContact O-N 3.36Å; W139-S142 PolarHBondContact O-N 3.29Å; W139-R143 HydrophobicContact CE3-CB 4.35Å; W139-R143 HydrophobicContact CH2-CB 4.31Å; W139-R143 HydrophobicContact CH2-CG 4.01Å; W139-R143 HydrophobicContact CZ3-CB 4.1Å; W139-R143 HydrophobicContact CZ3-CG 4.16Å; W139-R143 VanDerWaalsContact O-CB 3.32Å; W139-R143 WeakPolarHBondContact O-CB 3.24Å; W139-R143 PolarHBondContact O-N 3.25Å
140	T	97.2	Very high	87.8	Confident	7 Å²	7	71 Å²	71	4%	0.043	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-48.2	-178.5	-56.4	0	0	0	0	111.2	A56 I58 V91 L136 F137 R143 I144	A56-T140 HydrophobicContact CB-CG2 3.74Å; I58-T140 HydrophobicContact CG1-CG2 4.41Å; V91-T140 HydrophobicContact CG2-CG2 4.32Å; L136-T140 WeakPolarHBondContact O-CB 3.35Å; L136-T140 PolarHBondContact O-N 3.09Å; L136-T140 VanDerWaalsContact O-N 3.08Å; L136-T140 PolarHBondContact O-OG1 3.07Å; F137-T140 PolarHBondContact O-N 3.14Å; T140-R143 PolarHBondContact O-N 3.04Å; T140-I144 WeakPolarHBondContact O-CG1 3.21Å; T140-I144 PolarHBondContact O-N 2.89Å; T140-I144 VanDerWaalsContact O-N 3.15Å
141	V	96.6	Very high	85.6	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-67.4	-41.3	-179.9	176.9	0	0	0	0	111.4	V25 T27 E33 V35 F137 W139 R143 I144 T145	V25-V141 HydrophobicContact CB-CB 4.39Å; V25-V141 HydrophobicContact CB-CG1 4.37Å; V25-V141 HydrophobicContact CB-CG2 4.05Å; V25-V141 HydrophobicContact CG1-CB 4.01Å; V25-V141 HydrophobicContact CG1-CG1 4.36Å; V25-V141 HydrophobicContact CG1-CG2 3.96Å; V25-V141 HydrophobicContact CG2-CG2 4.15Å; T27-V141 HydrophobicContact CG2-CG1 3.99Å; E33-V141 HydrophobicContact CB-CG1 3.69Å; E33-V141 HydrophobicContact CG-CG1 3.83Å; V35-V141 HydrophobicContact CG1-CG1 4.16Å; V35-V141 HydrophobicContact CG1-CG2 3.7Å; F137-V141 WeakPolarHBondContact O-CB 3.45Å; F137-V141 VanDerWaalsContact O-CG2 3.25Å; F137-V141 WeakPolarHBondContact O-CG2 3.43Å; F137-V141 PolarHBondContact O-N 3.15Å; W139-V141 PolarHBondContact O-N 3.36Å; V141-R143 VanDerWaalsContact C-N 3.29Å; V141-R143 PolarHBondContact O-N 2.93Å; V141-I144 WeakPolarHBondContact O-CG1 3.05Å; V141-I144 PolarHBondContact O-N 3.24Å; V141-T145 HydrophobicContact CG1-CG2 4.19Å; V141-T145 WeakPolarHBondContact O-CB 3.46Å; V141-T145 WeakPolarHBondContact O-CG2 3.36Å; V141-T145 PolarHBondContact O-N 3.46Å; V141-T145 PolarHBondContact O-OG1 2.67Å
142	S	95.7	Very high	83.2	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.014	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-41.1	175.5	-56.1	0	0	0	0	110.9	T27 D28 T138 W139 T145 Q146	T27-S142 WeakPolarHBondContact CA-OG 3.26Å; T27-S142 WeakPolarHBondContact CB-OG 3.24Å; D28-S142 PolarHBondContact N-OG 3.44Å; D28-S142 VanDerWaalsContact N-OG 3.11Å; D28-S142 WeakPolarHBondContact OD1-CB 3.31Å; D28-S142 PolarHBondContact OD1-OG 3.47Å; T138-S142 WeakPolarHBondContact O-CB 3.36Å; T138-S142 PolarHBondContact O-N 2.91Å; T138-S142 PolarHBondContact O-OG 2.89Å; W139-S142 PolarHBondContact O-N 3.29Å; S142-T145 PolarHBondContact O-OG1 3.33Å; S142-Q146 WeakPolarHBondContact O-CB 3.36Å; S142-Q146 WeakPolarHBondContact O-CG 3.42Å; S142-Q146 PolarHBondContact O-N 3.06Å
