A0A087X135_HUMAN Loading...

Tubulin--tyrosine ligase-like protein 9

AlphaFold DB , UniProt , Accession A0A087X135, Species HUMAN (Homo sapiens, Human), Gene TTLL9, Length 341 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	33.5	Very low	28.3	Very low	248 Å²	248	160.6 Å²	160.6	100%	1.222	83%	0.826	S	S	*	*				0	98	0	-76.9	174.7	169.8	0	0	108.8
2	S	28.2	Very low	29.6	Very low	118 Å²	118	161.3 Å²	161.3	83%	0.825	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.4	120.3	177.4	38.5	0	0	0	0	109.9
3	R	25.6	Very low	31.2	Very low	238 Å²	238	159.8 Å²	159.8	90%	0.898	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.8	172.2	-72.5	-176.7	178.2	-171	-0.5	109	K5	R3-K5 PolarHBondContact O-N 3.23Å
4	P	26.6	Very low	32.8	Very low	126 Å²	126	151.9 Å²	151.9	82%	0.818	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.8	129.5	174.9	25	-29.5	0	0	0	109.2	M6	P4-M6 PolarHBondContact O-N 3.1Å
5	K	27.1	Very low	34.6	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	73%	0.73	S	S	*	*			trans	-67.7	112	167.1	-79.9	179.9	176.9	177.2	0	107.1	R3 T7	R3-K5 PolarHBondContact O-N 3.23Å; K5-T7 PolarHBondContact O-N 3.07Å
6	M	23.5	Very low	36.2	Very low	193 Å²	193	140.3 Å²	140.3	95%	0.951	70%	0.704	S	S	*	*			trans	-70.9	95.3	169.9	-151	173.3	-169	0	0	107.1	P4 S8	P4-M6 PolarHBondContact O-N 3.1Å; M6-S8 PolarHBondContact O-N 3.26Å
7	T	27.2	Very low	37.5	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	67%	0.666	S	S	*	*			trans	-69	125	171	27.7	0	0	0	0	108.5	K5 L9	K5-T7 PolarHBondContact O-N 3.07Å; T7-L9 PolarHBondContact O-N 2.67Å
8	S	28.7	Very low	38.7	Very low	92 Å²	92	128.5 Å²	128.5	64%	0.643	64%	0.642	S	S	*	*			trans	-54.3	120	171.4	169.7	0	0	0	0	109.4	M6 Y10	M6-S8 PolarHBondContact O-N 3.26Å; S8-Y10 PolarHBondContact O-N 2.77Å; S8-Y10 PolarHBondContact OG-N 3.11Å
9	L	25.1	Very low	39.5	Very low	170 Å²	170	128.9 Å²	128.9	89%	0.89	64%	0.639	S	S	*	*	S	Bend	trans	-73.8	2.4	175.8	-83.7	159	0	0	0	113.3	T7	T7-L9 PolarHBondContact O-N 2.67Å
10	Y	31.4	Very low	39.8	Very low	185 Å²	185	124.7 Å²	124.7	73%	0.725	62%	0.619	S	S	*	*	S	Bend	trans	-100.3	125.5	-180	-63.1	-78.8	0	0	0	110.8	S8 E12	S8-Y10 PolarHBondContact O-N 2.77Å; S8-Y10 PolarHBondContact OG-N 3.11Å; Y10-E12 PolarHBondContact O-N 3.46Å
11	P	34.9	Very low	39.9	Very low	78 Å²	78	124 Å²	124	51%	0.506	62%	0.623	S	S	.	*			trans	-61.6	129.8	173.6	24.3	-30.9	0	0	0	109.8	K13 K45	P11-K13 PolarHBondContact O-N 3.13Å; P11-K45 HydrophobicContact CG-CD 4.47Å
12	E	43.2	Very low	40.2	Very low	168 Å²	168	118.7 Å²	118.7	79%	0.785	60%	0.596	S	S	*	*			trans	-63.8	114.6	177.7	-72.1	-174.1	159.2	0	0	110	Y10 T14 K45	Y10-E12 PolarHBondContact O-N 3.46Å; E12-T14 PolarHBondContact O-N 3.18Å; E12-K45 VanDerWaalsContact O-O 3.11Å
13	K	51.1	Low	40.7	Very low	143 Å²	143	116.2 Å²	116.2	62%	0.622	57%	0.572	S	S	*	*			trans	-57.3	122.3	170.3	-71.1	-177.7	-179.3	178.3	0	108.5	P11 N243	P11-K13 PolarHBondContact O-N 3.13Å; K13-N243 PolarHBondContact NZ-OD1 3.29Å; K13-N243 VanDerWaalsContact NZ-OD1 3.15Å
14	T	53.3	Low	41.4	Very low	49 Å²	49	109.5 Å²	109.5	30%	0.301	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101	130.1	176.8	9.1	0	0	0	0	109.4	E12 G44 R46 A47	E12-T14 PolarHBondContact O-N 3.18Å; T14-G44 PolarHBondContact N-O 3.01Å; T14-G44 PolarHBondContact O-N 2.91Å; T14-R46 WeakPolarHBondContact OG1-CA 3.26Å; T14-A47 PolarHBondContact OG1-N 3.42Å
15	Q	59.3	Low	42	Very low	34 Å²	34	108.5 Å²	108.5	16%	0.159	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.7	176	-124.9	-177.7	-36.3	0	0	108.1	I41 K43 L155	Q15-I41 HydrophobicContact CG-CD1 4.17Å; Q15-I41 HydrophobicContact CG-CG1 4.25Å; Q15-K43 HydrophobicContact CG-CD 4.29Å; Q15-K43 HydrophobicContact CG-CG 3.7Å; Q15-L155 HydrophobicContact CB-CD1 3.84Å; Q15-L155 HydrophobicContact CB-CD2 3.95Å; Q15-L155 HydrophobicContact CG-CD2 4.24Å; Q15-L155 WeakPolarHBondContact O-CD1 3.29Å
16	R	60.3	Low	42.4	Very low	83 Å²	83	105.9 Å²	105.9	31%	0.313	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.9	172.9	-72.9	-176.4	177.1	-156.4	3.5	109.6	Y18 V42 A47	R16-Y18 HydrophobicContact CB-CD2 4.22Å; R16-Y18 HydrophobicContact CB-CE1 4.41Å; R16-Y18 HydrophobicContact CB-CE2 3.43Å; R16-Y18 VanDerWaalsContact CB-CE2 3.43Å; R16-Y18 WeakPolarHBondContact CD-OH 3.45Å; R16-V42 PolarHBondContact N-O 3.09Å; R16-V42 VanDerWaalsContact N-O 3.12Å; R16-V42 PolarHBondContact O-N 3.09Å; R16-A47 HydrophobicContact CG-CB 4.27Å; R16-A47 PolarHBondContact NE-O 2.91Å; R16-A47 VanDerWaalsContact NE-O 3.16Å
17	I	58.7	Low	42.7	Very low	12 Å²	12	104.9 Å²	104.9	6%	0.062	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.5	177	-56.4	165.2	0	0	0	106.5	W40 I41 Y100 I148 H154 L155	I17-W40 WeakPolarHBondContact CG2-O 3.33Å; I17-I41 HydrophobicContact CD1-CD1 4.12Å; I17-I41 HydrophobicContact CG1-CB 4.21Å; I17-I41 HydrophobicContact CG1-CD1 3.68Å; I17-I41 HydrophobicContact CG1-CG1 3.77Å; I17-Y100 HydrophobicContact CD1-CD2 4.16Å; I17-Y100 HydrophobicContact CD1-CE2 3.59Å; I17-Y100 HydrophobicContact CG1-CD2 4.42Å; I17-Y100 HydrophobicContact CG1-CE2 4.31Å; I17-Y100 HydrophobicContact CG2-CD2 4.19Å; I17-Y100 HydrophobicContact CG2-CE2 4.5Å; I17-Y100 HydrophobicContact CG2-CG 4.38Å; I17-I148 HydrophobicContact CB-CG1 4.3Å; I17-I148 HydrophobicContact CG2-CD1 3.66Å; I17-I148 HydrophobicContact CG2-CG1 3.47Å; I17-I148 VanDerWaalsContact CG2-CG1 3.47Å; I17-H154 HydrophobicContact CD1-CB 3.12Å; I17-L155 HydrophobicContact CD1-CD2 4.24Å
18	Y	59.8	Low	43.6	Very low	57 Å²	57	101.6 Å²	101.6	22%	0.224	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.9	-177.2	-61.1	-81.4	0	0	0	108.1	R16 L20 W40 V42 A49	R16-Y18 HydrophobicContact CB-CD2 4.22Å; R16-Y18 HydrophobicContact CB-CE1 4.41Å; R16-Y18 HydrophobicContact CB-CE2 3.43Å; R16-Y18 VanDerWaalsContact CB-CE2 3.43Å; R16-Y18 WeakPolarHBondContact CD-OH 3.45Å; Y18-L20 PolarHBondContact O-N 3.28Å; Y18-L20 VanDerWaalsContact O-N 3.15Å; Y18-W40 PolarHBondContact N-O 2.84Å; Y18-W40 PolarHBondContact O-N 3.3Å; Y18-W40 VanDerWaalsContact O-O 3.08Å; Y18-V42 HydrophobicContact CD2-CB 3.97Å; Y18-V42 HydrophobicContact CD2-CG2 3.72Å; Y18-V42 HydrophobicContact CE2-CB 3.89Å; Y18-V42 HydrophobicContact CE2-CG2 4.09Å; Y18-A49 HydrophobicContact CE1-CB 3.9Å
19	K	53.5	Low	43.9	Very low	137 Å²	137	106.7 Å²	106.7	60%	0.596	53%	0.527	S	S	*	.			trans	-74.8	90	147.3	-81.3	168	-174.8	-177.5	0	104.3	P21 I148	K19-P21 VanDerWaalsContact O-CD 3.25Å; K19-P21 WeakPolarHBondContact O-CD 3.49Å; K19-P21 VanDerWaalsContact O-N 3.15Å; K19-I148 HydrophobicContact CD-CG2 4.04Å; K19-I148 HydrophobicContact CG-CD1 4.27Å; K19-I148 HydrophobicContact CG-CG2 3.99Å
20	L	45.8	Very low	44.1	Very low	44 Å²	44	105.5 Å²	105.5	23%	0.23	52%	0.517	C	S	.	.			trans	-61.5	119.7	178.1	-78.8	156.9	0	0	0	106.4	Y18 E22 L23 W40 V42	Y18-L20 PolarHBondContact O-N 3.28Å; Y18-L20 VanDerWaalsContact O-N 3.15Å; L20-E22 PolarHBondContact O-N 3.11Å; L20-L23 HydrophobicContact CB-CD1 4.16Å; L20-L23 HydrophobicContact CD1-CD1 3.34Å; L20-L23 HydrophobicContact CD1-CG 4.48Å; L20-L23 HydrophobicContact CD2-CD1 3.71Å; L20-L23 HydrophobicContact CD2-CG 4.14Å; L20-L23 HydrophobicContact CG-CD1 3.88Å; L20-W40 HydrophobicContact CD1-CB 3.27Å; L20-W40 HydrophobicContact CD1-CD2 4.42Å; L20-W40 HydrophobicContact CD1-CG 3.64Å; L20-W40 HydrophobicContact CG-CB 4.18Å; L20-V42 HydrophobicContact CD1-CG2 4.16Å
21	P	40.5	Very low	44.4	Very low	110 Å²	110	102.8 Å²	102.8	71%	0.714	51%	0.514	S	S	*	.			trans	-58.9	130.5	159.7	26.7	-29	0	0	0	105.2	K19 L23	K19-P21 VanDerWaalsContact O-CD 3.25Å; K19-P21 WeakPolarHBondContact O-CD 3.49Å; K19-P21 VanDerWaalsContact O-N 3.15Å; P21-L23 WeakPolarHBondContact O-CA 3.44Å; P21-L23 PolarHBondContact O-N 3.07Å
22	E	40.5	Very low	44.6	Very low	137 Å²	137	104.5 Å²	104.5	64%	0.64	52%	0.515	S	S	*	.			trans	9.5	80.5	160.1	-69.1	-169.7	162.1	0	0	113.3	L20 I24 P34	L20-E22 PolarHBondContact O-N 3.11Å; E22-I24 PolarHBondContact O-N 3.13Å; E22-P34 HydrophobicContact CB-CB 3.42Å; E22-P34 VanDerWaalsContact CB-CB 3.42Å; E22-P34 HydrophobicContact CB-CG 3.45Å; E22-P34 VanDerWaalsContact CB-CG 3.45Å; E22-P34 HydrophobicContact CG-CB 3.55Å; E22-P34 HydrophobicContact CG-CG 3.22Å; E22-P34 VanDerWaalsContact OE1-CG 3.3Å; E22-P34 WeakPolarHBondContact OE1-CG 3.1Å; E22-P34 VanDerWaalsContact OE2-CG 3.32Å; E22-P34 WeakPolarHBondContact OE2-CG 3.29Å
23	L	38.4	Very low	44.7	Very low	65 Å²	65	105 Å²	105	34%	0.34	52%	0.517	S	S	.	.			trans	-65.6	103.4	-175	-126.3	162.6	0	0	0	106.8	L20 P21 I25	L20-L23 HydrophobicContact CB-CD1 4.16Å; L20-L23 HydrophobicContact CD1-CD1 3.34Å; L20-L23 HydrophobicContact CD1-CG 4.48Å; L20-L23 HydrophobicContact CD2-CD1 3.71Å; L20-L23 HydrophobicContact CD2-CG 4.14Å; L20-L23 HydrophobicContact CG-CD1 3.88Å; P21-L23 WeakPolarHBondContact O-CA 3.44Å; P21-L23 PolarHBondContact O-N 3.07Å; L23-I25 PolarHBondContact O-N 3.23Å
24	I	40.5	Very low	44.3	Very low	98 Å²	98	100 Å²	100	50%	0.503	50%	0.5	S	S	.	.			trans	-68.1	91.9	167.5	-58.1	176	0	0	0	105.3	E22 Q26 I31	E22-I24 PolarHBondContact O-N 3.13Å; I24-Q26 VanDerWaalsContact C-N 3.27Å; I24-Q26 HydrophobicContact CG2-CG 4.42Å; I24-Q26 PolarHBondContact O-N 3.17Å; I24-I31 HydrophobicContact CD1-CG2 4.24Å; I24-I31 HydrophobicContact CG2-CG2 4.14Å
25	I	39.1	Very low	44.2	Very low	104 Å²	104	105.7 Å²	105.7	53%	0.533	52%	0.52	S	S	.	.			trans	-71.2	94.5	166.1	-56.9	177.9	0	0	0	105.2	L23 Q27 L36	L23-I25 PolarHBondContact O-N 3.23Å; I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 HydrophobicContact CG2-CG 4.16Å; I25-Q27 PolarHBondContact O-N 3.24Å; I25-L36 HydrophobicContact CD1-CD1 4.11Å
26	Q	34.7	Very low	43.9	Very low	144 Å²	144	107.1 Å²	107.1	67%	0.673	53%	0.528	S	S	*	.			trans	-68.6	92.6	172.3	-118.7	-175.8	-4.6	0	0	108.7	I24	I24-Q26 VanDerWaalsContact C-N 3.27Å; I24-Q26 HydrophobicContact CG2-CG 4.42Å; I24-Q26 PolarHBondContact O-N 3.17Å
27	Q	31.7	Very low	43.8	Very low	172 Å²	172	111.7 Å²	111.7	80%	0.804	55%	0.554	S	S	*	*			trans	-91.2	87.9	158.9	-73.7	-163.7	-9.7	0	0	108	I25	I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 HydrophobicContact CG2-CG 4.16Å; I25-Q27 PolarHBondContact O-N 3.24Å
28	G	44.8	Very low	44	Very low	51 Å²	51	112.9 Å²	112.9	53%	0.526	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	75.4	-154	-178.3	0	0	0	0	0	114.2	Q30	G28-Q30 PolarHBondContact O-N 3.05Å
29	H	34.4	Very low	44.7	Very low	200 Å²	200	110.6 Å²	110.6	93%	0.926	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	13.4	-172.3	-82.6	28.3	0	0	0	115.5
30	Q	30.3	Very low	45.8	Very low	145 Å²	145	105.6 Å²	105.6	68%	0.678	54%	0.538	S	S	*	.			trans	-110.9	118.9	174.1	-82.2	-170.4	-20.1	0	0	111.2	G28 Q32	G28-Q30 PolarHBondContact O-N 3.05Å; Q30-Q32 PolarHBondContact O-N 2.83Å
31	I	37.7	Very low	47.2	Very low	127 Å²	127	104.1 Å²	104.1	65%	0.651	53%	0.53	S	S	*	.			trans	-78	107.6	167.1	-58.1	171.3	0	0	0	106.5	I24	I24-I31 HydrophobicContact CD1-CG2 4.24Å; I24-I31 HydrophobicContact CG2-CG2 4.14Å
32	Q	39.8	Very low	48.7	Very low	115 Å²	115	99.8 Å²	99.8	54%	0.537	50%	0.502	S	S	.	.			trans	-89	143.3	168.8	-77.2	-171.6	13.4	0	0	109.9	Q30	Q30-Q32 PolarHBondContact O-N 2.83Å
33	E	43.5	Very low	50.1	Low	177 Å²	177	95.1 Å²	95.1	83%	0.827	48%	0.479	S	S	*	.			trans	-51.9	147	169.9	-79.6	-171.4	176.7	0	0	111.7	K35	E33-K35 PolarHBondContact O-N 2.87Å
34	P	44.3	Very low	51.2	Low	40 Å²	40	92.6 Å²	92.6	26%	0.26	47%	0.469	S	S	.	.			trans	-76.5	109.2	-167.4	23.9	-22.9	0	0	0	111.6	E22 L36	E22-P34 HydrophobicContact CB-CB 3.42Å; E22-P34 VanDerWaalsContact CB-CB 3.42Å; E22-P34 HydrophobicContact CB-CG 3.45Å; E22-P34 VanDerWaalsContact CB-CG 3.45Å; E22-P34 HydrophobicContact CG-CB 3.55Å; E22-P34 HydrophobicContact CG-CG 3.22Å; E22-P34 VanDerWaalsContact OE1-CG 3.3Å; E22-P34 WeakPolarHBondContact OE1-CG 3.1Å; E22-P34 VanDerWaalsContact OE2-CG 3.32Å; E22-P34 WeakPolarHBondContact OE2-CG 3.29Å; P34-L36 VanDerWaalsContact C-N 3.28Å; P34-L36 PolarHBondContact O-N 3.48Å
35	K	50.4	Low	51.7	Low	168 Å²	168	94.8 Å²	94.8	73%	0.73	48%	0.475	S	S	*	.			trans	-80.1	-0.8	-179.5	-70.1	175.7	178.6	159	0	114.7	E33	E33-K35 PolarHBondContact O-N 2.87Å
36	L	52.3	Low	52.2	Low	63 Å²	63	98.5 Å²	98.5	33%	0.33	48%	0.482	S	S	.	.			trans	-113.9	99	-169.6	-58.5	-179.9	0	0	0	110.7	I25 P34 W40	I25-L36 HydrophobicContact CD1-CD1 4.11Å; P34-L36 VanDerWaalsContact C-N 3.28Å; P34-L36 PolarHBondContact O-N 3.48Å; L36-W40 HydrophobicContact CB-CZ2 3.71Å; L36-W40 HydrophobicContact CD1-CH2 3.98Å; L36-W40 HydrophobicContact CD1-CZ2 3.85Å; L36-W40 HydrophobicContact CD2-CH2 3.8Å; L36-W40 HydrophobicContact CD2-CZ2 3.62Å; L36-W40 HydrophobicContact CG-CH2 4.33Å; L36-W40 HydrophobicContact CG-CZ2 3.9Å
37	Q	58.1	Low	52.4	Low	180 Å²	180	92 Å²	92	84%	0.841	45%	0.453	S	S	*	.			trans	-95.9	144.6	173.5	-67.1	-179.9	2.3	0	0	111.2
38	G	64.6	Low	52.5	Low	36 Å²	36	93.9 Å²	93.9	37%	0.371	45%	0.453	S	S	.	.	S	Bend	trans	98.9	176.8	175.9	0	0	0	0	0	114.7	W40	G38-W40 PolarHBondContact O-NE1 2.9Å
39	P	73.1	Confident	52.1	Low	9 Å²	9	94.1 Å²	94.1	6%	0.058	45%	0.45	C	S	.	.			trans	-75.9	151.3	-177.9	28.3	-31.3	0	0	0	113.9	Y100 E102 I148	P39-Y100 HydrophobicContact CB-CD1 4.35Å; P39-Y100 HydrophobicContact CG-CD1 4.04Å; P39-Y100 WeakPolarHBondContact O-CB 3.36Å; P39-Y100 PolarHBondContact O-N 3.11Å; P39-E102 VanDerWaalsContact CD-OE1 3.32Å; P39-E102 WeakPolarHBondContact CD-OE1 3.26Å; P39-E102 VanDerWaalsContact CG-CD 3.5Å; P39-E102 HydrophobicContact CG-CG 3.4Å; P39-E102 VanDerWaalsContact CG-CG 3.4Å; P39-I148 HydrophobicContact CB-CD1 3.16Å; P39-I148 HydrophobicContact CG-CD1 4.04Å
40	W	77.8	Confident	52.1	Low	33 Å²	33	91.5 Å²	91.5	13%	0.125	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.7	-177	-69.8	80	0	0	0	111	I17 Y18 L20 L36 G38 A97 Q98 R99	I17-W40 WeakPolarHBondContact CG2-O 3.33Å; Y18-W40 PolarHBondContact N-O 2.84Å; Y18-W40 PolarHBondContact O-N 3.3Å; Y18-W40 VanDerWaalsContact O-O 3.08Å; L20-W40 HydrophobicContact CD1-CB 3.27Å; L20-W40 HydrophobicContact CD1-CD2 4.42Å; L20-W40 HydrophobicContact CD1-CG 3.64Å; L20-W40 HydrophobicContact CG-CB 4.18Å; L36-W40 HydrophobicContact CB-CZ2 3.71Å; L36-W40 HydrophobicContact CD1-CH2 3.98Å; L36-W40 HydrophobicContact CD1-CZ2 3.85Å; L36-W40 HydrophobicContact CD2-CH2 3.8Å; L36-W40 HydrophobicContact CD2-CZ2 3.62Å; L36-W40 HydrophobicContact CG-CH2 4.33Å; L36-W40 HydrophobicContact CG-CZ2 3.9Å; G38-W40 PolarHBondContact O-NE1 2.9Å; W40-A97 HydrophobicContact CE3-CB 4.21Å; W40-Q98 CarbonylContact C-O 3.58Å; W40-Q98 WeakPolarHBondContact CA-O 3.39Å; W40-R99 HydrophobicContact CE3-CB 4.48Å; W40-R99 VanDerWaalsContact CE3-N 3.29Å; W40-R99 HydrophobicContact CH2-CB 4.15Å; W40-R99 HydrophobicContact CZ2-CB 4.34Å; W40-R99 HydrophobicContact CZ3-CB 4.24Å; W40-R99 VanDerWaalsContact CZ3-N 3.35Å
41	I	75.8	Confident	52.1	Low	12 Å²	12	89 Å²	89	6%	0.062	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.8	170.9	-166.4	157	0	0	0	109.4	Q15 I17 Q98 Y100 L155	Q15-I41 HydrophobicContact CG-CD1 4.17Å; Q15-I41 HydrophobicContact CG-CG1 4.25Å; I17-I41 HydrophobicContact CD1-CD1 4.12Å; I17-I41 HydrophobicContact CG1-CB 4.21Å; I17-I41 HydrophobicContact CG1-CD1 3.68Å; I17-I41 HydrophobicContact CG1-CG1 3.77Å; I41-Q98 HydrophobicContact CG2-CB 3.84Å; I41-Q98 HydrophobicContact CG2-CG 4.38Å; I41-Q98 PolarHBondContact N-O 3.29Å; I41-Q98 PolarHBondContact O-N 3.45Å; I41-Y100 HydrophobicContact CB-CD2 4.24Å; I41-Y100 HydrophobicContact CD1-CD2 4.47Å; I41-L155 HydrophobicContact CD1-CD2 4.08Å