143	R	95.2	Very high	81.2	Confident	135 Å²	135	73.1 Å²	73.1	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-47.1	179.5	-175.7	60.9	175.7	-173.5	-0.8	112.8	W139 T140 V141	W139-R143 HydrophobicContact CE3-CB 4.35Å; W139-R143 HydrophobicContact CH2-CB 4.31Å; W139-R143 HydrophobicContact CH2-CG 4.01Å; W139-R143 HydrophobicContact CZ3-CB 4.1Å; W139-R143 HydrophobicContact CZ3-CG 4.16Å; W139-R143 VanDerWaalsContact O-CB 3.32Å; W139-R143 WeakPolarHBondContact O-CB 3.24Å; W139-R143 PolarHBondContact O-N 3.25Å; T140-R143 PolarHBondContact O-N 3.04Å; V141-R143 VanDerWaalsContact C-N 3.29Å; V141-R143 PolarHBondContact O-N 2.93Å
144	I	93.5	Very high	79.2	Confident	37 Å²	37	76.2 Å²	76.2	19%	0.19	41%	0.414	C	S	.	.	H	α-helix	trans	-74.1	-31.9	-178.3	62	-179.8	0	0	0	113	D55 A56 C89 T140 V141	D55-I144 HydrophobicContact CB-CD1 3.95Å; A56-I144 HydrophobicContact CB-CD1 4.47Å; A56-I144 HydrophobicContact CB-CG2 3.95Å; C89-I144 HydrophobicContact CB-CG2 3.52Å; T140-I144 WeakPolarHBondContact O-CG1 3.21Å; T140-I144 PolarHBondContact O-N 2.89Å; T140-I144 VanDerWaalsContact O-N 3.15Å; V141-I144 WeakPolarHBondContact O-CG1 3.05Å; V141-I144 PolarHBondContact O-N 3.24Å
145	T	90.8	Very high	77.3	Confident	28 Å²	28	81.5 Å²	81.5	17%	0.172	44%	0.435	C	S	.	.	H	α-helix	trans	-79.2	-23.6	179.1	58.2	0	0	0	0	113.1	R29 E33 V141 S142	R29-T145 PolarHBondContact NH2-OG1 3.33Å; E33-T145 HydrophobicContact CG-CG2 3.98Å; V141-T145 HydrophobicContact CG1-CG2 4.19Å; V141-T145 WeakPolarHBondContact O-CB 3.46Å; V141-T145 WeakPolarHBondContact O-CG2 3.36Å; V141-T145 PolarHBondContact O-N 3.46Å; V141-T145 PolarHBondContact O-OG1 2.67Å; S142-T145 PolarHBondContact O-OG1 3.33Å
146	Q	81.3	Confident	75.2	Confident	77 Å²	77	81.2 Å²	81.2	36%	0.36	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-41.2	171.7	-79.5	173.7	27.6	0	0	111.7	S142 Q148 S149	S142-Q146 WeakPolarHBondContact O-CB 3.36Å; S142-Q146 WeakPolarHBondContact O-CG 3.42Å; S142-Q146 PolarHBondContact O-N 3.06Å; Q146-Q148 VanDerWaalsContact C-N 3.31Å; Q146-Q148 PolarHBondContact O-N 3.1Å; Q146-S149 PolarHBondContact O-N 3.18Å; Q146-S149 PolarHBondContact O-OG 3.33Å
147	S	62.7	Low	73.1	Confident	91 Å²	91	90.4 Å²	90.4	64%	0.636	49%	0.489	S	S	*	.	H	α-helix	trans	-62.4	-35.1	-175.3	-169.3	0	0	0	0	113.2	S149	S147-S149 VanDerWaalsContact C-N 3.3Å; S147-S149 PolarHBondContact O-N 3.31Å
148	Q	59.1	Low	71	Confident	132 Å²	132	96.3 Å²	96.3	62%	0.617	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-74.6	-17	-175.5	-63.3	-174.1	0.1	0	0	114	Q146 K150	Q146-Q148 VanDerWaalsContact C-N 3.31Å; Q146-Q148 PolarHBondContact O-N 3.1Å; Q148-K150 PolarHBondContact O-N 3.35Å; Q148-K150 VanDerWaalsContact O-N 3.14Å