42	V	71.1	Confident	51.8	Low	20 Å²	20	90.9 Å²	90.9	12%	0.121	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.7	178.1	-178.1	0	0	0	0	108.5	R16 Y18 L20 Y95 V96 A97	R16-V42 PolarHBondContact N-O 3.09Å; R16-V42 VanDerWaalsContact N-O 3.12Å; R16-V42 PolarHBondContact O-N 3.09Å; Y18-V42 HydrophobicContact CD2-CB 3.97Å; Y18-V42 HydrophobicContact CD2-CG2 3.72Å; Y18-V42 HydrophobicContact CE2-CB 3.89Å; Y18-V42 HydrophobicContact CE2-CG2 4.09Å; L20-V42 HydrophobicContact CD1-CG2 4.16Å; V42-Y95 HydrophobicContact CG1-CD1 3.9Å; V42-Y95 HydrophobicContact CG1-CG 4.14Å; V42-V96 WeakPolarHBondContact CA-O 3.42Å; V42-A97 HydrophobicContact CG2-CB 4.37Å
43	K	69.7	Low	51.2	Low	38 Å²	38	91.3 Å²	91.3	17%	0.165	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.4	179.6	-58.6	-169.3	167.1	179.9	0	110.3	Q15 Y95 V96 L240 E241	Q15-K43 HydrophobicContact CG-CD 4.29Å; Q15-K43 HydrophobicContact CG-CG 3.7Å; K43-Y95 WeakPolarHBondContact O-CA 3.26Å; K43-V96 PolarHBondContact N-O 3.38Å; K43-V96 PolarHBondContact O-N 2.99Å; K43-V96 VanDerWaalsContact O-N 3.07Å; K43-L240 PolarHBondContact NZ-O 3.45Å; K43-E241 IonicContact NZ-OE2 3.5Å; K43-E241 PolarHBondContact NZ-OE2 3.04Å
44	G	61.8	Low	50.5	Low	13 Å²	13	88.2 Å²	88.2	13%	0.134	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	178	177.1	0	0	0	0	0	113.9	T14	T14-G44 PolarHBondContact N-O 3.01Å; T14-G44 PolarHBondContact O-N 2.91Å
45	K	50.8	Low	49.9	Very low	143 Å²	143	92.6 Å²	92.6	62%	0.622	47%	0.473	S	S	*	.	S	Bend	trans	-80	-25.8	179.8	-75.1	-176.1	178.9	177.5	0	112.7	P11 E12	P11-K45 HydrophobicContact CG-CD 4.47Å; E12-K45 VanDerWaalsContact O-O 3.11Å
46	R	50.6	Low	48.9	Very low	182 Å²	182	92.2 Å²	92.2	69%	0.687	47%	0.474	S	S	*	.	S	Bend	trans	-149.1	84.6	165.6	-66.8	179.1	179.1	165.1	0.4	112	T14 R48 E93 Y95	T14-R46 WeakPolarHBondContact OG1-CA 3.26Å; R46-R48 PolarHBondContact O-N 2.94Å; R46-E93 WeakPolarHBondContact CA-OE2 3.4Å; R46-E93 WeakPolarHBondContact CB-OE1 3.42Å; R46-E93 PolarHBondContact N-OE2 3.18Å; R46-Y95 PolarHBondContact O-OH 3.05Å
47	A	38.1	Very low	47.8	Very low	7 Å²	7	96.6 Å²	96.6	6%	0.058	50%	0.498	C	S	.	.			trans	-69.7	95.4	174.2	0	0	0	0	0	111.7	T14 R16 Y95	T14-A47 PolarHBondContact OG1-N 3.42Å; R16-A47 HydrophobicContact CG-CB 4.27Å; R16-A47 PolarHBondContact NE-O 2.91Å; R16-A47 VanDerWaalsContact NE-O 3.16Å; A47-Y95 HydrophobicContact CB-CE1 4.23Å
48	R	34	Very low	46.5	Very low	212 Å²	212	95.1 Å²	95.1	80%	0.8	49%	0.491	S	S	*	.			trans	-103.6	121.5	157.6	-105.6	-177.1	178	175.1	-1.5	107.6	R46	R46-R48 PolarHBondContact O-N 2.94Å
49	A	36.3	Very low	44.8	Very low	56 Å²	56	99.2 Å²	99.2	46%	0.463	51%	0.511	S	S	.	.			trans	-91.6	113.2	161.7	0	0	0	0	0	106.2	Y18	Y18-A49 HydrophobicContact CE1-CB 3.9Å
50	E	34.9	Very low	42.8	Very low	145 Å²	145	107.6 Å²	107.6	68%	0.678	55%	0.549	S	S	*	.			trans	-79	128.2	158.7	-70.4	-179.8	175.5	0	0	106.5	I52	E50-I52 PolarHBondContact O-N 3.38Å
51	S	28.8	Very low	40.4	Very low	94 Å²	94	115.3 Å²	115.3	66%	0.657	59%	0.586	S	S	*	*			trans	-62.6	116.9	168.9	45.4	0	0	0	0	107.3	D53	S51-D53 VanDerWaalsContact C-N 3.27Å; S51-D53 PolarHBondContact O-N 2.67Å
52	I	32.8	Very low	38.3	Very low	166 Å²	166	122.8 Å²	122.8	85%	0.851	62%	0.62	S	S	*	*			trans	-72.6	94.1	166.6	-58.2	172.3	0	0	0	105.2	E50	E50-I52 PolarHBondContact O-N 3.38Å
53	D	26.4	Very low	36.3	Very low	124 Å²	124	128.8 Å²	128.8	66%	0.663	66%	0.658	S	S	*	*			trans	-64.9	132.6	165.6	-75.2	-34	0	0	0	107.7	S51 V55	S51-D53 VanDerWaalsContact C-N 3.27Å; S51-D53 PolarHBondContact O-N 2.67Å; D53-V55 PolarHBondContact O-N 3.04Å
54	P	29.3	Very low	34.3	Very low	111 Å²	111	136 Å²	136	72%	0.721	69%	0.691	S	S	*	*			trans	-64.8	123.3	178.6	24.5	-30.1	0	0	0	109.1	Q56	P54-Q56 PolarHBondContact O-N 3.25Å; P54-Q56 VanDerWaalsContact O-N 3.08Å
55	V	31.8	Very low	32.6	Very low	132 Å²	132	138.8 Å²	138.8	80%	0.8	72%	0.72	S	S	*	*			trans	-55.3	113.9	171.9	178.4	0	0	0	0	108.1	D53 D57	D53-V55 PolarHBondContact O-N 3.04Å; V55-D57 PolarHBondContact O-N 3.03Å
56	Q	29.1	Very low	31.4	Very low	161 Å²	161	144.1 Å²	144.1	75%	0.752	74%	0.736	S	S	*	*			trans	-76.1	106.3	167.8	-76.6	-175.5	-19.3	0	0	108	P54 H58	P54-Q56 PolarHBondContact O-N 3.25Å; P54-Q56 VanDerWaalsContact O-N 3.08Å; Q56-H58 PolarHBondContact O-N 3.14Å
57	D	28.8	Very low	30.7	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	74%	0.739	S	S	*	*			trans	-65.8	109.2	166.6	-93.8	-23.2	0	0	0	109.1	V55	V55-D57 PolarHBondContact O-N 3.03Å
58	H	30.3	Very low	30.1	Very low	149 Å²	149	145.7 Å²	145.7	69%	0.69	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-93.5	125.8	161	-79	-58.5	0	0	0	108.8	Q56 H60	Q56-H58 PolarHBondContact O-N 3.14Å; H58-H60 PolarHBondContact O-N 3.07Å
59	P	29.9	Very low	30.2	Very low	122 Å²	122	141 Å²	141	79%	0.792	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-74.8	124.9	177.5	26.6	-26.1	0	0	0	110	E61	P59-E61 PolarHBondContact O-N 2.93Å
60	H	30.5	Very low	29.8	Very low	184 Å²	184	147.4 Å²	147.4	85%	0.852	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-71.4	116.2	171.7	-76.7	-79.4	0	0	0	110.8	H58	H58-H60 PolarHBondContact O-N 3.07Å
61	E	28	Very low	29.5	Very low	195 Å²	195	145.6 Å²	145.6	91%	0.911	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.7	120.1	161.4	-91	-176	154.6	0	0	110.2	P59	P59-E61 PolarHBondContact O-N 2.93Å
62	H	30.7	Very low	29.4	Very low	169 Å²	169	152.2 Å²	152.2	78%	0.782	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.7	125.2	168.1	-85.2	-69.3	0	0	0	110.5
63	T	29.6	Very low	29	Very low	147 Å²	147	153 Å²	153	90%	0.902	81%	0.812	S	S	*	*			trans	-138.8	130.3	152.7	41.4	0	0	0	0	112
64	H	28	Very low	29	Very low	189 Å²	189	151.1 Å²	151.1	88%	0.875	82%	0.822	S	S	*	*			trans	-80.2	145.4	-178	-78.5	-82.6	0	0	0	114
65	G	25.2	Very low	28.9	Very low	72 Å²	72	149.2 Å²	149.2	74%	0.742	82%	0.823	S	S	*	*				105.2	112.6	123.9	0	0	0	0	0	119.8
66	R	27	Very low	28.7	Very low	254 Å²	254	148.7 Å²	148.7	96%	0.958	83%	0.825	S	S	*	*				164.3	155.4	108.1	-92.7	-172.7	179.8	-158.4	1.4	112.1
67	P	34.3	Very low	28.9	Very low	113 Å²	113	150.9 Å²	150.9	73%	0.734	84%	0.835	S	S	*	*			trans	-109.7	174.1	-170.2	39.1	-28	0	0	0	115.6
68	S	26.1	Very low	29	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	82%	0.823	S	S	*	*			trans	111.3	158.5	154.2	-51.1	0	0	0	0	117.4
69	P	37.3	Very low	29.1	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	83%	0.826	S	S	*	*				-137.7	173.7	-65.2	40.6	-23.3	0	0	0	115.2
70	Q	26.4	Very low	29	Very low	191 Å²	191	146.5 Å²	146.5	89%	0.893	83%	0.828	S	S	*	*			trans	79	116.6	158.6	-67.4	179.8	-2.2	0	0	121.5
71	A	29	Very low	29.3	Very low	106 Å²	106	147.8 Å²	147.8	88%	0.876	83%	0.825	S	S	*	*				-170.4	138.6	116.1	0	0	0	0	0	111.3
72	R	26.1	Very low	29.5	Very low	233 Å²	233	142.4 Å²	142.4	88%	0.879	81%	0.809	S	S	*	*			trans	-80.8	150.4	-176.4	-64.2	168.4	157.4	-179.2	-6.6	112.6
73	M	26.4	Very low	29.8	Very low	184 Å²	184	140.1 Å²	140.1	91%	0.906	81%	0.812	S	S	*	*				153.9	120.2	113.8	-86	-86	-136.4	0	0	112.4
74	G	26	Very low	30.3	Very low	83 Å²	83	138.9 Å²	138.9	86%	0.856	80%	0.8	S	S	*	*			trans	80.6	110.8	134.6	0	0	0	0	0	119.4
75	G	25.7	Very low	31.1	Very low	72 Å²	72	136.7 Å²	136.7	74%	0.742	80%	0.795	S	S	*	*			trans	163.8	97	157.6	0	0	0	0	0	115.6
76	S	29.6	Very low	31.7	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	80%	0.8	S	S	*	*			trans	46.6	118.4	150.4	60.1	0	0	0	0	120.6	G78	S76-G78 PolarHBondContact O-N 2.83Å
77	E	32.9	Very low	32.7	Very low	207 Å²	207	138.7 Å²	138.7	97%	0.967	79%	0.793	S	S	*	*			trans	-46.6	120.2	160.6	-65.6	169.7	148.6	0	0	111.9
78	G	30.6	Very low	33.4	Very low	56 Å²	56	139.7 Å²	139.7	58%	0.577	79%	0.793	S	S	*	*			trans	-145.8	100.5	172.9	0	0	0	0	0	108.5	S76 T80	S76-G78 PolarHBondContact O-N 2.83Å; G78-T80 PolarHBondContact O-N 2.8Å; G78-T80 PolarHBondContact O-OG1 3.01Å; G78-T80 VanDerWaalsContact O-OG1 3.13Å
79	D	31.6	Very low	34.7	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	80%	0.795	S	S	*	*			trans	-55.8	94.5	-178	-151.8	14.1	0	0	0	110.2	R81	D79-R81 PolarHBondContact O-N 3.38Å
80	T	29.4	Very low	35.7	Very low	136 Å²	136	142.4 Å²	142.4	83%	0.834	79%	0.791	S	S	*	*			trans	-90.6	81.1	178.1	-42.5	0	0	0	0	107.8	G78 S82	G78-T80 PolarHBondContact O-N 2.8Å; G78-T80 PolarHBondContact O-OG1 3.01Å; G78-T80 VanDerWaalsContact O-OG1 3.13Å; T80-S82 PolarHBondContact O-N 3.36Å
81	R	34.9	Very low	37.1	Very low	211 Å²	211	138.1 Å²	138.1	80%	0.796	78%	0.779	S	S	*	*			trans	-67.8	112.7	165.2	-72.5	-177.6	-176.1	-174.1	-1.3	107.9	D79 S83	D79-R81 PolarHBondContact O-N 3.38Å; R81-S83 PolarHBondContact O-N 2.93Å
82	S	34.1	Very low	38.7	Very low	82 Å²	82	139.7 Å²	139.7	57%	0.573	78%	0.778	S	S	*	*			trans	-41.5	119.6	165.6	-179	0	0	0	0	109.8	T80 D84	T80-S82 PolarHBondContact O-N 3.36Å; S82-D84 PolarHBondContact O-N 3.42Å; S82-D84 PolarHBondContact OG-OD2 2.93Å
83	S	35.7	Very low	40.6	Very low	121 Å²	121	131.3 Å²	131.3	85%	0.846	75%	0.749	S	S	*	*			trans	-74.2	71.6	169.6	52.5	0	0	0	0	109.1	R81	R81-S83 PolarHBondContact O-N 2.93Å
84	D	39.7	Very low	43	Very low	121 Å²	121	129.7 Å²	129.7	65%	0.647	74%	0.744	S	S	*	*			trans	-81.8	120.5	168.4	-77.4	-48.1	0	0	0	109.4	S82	S82-D84 PolarHBondContact O-N 3.42Å; S82-D84 PolarHBondContact OG-OD2 2.93Å
85	D	45	Very low	45.5	Very low	144 Å²	144	130.3 Å²	130.3	77%	0.77	72%	0.721	S	S	*	*			trans	54.6	66.3	147	-62	-29.8	0	0	0	118.3	K87	D85-K87 PolarHBondContact O-N 3.31Å
86	Q	38.8	Very low	48.3	Very low	181 Å²	181	131.4 Å²	131.4	85%	0.846	71%	0.713	S	S	*	*			trans	-84.8	77.8	142.4	-82.6	-177	-1.4	0	0	108.5	D88	Q86-D88 PolarHBondContact O-N 3.23Å
87	K	46.9	Very low	50.9	Low	187 Å²	187	128 Å²	128	81%	0.813	69%	0.693	S	S	*	*			trans	-69.9	91.9	158.1	-154.5	177.2	-168.8	177.2	0	105.1	D85 D89	D85-K87 PolarHBondContact O-N 3.31Å; K87-D89 PolarHBondContact O-N 2.85Å
88	D	48.8	Very low	53.3	Low	134 Å²	134	121.4 Å²	121.4	72%	0.717	66%	0.662	S	S	*	*			trans	-49.4	109.7	169.5	-81	-34.6	0	0	0	106.9	Q86 I90	Q86-D88 PolarHBondContact O-N 3.23Å; D88-I90 PolarHBondContact O-N 3Å
89	D	53.5	Low	56	Low	155 Å²	155	126.3 Å²	126.3	83%	0.829	66%	0.663	S	S	*	*			trans	-62	88.9	171.2	-89.1	-31.6	0	0	0	106.7	K87 P91	K87-D89 PolarHBondContact O-N 2.85Å; D89-P91 WeakPolarHBondContact O-CD 3.37Å
90	I	58.2	Low	58.7	Low	124 Å²	124	120 Å²	120	64%	0.636	63%	0.628	S	S	*	*			trans	-57.5	115.8	173.7	-59.5	172.4	0	0	0	105.2	D88 V92	D88-I90 PolarHBondContact O-N 3Å; I90-V92 PolarHBondContact O-N 3.04Å
91	P	57	Low	61.7	Low	101 Å²	101	114.9 Å²	114.9	66%	0.656	60%	0.596	S	S	*	*			trans	-56.7	123.1	-177.5	-23.4	32.8	0	0	0	108.7	D89 E93	D89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-E93 PolarHBondContact O-N 2.91Å
92	V	61.1	Low	64.4	Low	139 Å²	139	108.1 Å²	108.1	84%	0.842	57%	0.573	S	S	*	*			trans	-61.9	103.7	175	179.4	0	0	0	0	107.6	I90	I90-V92 PolarHBondContact O-N 3.04Å
93	E	65.9	Low	67.3	Low	57 Å²	57	108.4 Å²	108.4	27%	0.266	57%	0.568	S	S	.	*			trans	-84.2	136.6	177.8	-75.1	-161.3	-173.9	0	0	110.4	R46 P91 Y95	R46-E93 WeakPolarHBondContact CA-OE2 3.4Å; R46-E93 WeakPolarHBondContact CB-OE1 3.42Å; R46-E93 PolarHBondContact N-OE2 3.18Å; P91-E93 PolarHBondContact O-N 2.91Å; E93-Y95 HydrophobicContact CB-CD2 4.34Å; E93-Y95 HydrophobicContact CB-CE2 3.52Å; E93-Y95 WeakPolarHBondContact O-CD2 3.36Å; E93-Y95 VanDerWaalsContact O-CE2 3.29Å; E93-Y95 WeakPolarHBondContact O-CE2 3.4Å; E93-Y95 PolarHBondContact OE2-OH 3.31Å
94	N	78.3	Confident	70.2	Confident	151 Å²	151	103 Å²	103	81%	0.807	53%	0.53	S	S	*	.			trans	-79.3	127.3	174.3	-69	-44.4	0	0	0	110.1
95	Y	78.9	Confident	72.9	Confident	96 Å²	96	97.8 Å²	97.8	38%	0.376	50%	0.501	S	S	.	.			trans	-122	153.8	176.3	-62.8	-84.2	0	0	0	111.2	V42 K43 R46 A47 E93	V42-Y95 HydrophobicContact CG1-CD1 3.9Å; V42-Y95 HydrophobicContact CG1-CG 4.14Å; K43-Y95 WeakPolarHBondContact O-CA 3.26Å; R46-Y95 PolarHBondContact O-OH 3.05Å; A47-Y95 HydrophobicContact CB-CE1 4.23Å; E93-Y95 HydrophobicContact CB-CD2 4.34Å; E93-Y95 HydrophobicContact CB-CE2 3.52Å; E93-Y95 WeakPolarHBondContact O-CD2 3.36Å; E93-Y95 VanDerWaalsContact O-CE2 3.29Å; E93-Y95 WeakPolarHBondContact O-CE2 3.4Å; E93-Y95 PolarHBondContact OE2-OH 3.31Å
96	V	83.3	Confident	75.4	Confident	94 Å²	94	93.5 Å²	93.5	57%	0.57	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.3	167.1	179.1	0	0	0	0	108.2	V42 K43	V42-V96 WeakPolarHBondContact CA-O 3.42Å; K43-V96 PolarHBondContact N-O 3.38Å; K43-V96 PolarHBondContact O-N 2.99Å; K43-V96 VanDerWaalsContact O-N 3.07Å
97	A	83.6	Confident	78	Confident	51 Å²	51	85.3 Å²	85.3	42%	0.421	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.6	166.7	0	0	0	0	0	109	W40 V42	W40-A97 HydrophobicContact CE3-CB 4.21Å; V42-A97 HydrophobicContact CG2-CB 4.37Å
98	Q	84.4	Confident	80.1	Confident	67 Å²	67	79.2 Å²	79.2	31%	0.313	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.1	-178.8	-179	-177.6	28.3	0	0	109.7	W40 I41 Y100	W40-Q98 CarbonylContact C-O 3.58Å; W40-Q98 WeakPolarHBondContact CA-O 3.39Å; I41-Q98 HydrophobicContact CG2-CB 3.84Å; I41-Q98 HydrophobicContact CG2-CG 4.38Å; I41-Q98 PolarHBondContact N-O 3.29Å; I41-Q98 PolarHBondContact O-N 3.45Å; Q98-Y100 PolarHBondContact O-N 3.16Å
99	R	87.6	Confident	82.1	Confident	159 Å²	159	74.1 Å²	74.1	60%	0.6	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	129.3	174.8	-168.8	177	84.7	148.1	3.7	109.5	W40	W40-R99 HydrophobicContact CE3-CB 4.48Å; W40-R99 VanDerWaalsContact CE3-N 3.29Å; W40-R99 HydrophobicContact CH2-CB 4.15Å; W40-R99 HydrophobicContact CZ2-CB 4.34Å; W40-R99 HydrophobicContact CZ3-CB 4.24Å; W40-R99 VanDerWaalsContact CZ3-N 3.35Å
100	Y	87.9	Confident	83.9	Confident	8 Å²	8	70 Å²	70	3%	0.031	38%	0.383	C	S	.	.			trans	-74.9	142.4	179.8	-174	-106	0	0	0	110.7	I17 P39 I41 Q98 E102 K111 F143 L145 H154	I17-Y100 HydrophobicContact CD1-CD2 4.16Å; I17-Y100 HydrophobicContact CD1-CE2 3.59Å; I17-Y100 HydrophobicContact CG1-CD2 4.42Å; I17-Y100 HydrophobicContact CG1-CE2 4.31Å; I17-Y100 HydrophobicContact CG2-CD2 4.19Å; I17-Y100 HydrophobicContact CG2-CE2 4.5Å; I17-Y100 HydrophobicContact CG2-CG 4.38Å; P39-Y100 HydrophobicContact CB-CD1 4.35Å; P39-Y100 HydrophobicContact CG-CD1 4.04Å; P39-Y100 WeakPolarHBondContact O-CB 3.36Å; P39-Y100 PolarHBondContact O-N 3.11Å; I41-Y100 HydrophobicContact CB-CD2 4.24Å; I41-Y100 HydrophobicContact CD1-CD2 4.47Å; Q98-Y100 PolarHBondContact O-N 3.16Å; Y100-E102 HydrophobicContact CD1-CG 4.22Å; Y100-E102 PolarHBondContact O-N 2.87Å; Y100-K111 PolarHBondContact OH-NZ 2.85Å; Y100-F143 HydrophobicContact CE1-CZ 4.45Å; Y100-F143 WeakPolarHBondContact OH-CE2 3.21Å; Y100-L145 HydrophobicContact CE1-CD2 4.09Å; Y100-H154 AromaticContact CZ-ND1 3.88Å; Y100-H154 PolarHBondContact OH-ND1 2.84Å
101	I	91.6	Very high	85.5	Confident	29 Å²	29	64.9 Å²	64.9	15%	0.149	36%	0.356	C	S	.	.			trans	-86.9	100.1	175.9	-62.9	166.8	0	0	0	107.4	L230 D232 W238 L240	I101-L230 HydrophobicContact CB-CD2 3.7Å; I101-L230 HydrophobicContact CD1-CB 4.47Å; I101-L230 HydrophobicContact CD1-CD2 3.56Å; I101-L230 HydrophobicContact CG1-CD2 4.19Å; I101-L230 HydrophobicContact CG2-CD2 3.84Å; I101-D232 HydrophobicContact CG2-CB 4.17Å; I101-W238 HydrophobicContact CD1-CB 3.67Å; I101-W238 HydrophobicContact CD1-CD2 3.87Å; I101-W238 HydrophobicContact CD1-CE3 4.48Å; I101-W238 HydrophobicContact CD1-CG 3.49Å; I101-W238 VanDerWaalsContact CD1-CG 3.49Å; I101-L240 HydrophobicContact CD1-CD2 4.5Å