149	S	53.7	Low	69.1	Low	88 Å²	88	102.6 Å²	102.6	62%	0.615	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-75.2	0.7	-173	63.7	0	0	0	0	115.9	Q146 S147	Q146-S149 PolarHBondContact O-N 3.18Å; Q146-S149 PolarHBondContact O-OG 3.33Å; S147-S149 VanDerWaalsContact C-N 3.3Å; S147-S149 PolarHBondContact O-N 3.31Å
150	K	50.6	Low	67.4	Low	190 Å²	190	104.7 Å²	104.7	83%	0.826	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-111.2	4.5	-177.4	-69.8	-164.7	179.7	-178.3	0	116.3	Q148 G152	Q148-K150 PolarHBondContact O-N 3.35Å; Q148-K150 VanDerWaalsContact O-N 3.14Å; K150-G152 PolarHBondContact O-N 3.15Å
151	S	49	Very low	65.3	Low	89 Å²	89	119.6 Å²	119.6	62%	0.622	62%	0.624	S	S	*	*			trans	-76.8	75.7	171.5	54.6	0	0	0	0	110.8	F153	S151-F153 PolarHBondContact O-N 3.04Å
152	G	45.9	Very low	63.8	Low	79 Å²	79	125.1 Å²	125.1	81%	0.814	65%	0.652	S	S	*	*			trans	-68.8	71.7	169.1	0	0	0	0	0	111.3	K150 S154	K150-G152 PolarHBondContact O-N 3.15Å; G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 3.38Å
153	F	55.5	Low	62.1	Low	181 Å²	181	131.6 Å²	131.6	79%	0.794	69%	0.686	S	S	*	*			trans	-70.5	93	160.5	-78.9	-80.2	0	0	0	107.8	S151 F155	S151-F153 PolarHBondContact O-N 3.04Å; F153-F155 PolarHBondContact O-N 2.66Å
154	S	53.2	Low	60.3	Low	115 Å²	115	131.4 Å²	131.4	80%	0.804	70%	0.696	S	S	*	*			trans	-64.3	104.4	160.3	-179.2	0	0	0	0	107.1	G152 G156	G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 3.38Å; S154-G156 PolarHBondContact O-N 2.89Å
155	F	56.1	Low	58.3	Low	192 Å²	192	136.9 Å²	136.9	84%	0.842	73%	0.725	S	S	*	*			trans	-55.4	106.9	165.2	-98.8	-94.4	0	0	0	107.9	F153 K157	F153-F155 PolarHBondContact O-N 2.66Å; F155-K157 PolarHBondContact O-N 3.33Å; F155-K157 VanDerWaalsContact O-N 3.13Å
156	G	53	Low	56.3	Low	66 Å²	66	143.8 Å²	143.8	68%	0.68	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.7	116.5	168	0	0	0	0	0	108.3	S154 K158	S154-G156 PolarHBondContact O-N 2.89Å; G156-K158 PolarHBondContact O-N 2.77Å
157	K	54.9	Low	54.6	Low	199 Å²	199	148.2 Å²	148.2	87%	0.865	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-54.3	123.7	170	-74.6	176.1	174.6	172	0	107.8	F155 D159	F155-K157 PolarHBondContact O-N 3.33Å; F155-K157 VanDerWaalsContact O-N 3.13Å; K157-D159 PolarHBondContact O-N 3.21Å
158	K	51.8	Low	54	Low	190 Å²	190	152.3 Å²	152.3	83%	0.826	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-59	117.6	162.4	-83.7	176	170.2	174	0	107.8	G156 V160	G156-K158 PolarHBondContact O-N 2.77Å; K158-V160 PolarHBondContact O-N 3.1Å
159	D	58.3	Low	53.6	Low	167 Å²	167	153.8 Å²	153.8	89%	0.893	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.1	122	157.8	-77.4	-48.9	0	0	0	108.3	K157	K157-D159 PolarHBondContact O-N 3.21Å
160	V	62.2	Low	53.6	Low	125 Å²	125	159.3 Å²	159.3	76%	0.758	83%	0.827	S	S	*	*			trans	-111.5	92.7	172.5	174.1	0	0	0	0	106.3	K158	K158-V160 PolarHBondContact O-N 3.1Å
161	R	53.2	Low	53.9	Low	319 Å²	319	156.5 Å²	156.5	100%	1.204	83%	0.828	S	S	*	*			trans	168.6	0	132	-102	-178.9	172.5	179.1	-2.1	111.3

Retrieved 161 of 161 residues in 244.7 ms (Link to these results)

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