102	E	91.9	Very high	87.3	Confident	70 Å²	70	60.1 Å²	60.1	33%	0.327	33%	0.325	S	S	.	.	S	Bend	trans	-72.7	-30.4	-172.7	-68.5	178.2	-110.7	0	0	113.6	P39 Y100 P104 F143 L145	P39-E102 VanDerWaalsContact CD-OE1 3.32Å; P39-E102 WeakPolarHBondContact CD-OE1 3.26Å; P39-E102 VanDerWaalsContact CG-CD 3.5Å; P39-E102 HydrophobicContact CG-CG 3.4Å; P39-E102 VanDerWaalsContact CG-CG 3.4Å; Y100-E102 HydrophobicContact CD1-CG 4.22Å; Y100-E102 PolarHBondContact O-N 2.87Å; E102-P104 WeakPolarHBondContact O-CD 3.5Å; E102-F143 WeakPolarHBondContact O-CE1 3.25Å; E102-F143 WeakPolarHBondContact O-CZ 3.37Å; E102-L145 HydrophobicContact CB-CD1 4.08Å
103	N	95.1	Very high	89	Confident	88 Å²	88	53.6 Å²	53.6	47%	0.471	29%	0.285	S	S	.	.	S	Bend	trans	-115.1	65.5	-177.1	-58.6	-52	0	0	0	111.4	D232 Q233	N103-D232 WeakPolarHBondContact O-CA 3.39Å; N103-D232 WeakPolarHBondContact O-CB 3.08Å; N103-Q233 HydrophobicContact CB-CB 4.38Å; N103-Q233 VanDerWaalsContact CB-CD 3.47Å; N103-Q233 HydrophobicContact CB-CG 3.94Å; N103-Q233 PolarHBondContact O-N 3.31Å
104	P	96.3	Very high	90.5	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.039	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-68.1	151.9	175.6	31.4	-34.6	0	0	0	110.4	E102 L106 K111 F143 L230	E102-P104 WeakPolarHBondContact O-CD 3.5Å; P104-L106 HydrophobicContact CG-CD2 3.99Å; P104-L106 WeakPolarHBondContact O-CG 3.48Å; P104-L106 PolarHBondContact O-N 3.44Å; P104-K111 HydrophobicContact CB-CG 4.27Å; P104-K111 HydrophobicContact CG-CD 4.37Å; P104-K111 HydrophobicContact CG-CG 4.22Å; P104-F143 VanDerWaalsContact CD-CZ 3.47Å; P104-F143 HydrophobicContact CG-CD1 4.24Å; P104-F143 HydrophobicContact CG-CD2 4.06Å; P104-F143 HydrophobicContact CG-CE1 3.9Å; P104-F143 HydrophobicContact CG-CE2 3.68Å; P104-F143 HydrophobicContact CG-CG 4.3Å; P104-F143 HydrophobicContact CG-CZ 3.6Å; P104-L230 HydrophobicContact CB-CD2 4.4Å
105	Y	97.4	Very high	91.4	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.047	24%	0.237	C	C	.	.			trans	-63.5	133.1	168.1	-167.9	-103.3	0	0	0	109.7	I107 F112 Y183 L184 K187 H188 I231 D232 L235	Y105-I107 HydrophobicContact CD1-CG1 4.27Å; Y105-I107 HydrophobicContact CE1-CD1 4.38Å; Y105-I107 HydrophobicContact CE1-CG1 3.89Å; Y105-F112 AromaticContact CD1-CE1 3.71Å; Y105-F112 HydrophobicContact CD1-CE1 3.71Å; Y105-F112 AromaticContact CD1-CZ 3.78Å; Y105-F112 HydrophobicContact CD1-CZ 3.78Å; Y105-F112 WeakPolarHBondContact O-CE1 3.39Å; Y105-Y183 HydrophobicContact CE1-CE1 4.5Å; Y105-L184 HydrophobicContact CD1-CD2 4.28Å; Y105-L184 HydrophobicContact CE1-CD2 3.47Å; Y105-L184 VanDerWaalsContact CE1-CD2 3.47Å; Y105-K187 VanDerWaalsContact OH-CD 3.3Å; Y105-K187 WeakPolarHBondContact OH-CD 3.39Å; Y105-K187 WeakPolarHBondContact OH-CE 3.31Å; Y105-K187 PolarHBondContact OH-NZ 3.39Å; Y105-H188 AromaticContact CE2-CE1 3.93Å; Y105-H188 AromaticContact CE2-NE2 3.3Å; Y105-H188 VanDerWaalsContact CE2-NE2 3.3Å; Y105-H188 WeakPolarHBondContact CE2-NE2 3.28Å; Y105-H188 AromaticContact CZ-NE2 3.33Å; Y105-H188 VanDerWaalsContact CZ-NE2 3.33Å; Y105-H188 PolarHBondContact OH-NE2 2.99Å; Y105-I231 WeakPolarHBondContact CB-O 3.44Å; Y105-I231 PolarHBondContact N-O 2.88Å; Y105-D232 WeakPolarHBondContact CB-O 3.33Å; Y105-L235 HydrophobicContact CD2-CD2 3.99Å; Y105-L235 HydrophobicContact CE2-CD2 4Å
106	L	96	Very high	92.3	Very high	54 Å²	54	39.9 Å²	39.9	28%	0.283	22%	0.219	S	C	.	.			trans	-116.5	141.3	-176.4	-57.3	179.9	0	0	0	111.4	P104 R110 K111 F143	P104-L106 HydrophobicContact CG-CD2 3.99Å; P104-L106 WeakPolarHBondContact O-CG 3.48Å; P104-L106 PolarHBondContact O-N 3.44Å; L106-R110 WeakPolarHBondContact CA-O 3.47Å; L106-K111 HydrophobicContact CD2-CB 4.26Å; L106-F143 HydrophobicContact CD1-CB 3.91Å; L106-F143 HydrophobicContact CD1-CD1 4.05Å; L106-F143 HydrophobicContact CD1-CG 4.33Å; L106-F143 HydrophobicContact CD2-CB 3.55Å; L106-F143 HydrophobicContact CD2-CD1 4.17Å; L106-F143 HydrophobicContact CD2-CG 3.84Å; L106-F143 HydrophobicContact CG-CB 4.41Å
107	I	94.4	Very high	93.1	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.046	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-119.5	119.2	170.4	-58.8	-180	0	0	0	108.1	Y105 G109 R110 F112 F138 W175 F180 Y183	Y105-I107 HydrophobicContact CD1-CG1 4.27Å; Y105-I107 HydrophobicContact CE1-CD1 4.38Å; Y105-I107 HydrophobicContact CE1-CG1 3.89Å; I107-G109 PolarHBondContact O-N 2.77Å; I107-R110 PolarHBondContact N-O 2.91Å; I107-R110 PolarHBondContact O-N 2.78Å; I107-R110 VanDerWaalsContact O-N 3.09Å; I107-F112 HydrophobicContact CD1-CD1 4.35Å; I107-F112 HydrophobicContact CD1-CE1 3.98Å; I107-F112 HydrophobicContact CD1-CZ 4.41Å; I107-F112 HydrophobicContact CG1-CD1 4.28Å; I107-F112 HydrophobicContact CG1-CE1 3.89Å; I107-F138 HydrophobicContact CB-CE1 3.87Å; I107-F138 HydrophobicContact CD1-CE1 4.13Å; I107-F138 HydrophobicContact CD1-CZ 4.14Å; I107-F138 HydrophobicContact CG1-CE1 4.37Å; I107-F138 HydrophobicContact CG2-CE1 4.4Å; I107-W175 HydrophobicContact CD1-CE3 4.35Å; I107-W175 HydrophobicContact CD1-CZ3 3.87Å; I107-W175 HydrophobicContact CG2-CH2 3.57Å; I107-W175 HydrophobicContact CG2-CZ2 4.19Å; I107-W175 HydrophobicContact CG2-CZ3 3.99Å; I107-F180 HydrophobicContact CD1-CD2 3.89Å; I107-F180 HydrophobicContact CD1-CE2 3.76Å; I107-Y183 HydrophobicContact CB-CE1 4.49Å; I107-Y183 HydrophobicContact CD1-CD1 3.76Å; I107-Y183 HydrophobicContact CD1-CE1 3.73Å; I107-Y183 HydrophobicContact CG1-CD1 4.3Å; I107-Y183 HydrophobicContact CG1-CE1 3.74Å; I107-Y183 HydrophobicContact CG2-CE1 4.08Å
108	G	90.7	Very high	93.8	Very high	60 Å²	60	33 Å²	33	62%	0.619	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	29.3	-173.2	0	0	0	0	0	113	R110	G108-R110 VanDerWaalsContact C-N 3.29Å; G108-R110 PolarHBondContact O-N 2.84Å
109	G	91.1	Very high	94.4	Very high	27 Å²	27	29.8 Å²	29.8	28%	0.278	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	11.1	-177	0	0	0	0	0	114.8	I107 R142 F143	I107-G109 PolarHBondContact O-N 2.77Å; G109-R142 CarbonylContact O-C 3.5Å; G109-R142 VanDerWaalsContact O-CA 3.26Å; G109-R142 WeakPolarHBondContact O-CA 3.45Å; G109-F143 PolarHBondContact O-N 3.07Å
110	R	90.5	Very high	94.9	Very high	69 Å²	69	22.3 Å²	22.3	26%	0.26	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.8	-179.9	-62.2	-174.5	-64.8	-178.2	0.2	111.3	L106 I107 G108 F138 S139	L106-R110 WeakPolarHBondContact CA-O 3.47Å; I107-R110 PolarHBondContact N-O 2.91Å; I107-R110 PolarHBondContact O-N 2.78Å; I107-R110 VanDerWaalsContact O-N 3.09Å; G108-R110 VanDerWaalsContact C-N 3.29Å; G108-R110 PolarHBondContact O-N 2.84Å; R110-F138 HydrophobicContact CB-CD1 4.46Å; R110-S139 WeakPolarHBondContact CD-O 3.31Å
111	K	93.4	Very high	95.3	Very high	15 Å²	15	23.6 Å²	23.6	7%	0.065	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.1	175.1	-175.7	179.5	179.7	-174.1	0	109	Y100 P104 L106 F138 S139 F143 H154 T156	Y100-K111 PolarHBondContact OH-NZ 2.85Å; P104-K111 HydrophobicContact CB-CG 4.27Å; P104-K111 HydrophobicContact CG-CD 4.37Å; P104-K111 HydrophobicContact CG-CG 4.22Å; L106-K111 HydrophobicContact CD2-CB 4.26Å; K111-F138 CarbonylContact O-C 3.57Å; K111-F138 WeakPolarHBondContact O-CA 3.25Å; K111-S139 PolarHBondContact N-OG 2.88Å; K111-S139 PolarHBondContact O-N 2.99Å; K111-S139 PolarHBondContact O-OG 3.12Å; K111-F143 HydrophobicContact CB-CB 4.48Å; K111-F143 HydrophobicContact CB-CD2 3.95Å; K111-F143 HydrophobicContact CD-CD2 4.04Å; K111-F143 HydrophobicContact CD-CE2 4.04Å; K111-F143 HydrophobicContact CG-CD2 4.43Å; K111-H154 PolarHBondContact NZ-O 2.95Å; K111-T156 HydrophobicContact CG-CG2 4.39Å
112	F	94.8	Very high	95.5	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161	171.1	66.6	-82.8	0	0	0	111.1	Y105 I107 L114 A136 R137 F138 F180 L230 I231	Y105-F112 AromaticContact CD1-CE1 3.71Å; Y105-F112 HydrophobicContact CD1-CE1 3.71Å; Y105-F112 AromaticContact CD1-CZ 3.78Å; Y105-F112 HydrophobicContact CD1-CZ 3.78Å; Y105-F112 WeakPolarHBondContact O-CE1 3.39Å; I107-F112 HydrophobicContact CD1-CD1 4.35Å; I107-F112 HydrophobicContact CD1-CE1 3.98Å; I107-F112 HydrophobicContact CD1-CZ 4.41Å; I107-F112 HydrophobicContact CG1-CD1 4.28Å; I107-F112 HydrophobicContact CG1-CE1 3.89Å; F112-L114 HydrophobicContact CD2-CD2 3.98Å; F112-L114 HydrophobicContact CE2-CD2 3.9Å; F112-L114 HydrophobicContact CE2-CG 4.39Å; F112-A136 HydrophobicContact CD2-CB 4.04Å; F112-R137 CarbonylContact C-O 3.58Å; F112-R137 WeakPolarHBondContact CA-O 3.46Å; F112-R137 WeakPolarHBondContact CB-O 3.38Å; F112-F138 HydrophobicContact CB-CD1 3.61Å; F112-F138 HydrophobicContact CB-CE1 3.68Å; F112-F138 HydrophobicContact CB-CG 4.09Å; F112-F138 HydrophobicContact CB-CZ 4.28Å; F112-F138 HydrophobicContact CD1-CD1 4.32Å; F112-F138 AromaticContact CD1-CE1 3.79Å; F112-F138 HydrophobicContact CD1-CE1 3.79Å; F112-F138 HydrophobicContact CG-CD1 4.26Å; F112-F138 AromaticContact CG-CE1 3.85Å; F112-F138 HydrophobicContact CG-CE1 3.85Å; F112-F138 HydrophobicContact CG-CZ 4.36Å; F112-F180 HydrophobicContact CD2-CE2 4.12Å; F112-F180 HydrophobicContact CE1-CE2 4.21Å; F112-F180 HydrophobicContact CE2-CD2 4.24Å; F112-F180 AromaticContact CE2-CE2 3.28Å; F112-F180 HydrophobicContact CE2-CE2 3.28Å; F112-F180 AromaticContact CE2-CZ 3.5Å; F112-F180 HydrophobicContact CE2-CZ 3.5Å; F112-F180 VanDerWaalsContact CE2-CZ 3.5Å; F112-F180 AromaticContact CZ-CE2 3.36Å; F112-F180 HydrophobicContact CZ-CE2 3.36Å; F112-F180 AromaticContact CZ-CZ 3.67Å; F112-F180 HydrophobicContact CZ-CZ 3.67Å; F112-L230 WeakPolarHBondContact O-CD1 3.39Å; F112-I231 HydrophobicContact CE2-CD1 4.36Å
113	D	96.2	Very high	95.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.011	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	161.2	163	77.4	85	0	0	0	109.5	A136 R137 T156 I229 L240	D113-A136 CarbonylContact O-C 3.49Å; D113-A136 VanDerWaalsContact O-CA 3.28Å; D113-A136 WeakPolarHBondContact O-CA 3.36Å; D113-R137 VanDerWaalsContact CG-NH2 3.27Å; D113-R137 PolarHBondContact N-O 2.87Å; D113-R137 VanDerWaalsContact N-O 3.11Å; D113-R137 PolarHBondContact O-N 3.02Å; D113-R137 IonicContact OD1-CZ 3.42Å; D113-R137 IonicContact OD1-NE 3.35Å; D113-R137 PolarHBondContact OD1-NE 2.92Å; D113-R137 IonicContact OD1-NH2 3.07Å; D113-R137 PolarHBondContact OD1-NH2 2.89Å; D113-R137 IonicContact OD2-CZ 3.19Å; D113-R137 IonicContact OD2-NE 3.04Å; D113-R137 PolarHBondContact OD2-NE 2.96Å; D113-R137 IonicContact OD2-NH2 2.97Å; D113-R137 PolarHBondContact OD2-NH2 2.82Å; D113-T156 WeakPolarHBondContact OD2-CB 3.49Å; D113-T156 PolarHBondContact OD2-OG1 3.45Å; D113-I229 CarbonylContact C-O 3.57Å; D113-I229 WeakPolarHBondContact CA-O 3.18Å; D113-L240 HydrophobicContact CB-CD1 4.33Å
114	L	97.5	Very high	95.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129	174.2	-51.9	-179.6	0	0	0	110.1	F112 V116 A136 L177 F180 I200 D228 I229 I231	F112-L114 HydrophobicContact CD2-CD2 3.98Å; F112-L114 HydrophobicContact CE2-CD2 3.9Å; F112-L114 HydrophobicContact CE2-CG 4.39Å; L114-V116 HydrophobicContact CB-CG2 4.38Å; L114-A136 HydrophobicContact CD2-CB 3.63Å; L114-L177 HydrophobicContact CD1-CD1 4.15Å; L114-L177 HydrophobicContact CD2-CD1 4Å; L114-F180 HydrophobicContact CD1-CD1 4.44Å; L114-F180 HydrophobicContact CD1-CE1 3.88Å; L114-F180 HydrophobicContact CD1-CZ 4.43Å; L114-F180 HydrophobicContact CD2-CD1 3.95Å; L114-F180 HydrophobicContact CD2-CD2 4.4Å; L114-F180 HydrophobicContact CD2-CE1 3.84Å; L114-F180 HydrophobicContact CD2-CE2 4.31Å; L114-F180 HydrophobicContact CD2-CG 4.22Å; L114-F180 HydrophobicContact CD2-CZ 4.03Å; L114-F180 HydrophobicContact CG-CE1 4.45Å; L114-I200 HydrophobicContact CD1-CD1 4.12Å; L114-D228 WeakPolarHBondContact O-CA 3.18Å; L114-I229 HydrophobicContact CB-CB 4.27Å; L114-I229 PolarHBondContact N-O 2.79Å; L114-I229 PolarHBondContact O-N 3.25Å; L114-I231 HydrophobicContact CD1-CD1 3.76Å; L114-I231 HydrophobicContact CG-CD1 4.42Å
115	R	97.3	Very high	95.3	Very high	14 Å²	14	25 Å²	25	5%	0.053	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.1	162.3	173.9	56.4	55.1	70.1	-1.1	109.4	Y117 G134 F135 Y227 D228	R115-Y117 HydrophobicContact CG-CE1 4.4Å; R115-Y117 HydrophobicContact CG-CE2 4.03Å; R115-G134 WeakPolarHBondContact O-CA 3.32Å; R115-F135 HydrophobicContact CB-CD1 4.34Å; R115-F135 HydrophobicContact CB-CD2 4.05Å; R115-F135 HydrophobicContact CB-CE1 4Å; R115-F135 HydrophobicContact CB-CE2 3.67Å; R115-F135 HydrophobicContact CB-CG 4.38Å; R115-F135 HydrophobicContact CB-CZ 3.65Å; R115-F135 HydrophobicContact CG-CD1 4.44Å; R115-F135 HydrophobicContact CG-CE1 3.75Å; R115-F135 HydrophobicContact CG-CE2 4.14Å; R115-F135 HydrophobicContact CG-CZ 3.57Å; R115-F135 PolarHBondContact N-O 3.28Å; R115-F135 PolarHBondContact O-N 3.38Å; R115-F135 VanDerWaalsContact O-N 3.08Å; R115-Y227 WeakPolarHBondContact CA-O 3.32Å; R115-D228 IonicContact CZ-OD1 3.15Å; R115-D228 IonicContact NE-OD1 3.07Å; R115-D228 PolarHBondContact NE-OD1 2.82Å; R115-D228 VanDerWaalsContact NH2-CG 3.35Å; R115-D228 IonicContact NH2-OD1 2.62Å; R115-D228 PolarHBondContact NH2-OD1 3.28Å; R115-D228 IonicContact NH2-OD2 3.39Å; R115-D228 PolarHBondContact NH2-OD2 2.9Å; R115-D228 VanDerWaalsContact NH2-OD2 3.14Å
116	V	98.1	Very high	95.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.6	176.1	-178.6	0	0	0	0	109.8	L114 L130 L177 F204 G226 Y227 L316	L114-V116 HydrophobicContact CB-CG2 4.38Å; V116-L130 HydrophobicContact CG1-CD1 3.56Å; V116-L177 HydrophobicContact CG2-CD2 4.14Å; V116-F204 HydrophobicContact CB-CE1 4.48Å; V116-F204 HydrophobicContact CB-CZ 3.82Å; V116-F204 HydrophobicContact CG1-CE2 3.89Å; V116-F204 HydrophobicContact CG1-CZ 3.6Å; V116-F204 HydrophobicContact CG2-CZ 4.17Å; V116-G226 CarbonylContact O-C 3.58Å; V116-G226 WeakPolarHBondContact O-CA 3.38Å; V116-Y227 PolarHBondContact N-O 3.3Å; V116-Y227 PolarHBondContact O-N 3.07Å; V116-L316 HydrophobicContact CG1-CD1 3.59Å; V116-L316 HydrophobicContact CG1-CD2 4.26Å; V116-L316 HydrophobicContact CG2-CD1 4.3Å; V116-L316 HydrophobicContact CG2-CD2 4.34Å
117	Y	98.5	Very high	95.3	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.7	-176.4	-61.6	-83.6	0	0	0	111.6	R115 Y131 F135 Y225 P246 L258 L262	R115-Y117 HydrophobicContact CG-CE1 4.4Å; R115-Y117 HydrophobicContact CG-CE2 4.03Å; Y117-Y131 WeakPolarHBondContact O-CB 3.37Å; Y117-Y131 PolarHBondContact O-N 2.62Å; Y117-F135 HydrophobicContact CE2-CE1 4.18Å; Y117-F135 WeakPolarHBondContact OH-CE1 3.47Å; Y117-Y225 WeakPolarHBondContact CA-O 3.5Å; Y117-P246 HydrophobicContact CD1-CB 4.48Å; Y117-P246 HydrophobicContact CD1-CG 4.3Å; Y117-P246 HydrophobicContact CE1-CB 3.93Å; Y117-P246 HydrophobicContact CE1-CG 4.1Å; Y117-L258 HydrophobicContact CE2-CD2 4.44Å; Y117-L262 HydrophobicContact CD1-CD2 3.55Å; Y117-L262 HydrophobicContact CD2-CD1 4.48Å; Y117-L262 HydrophobicContact CD2-CD2 3.78Å; Y117-L262 HydrophobicContact CE1-CD2 3.67Å; Y117-L262 HydrophobicContact CE2-CD2 3.92Å; Y117-L262 HydrophobicContact CG-CD1 4.14Å; Y117-L262 HydrophobicContact CG-CD2 3.58Å
118	V	98.6	Very high	95.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.2	178.4	179.3	0	0	0	0	108.6	V120 W129 L130 F204 L208 Y225 Y227 M289	V118-V120 HydrophobicContact CG1-CG2 4.34Å; V118-W129 CarbonylContact C-O 3.47Å; V118-W129 WeakPolarHBondContact CA-O 3.26Å; V118-L130 HydrophobicContact CG2-CD1 3.86Å; V118-F204 HydrophobicContact CG2-CB 4.46Å; V118-F204 HydrophobicContact CG2-CD1 4.37Å; V118-F204 HydrophobicContact CG2-CD2 4.35Å; V118-F204 HydrophobicContact CG2-CG 4.16Å; V118-L208 HydrophobicContact CG1-CD1 4.13Å; V118-Y225 PolarHBondContact N-O 3.03Å; V118-Y225 PolarHBondContact O-N 3.29Å; V118-Y227 HydrophobicContact CB-CD2 4.02Å; V118-Y227 HydrophobicContact CB-CE2 3.84Å; V118-Y227 HydrophobicContact CG1-CE2 4.48Å; V118-Y227 HydrophobicContact CG2-CD2 3.71Å; V118-Y227 HydrophobicContact CG2-CE2 3.84Å; V118-M289 HydrophobicContact CG1-CE 3.76Å
119	L	98.4	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.5	175.9	171.9	64.9	0	0	0	109.2	M121 A128 W129 F222 L224 T266 V269 F286	L119-M121 HydrophobicContact CD1-SD 4.36Å; L119-M121 HydrophobicContact CD2-SD 4.12Å; L119-M121 HydrophobicContact CG-SD 4.18Å; L119-A128 CarbonylContact O-C 3.56Å; L119-A128 WeakPolarHBondContact O-CA 3.4Å; L119-W129 HydrophobicContact CB-CB 4.25Å; L119-W129 PolarHBondContact N-O 3.31Å; L119-W129 PolarHBondContact O-N 2.98Å; L119-F222 HydrophobicContact CD1-CB 4.27Å; L119-F222 HydrophobicContact CD1-CD2 3.73Å; L119-F222 HydrophobicContact CD1-CG 4.41Å; L119-L224 HydrophobicContact CB-CD1 4.02Å; L119-L224 HydrophobicContact CD1-CB 4.47Å; L119-T266 HydrophobicContact CD1-CG2 4.02Å; L119-T266 HydrophobicContact CD2-CG2 4.05Å; L119-V269 HydrophobicContact CD2-CB 3.81Å; L119-V269 HydrophobicContact CD2-CG1 3.65Å; L119-V269 HydrophobicContact CD2-CG2 4.33Å; L119-F286 HydrophobicContact CB-CD1 4.22Å; L119-F286 HydrophobicContact CB-CE1 3.53Å; L119-F286 HydrophobicContact CB-CZ 3.85Å; L119-F286 HydrophobicContact CD2-CE1 4.33Å; L119-F286 HydrophobicContact CD2-CE2 4.27Å; L119-F286 HydrophobicContact CD2-CZ 4.11Å
120	V	97.6	Very high	96.2	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.3	174.6	-178.4	0	0	0	0	108.7	V118 S122 Y123 L126 A128 L208 F222 E223 Y225	V118-V120 HydrophobicContact CG1-CG2 4.34Å; V120-S122 WeakPolarHBondContact CG1-O 3.44Å; V120-Y123 HydrophobicContact CB-CE2 4.35Å; V120-Y123 HydrophobicContact CG1-CD2 3.9Å; V120-Y123 HydrophobicContact CG1-CE1 4.34Å; V120-Y123 HydrophobicContact CG1-CE2 3.65Å; V120-Y123 HydrophobicContact CG1-CG 4.36Å; V120-L126 HydrophobicContact CG1-CD1 4.25Å; V120-A128 HydrophobicContact CG2-CB 4.21Å; V120-L208 HydrophobicContact CG2-CD1 4.01Å; V120-L208 HydrophobicContact CG2-CD2 3.71Å; V120-F222 VanDerWaalsContact O-CA 3.3Å; V120-F222 WeakPolarHBondContact O-CA 3.19Å; V120-E223 PolarHBondContact N-O 2.84Å; V120-E223 PolarHBondContact O-N 2.83Å; V120-Y225 HydrophobicContact CB-CD2 4.42Å; V120-Y225 HydrophobicContact CB-CE2 3.97Å; V120-Y225 HydrophobicContact CG2-CD2 3.8Å; V120-Y225 HydrophobicContact CG2-CE2 3.66Å
121	M	96	Very high	96.5	Very high	35 Å²	35	17.3 Å²	17.3	17%	0.172	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-23.9	-180	-68.4	-61.2	-63.9	0	0	112.5	L119 R127 F222 V269 V270	L119-M121 HydrophobicContact CD1-SD 4.36Å; L119-M121 HydrophobicContact CD2-SD 4.12Å; L119-M121 HydrophobicContact CG-SD 4.18Å; M121-R127 HydrophobicContact CB-CB 4.32Å; M121-R127 HydrophobicContact CB-CG 4.35Å; M121-R127 PolarHBondContact N-O 3.19Å; M121-F222 HydrophobicContact SD-CB 3.87Å; M121-V269 HydrophobicContact CG-CG1 4.18Å; M121-V269 HydrophobicContact SD-CG1 4.01Å; M121-V270 HydrophobicContact CE-CB 4.49Å; M121-V270 HydrophobicContact CE-CG2 4.19Å; M121-V270 HydrophobicContact SD-CG2 4.13Å
122	S	95.1	Very high	96.6	Very high	22 Å²	22	17 Å²	17	15%	0.154	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	150.4	176.1	-176.9	0	0	0	0	109.2	V120 I124 P125 L126 R127 S217	V120-S122 WeakPolarHBondContact CG1-O 3.44Å; S122-I124 VanDerWaalsContact OG-C 3.31Å; S122-I124 PolarHBondContact OG-N 2.67Å; S122-I124 VanDerWaalsContact OG-N 3.11Å; S122-I124 PolarHBondContact OG-O 3.5Å; S122-I124 VanDerWaalsContact OG-O 3.07Å; S122-P125 CarbonylContact C-O 3.49Å; S122-P125 VanDerWaalsContact CB-O 3.26Å; S122-P125 WeakPolarHBondContact CB-O 3.42Å; S122-P125 PolarHBondContact OG-O 2.95Å; S122-L126 CarbonylContact O-C 3.53Å; S122-L126 WeakPolarHBondContact O-CA 3.43Å; S122-R127 PolarHBondContact O-N 3.41Å; S122-S217 PolarHBondContact OG-OG 3.21Å; S122-S217 VanDerWaalsContact OG-OG 3.07Å
123	Y	95	Very high	96.7	Very high	16 Å²	16	18.3 Å²	18.3	6%	0.063	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-16.9	166.9	-76	-87	0	0	0	112.1	V120 P125 L126 L208 V211 Q212 I215 S217 Y225	V120-Y123 HydrophobicContact CB-CE2 4.35Å; V120-Y123 HydrophobicContact CG1-CD2 3.9Å; V120-Y123 HydrophobicContact CG1-CE1 4.34Å; V120-Y123 HydrophobicContact CG1-CE2 3.65Å; V120-Y123 HydrophobicContact CG1-CG 4.36Å; Y123-P125 VanDerWaalsContact C-C 3.42Å; Y123-P125 CarbonylContact C-O 3.46Å; Y123-P125 CarbonylContact O-C 3.48Å; Y123-L126 HydrophobicContact CD1-CD1 3.88Å; Y123-L126 HydrophobicContact CE1-CD1 4.28Å; Y123-L126 HydrophobicContact CG-CD1 4.49Å; Y123-L126 PolarHBondContact O-N 3.37Å; Y123-L208 HydrophobicContact CE1-CD2 3.98Å; Y123-V211 HydrophobicContact CE1-CG2 3.99Å; Y123-Q212 WeakPolarHBondContact O-CG 3.33Å; Y123-Q212 PolarHBondContact O-NE2 3.42Å; Y123-Q212 VanDerWaalsContact O-NE2 3.13Å; Y123-I215 HydrophobicContact CD1-CB 4.39Å; Y123-I215 HydrophobicContact CD1-CD1 4.48Å; Y123-I215 HydrophobicContact CD2-CB 4.15Å; Y123-I215 HydrophobicContact CD2-CG2 3.47Å; Y123-I215 VanDerWaalsContact CD2-CG2 3.47Å; Y123-I215 HydrophobicContact CE1-CD1 3.8Å; Y123-I215 HydrophobicContact CE2-CB 4.29Å; Y123-I215 HydrophobicContact CE2-CD1 3.99Å; Y123-I215 HydrophobicContact CE2-CG2 3.58Å; Y123-I215 HydrophobicContact CG-CB 4.18Å; Y123-I215 HydrophobicContact CG-CG2 4Å; Y123-S217 PolarHBondContact N-OG 3Å; Y123-Y225 VanDerWaalsContact OH-CE2 3.24Å; Y123-Y225 WeakPolarHBondContact OH-CE2 3.41Å; Y123-Y225 VanDerWaalsContact OH-CZ 3.28Å; Y123-Y225 PolarHBondContact OH-OH 2.89Å
124	I	92	Very high	96.6	Very high	116 Å²	116	18.2 Å²	18.2	60%	0.595	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.3	97.7	-178.8	-53.3	176.4	0	0	0	109.6	S122 S217	S122-I124 VanDerWaalsContact OG-C 3.31Å; S122-I124 PolarHBondContact OG-N 2.67Å; S122-I124 VanDerWaalsContact OG-N 3.11Å; S122-I124 PolarHBondContact OG-O 3.5Å; S122-I124 VanDerWaalsContact OG-O 3.07Å; I124-S217 PolarHBondContact N-OG 3.36Å
125	P	93.7	Very high	96.5	Very high	68 Å²	68	18.7 Å²	18.7	44%	0.442	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	cis	-67.1	157.2	-13.2	30.2	-34.9	0	0	0	112.1	S122 Y123 R127 D292	S122-P125 CarbonylContact C-O 3.49Å; S122-P125 VanDerWaalsContact CB-O 3.26Å; S122-P125 WeakPolarHBondContact CB-O 3.42Å; S122-P125 PolarHBondContact OG-O 2.95Å; Y123-P125 VanDerWaalsContact C-C 3.42Å; Y123-P125 CarbonylContact C-O 3.46Å; Y123-P125 CarbonylContact O-C 3.48Å; P125-R127 PolarHBondContact O-N 3.1Å; P125-D292 HydrophobicContact CB-CB 3.73Å; P125-D292 VanDerWaalsContact CB-CG 3.43Å; P125-D292 WeakPolarHBondContact CB-OD1 3.3Å
126	L	95.8	Very high	96.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.3	179.6	178.8	62.3	0	0	0	109.8	V120 S122 Y123 L208 Q209 Q212 W290 D292	V120-L126 HydrophobicContact CG1-CD1 4.25Å; S122-L126 CarbonylContact O-C 3.53Å; S122-L126 WeakPolarHBondContact O-CA 3.43Å; Y123-L126 HydrophobicContact CD1-CD1 3.88Å; Y123-L126 HydrophobicContact CE1-CD1 4.28Å; Y123-L126 HydrophobicContact CG-CD1 4.49Å; Y123-L126 PolarHBondContact O-N 3.37Å; L126-L208 HydrophobicContact CD1-CB 4.31Å; L126-L208 HydrophobicContact CD2-CB 4.06Å; L126-Q209 HydrophobicContact CD2-CG 4.24Å; L126-Q212 HydrophobicContact CB-CG 4.27Å; L126-W290 HydrophobicContact CD2-CG 4.24Å; L126-W290 HydrophobicContact CG-CG 4.4Å; L126-W290 VanDerWaalsContact O-CD1 3.28Å; L126-D292 PolarHBondContact O-N 2.99Å
127	R	96.4	Very high	96.2	Very high	65 Å²	65	18.6 Å²	18.6	25%	0.245	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.6	174.8	-170.9	177.3	-177	-168.1	4.3	109.7	M121 S122 P125 L288 W290	M121-R127 HydrophobicContact CB-CB 4.32Å; M121-R127 HydrophobicContact CB-CG 4.35Å; M121-R127 PolarHBondContact N-O 3.19Å; S122-R127 PolarHBondContact O-N 3.41Å; P125-R127 PolarHBondContact O-N 3.1Å; R127-L288 HydrophobicContact CG-CD1 4.08Å; R127-W290 WeakPolarHBondContact CA-O 3.28Å
128	A	97.9	Very high	95.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.1	-172.1	0	0	0	0	0	112.3	L119 V120 L208 M289 W290	L119-A128 CarbonylContact O-C 3.56Å; L119-A128 WeakPolarHBondContact O-CA 3.4Å; V120-A128 HydrophobicContact CG2-CB 4.21Å; A128-L208 HydrophobicContact CB-CD1 3.68Å; A128-M289 HydrophobicContact CB-CE 3.45Å; A128-M289 VanDerWaalsContact CB-CE 3.45Å; A128-M289 HydrophobicContact CB-CG 4.27Å; A128-M289 VanDerWaalsContact O-CG 3.26Å; A128-M289 WeakPolarHBondContact O-CG 3.24Å; A128-M289 PolarHBondContact O-N 3.44Å; A128-W290 HydrophobicContact CB-CB 4.44Å; A128-W290 PolarHBondContact N-O 3.4Å; A128-W290 PolarHBondContact O-N 2.96Å
129	W	98.4	Very high	95.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.6	-177	-60.1	80	0	0	0	109.7	V118 L119 V269 E280 V283 F286 D287 L288	V118-W129 CarbonylContact C-O 3.47Å; V118-W129 WeakPolarHBondContact CA-O 3.26Å; L119-W129 HydrophobicContact CB-CB 4.25Å; L119-W129 PolarHBondContact N-O 3.31Å; L119-W129 PolarHBondContact O-N 2.98Å; W129-V269 HydrophobicContact CD2-CG1 3.95Å; W129-V269 HydrophobicContact CD2-CG2 4.4Å; W129-V269 HydrophobicContact CE3-CG2 4.39Å; W129-V269 HydrophobicContact CG-CG1 4.13Å; W129-V269 HydrophobicContact CZ2-CG1 3.99Å; W129-E280 HydrophobicContact CH2-CB 4.4Å; W129-E280 WeakPolarHBondContact CH2-O 3.32Å; W129-V283 HydrophobicContact CH2-CG2 3.84Å; W129-V283 HydrophobicContact CZ3-CB 4.34Å; W129-V283 HydrophobicContact CZ3-CG2 3.94Å; W129-F286 HydrophobicContact CB-CB 4.17Å; W129-F286 HydrophobicContact CB-CD1 3.67Å; W129-F286 HydrophobicContact CB-CE1 4.44Å; W129-F286 HydrophobicContact CB-CG 4.19Å; W129-F286 HydrophobicContact CE3-CB 3.92Å; W129-D287 CarbonylContact C-O 3.55Å; W129-D287 WeakPolarHBondContact CA-O 3.18Å; W129-L288 HydrophobicContact CD2-CB 4.07Å; W129-L288 HydrophobicContact CD2-CD1 3.79Å; W129-L288 HydrophobicContact CE3-CB 3.68Å; W129-L288 HydrophobicContact CE3-CD1 4.3Å; W129-L288 VanDerWaalsContact CE3-N 3.32Å; W129-L288 HydrophobicContact CG-CD1 4.21Å; W129-L288 HydrophobicContact CH2-CB 3.98Å; W129-L288 HydrophobicContact CH2-CD1 4.35Å; W129-L288 HydrophobicContact CZ2-CB 4.35Å; W129-L288 HydrophobicContact CZ2-CD1 3.85Å; W129-L288 HydrophobicContact CZ2-CG 4.49Å; W129-L288 HydrophobicContact CZ3-CB 3.64Å
130	L	98.4	Very high	94.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.9	176.2	-179.5	61	0	0	0	109.2	V116 V118 D201 F204 F286 D287 M289 T314 L316	V116-L130 HydrophobicContact CG1-CD1 3.56Å; V118-L130 HydrophobicContact CG2-CD1 3.86Å; L130-D201 WeakPolarHBondContact CD2-OD1 3.15Å; L130-F204 HydrophobicContact CD1-CD2 3.79Å; L130-F204 HydrophobicContact CD1-CE2 3.58Å; L130-F204 HydrophobicContact CD1-CZ 4.47Å; L130-F204 HydrophobicContact CD2-CD2 4.36Å; L130-F204 HydrophobicContact CD2-CE2 4.29Å; L130-F286 WeakPolarHBondContact O-CA 3.24Å; L130-D287 PolarHBondContact N-O 2.95Å; L130-D287 PolarHBondContact O-N 3.24Å; L130-M289 HydrophobicContact CB-CB 4.42Å; L130-M289 HydrophobicContact CB-CG 4.5Å; L130-M289 HydrophobicContact CB-SD 4.17Å; L130-T314 HydrophobicContact CD2-CG2 3.65Å; L130-L316 HydrophobicContact CD1-CD1 4.22Å; L130-L316 HydrophobicContact CD2-CB 3.92Å; L130-L316 HydrophobicContact CD2-CD1 4.33Å; L130-L316 HydrophobicContact CD2-CD2 4.41Å; L130-L316 HydrophobicContact CD2-CG 4.44Å; L130-L316 HydrophobicContact CG-CD1 4.3Å
131	Y	98.1	Very high	93.5	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.4	170.8	-155.8	-114.8	0	0	0	109.5	Y117 D133 L258 C261 L262 D265 F286 L316	Y117-Y131 WeakPolarHBondContact O-CB 3.37Å; Y117-Y131 PolarHBondContact O-N 2.62Å; Y131-D133 HydrophobicContact CD1-CB 4.2Å; Y131-D133 WeakPolarHBondContact CD1-O 3.48Å; Y131-D133 HydrophobicContact CE1-CB 4.11Å; Y131-D133 PolarHBondContact O-N 3.12Å; Y131-L258 HydrophobicContact CD1-CD1 4.48Å; Y131-L258 HydrophobicContact CE1-CD1 3.97Å; Y131-C261 VanDerWaalsContact OH-C 3.31Å; Y131-C261 PolarHBondContact OH-O 3.46Å; Y131-L262 HydrophobicContact CD1-CB 4.44Å; Y131-L262 HydrophobicContact CD1-CD1 3.64Å; Y131-L262 HydrophobicContact CD2-CD1 3.56Å; Y131-L262 HydrophobicContact CE1-CB 4Å; Y131-L262 HydrophobicContact CE1-CD1 3.99Å; Y131-L262 HydrophobicContact CE2-CB 4.48Å; Y131-L262 HydrophobicContact CE2-CD1 3.92Å; Y131-L262 HydrophobicContact CG-CD1 3.41Å; Y131-L262 VanDerWaalsContact CG-CD1 3.41Å; Y131-L262 PolarHBondContact OH-N 3.27Å; Y131-D265 HydrophobicContact CE2-CB 3.86Å; Y131-D265 WeakPolarHBondContact CE2-OD2 3.3Å; Y131-D265 PolarHBondContact OH-OD2 3.12Å; Y131-F286 AromaticContact CD2-CD1 3.78Å; Y131-F286 HydrophobicContact CD2-CD1 3.78Å; Y131-F286 AromaticContact CD2-CD2 3.64Å; Y131-F286 HydrophobicContact CD2-CD2 3.64Å; Y131-F286 AromaticContact CD2-CE1 3.7Å; Y131-F286 HydrophobicContact CD2-CE1 3.7Å; Y131-F286 AromaticContact CD2-CE2 3.53Å; Y131-F286 HydrophobicContact CD2-CE2 3.53Å; Y131-F286 AromaticContact CD2-CG 3.75Å; Y131-F286 HydrophobicContact CD2-CG 3.75Å; Y131-F286 AromaticContact CD2-CZ 3.58Å; Y131-F286 HydrophobicContact CD2-CZ 3.58Å; Y131-F286 AromaticContact CE2-CD2 3.95Å; Y131-F286 HydrophobicContact CE2-CD2 3.95Å; Y131-F286 AromaticContact CE2-CE2 3.88Å; Y131-F286 HydrophobicContact CE2-CE2 3.88Å; Y131-F286 HydrophobicContact CE2-CG 4.42Å; Y131-F286 HydrophobicContact CE2-CZ 4.33Å; Y131-F286 HydrophobicContact CG-CD1 4.44Å; Y131-F286 HydrophobicContact CG-CE1 4.17Å; Y131-F286 HydrophobicContact CG-CZ 4.25Å; Y131-L316 WeakPolarHBondContact O-CD1 3.3Å
132	R	95.9	Very high	93	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.03	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-29.9	-175.1	-175.7	172	-65.4	-160.5	-3.5	113.5	R282 G285 D287 H315 G317 V319 D321	R132-R282 VanDerWaalsContact CZ-NH2 3.29Å; R132-G285 WeakPolarHBondContact CB-O 3.34Å; R132-G285 PolarHBondContact N-O 3.4Å; R132-D287 IonicContact CZ-OD1 3.27Å; R132-D287 IonicContact CZ-OD2 2.67Å; R132-D287 IonicContact NE-OD1 2.67Å; R132-D287 IonicContact NE-OD2 2.79Å; R132-D287 PolarHBondContact NE-OD2 2.89Å; R132-D287 IonicContact NH2-OD1 2.69Å; R132-D287 PolarHBondContact NH2-OD1 2.75Å; R132-D287 IonicContact NH2-OD2 3.14Å; R132-D287 PolarHBondContact NH2-OD2 3.15Å; R132-H315 HydrophobicContact CG-CB 4.25Å; R132-H315 VanDerWaalsContact CG-O 3.26Å; R132-H315 WeakPolarHBondContact CG-O 3.48Å; R132-H315 VanDerWaalsContact CZ-CB 3.45Å; R132-H315 PolarHBondContact NH2-CD2 3.18Å; R132-H315 PolarHBondContact NH2-ND1 3.44Å; R132-G317 PolarHBondContact O-N 2.92Å; R132-V319 WeakPolarHBondContact CD-O 3.4Å; R132-V319 PolarHBondContact NH1-O 3.32Å; R132-D321 IonicContact CZ-OD1 3.71Å; R132-D321 IonicContact NH1-OD1 3.79Å; R132-D321 PolarHBondContact NH1-OD1 3.46Å
133	D	95.4	Very high	92.6	Very high	29 Å²	29	30.2 Å²	30.2	16%	0.155	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	164.5	-175.9	-154.3	-0.3	0	0	0	111.6	Y131 L258	Y131-D133 HydrophobicContact CD1-CB 4.2Å; Y131-D133 WeakPolarHBondContact CD1-O 3.48Å; Y131-D133 HydrophobicContact CE1-CB 4.11Å; Y131-D133 PolarHBondContact O-N 3.12Å; D133-L258 HydrophobicContact CB-CD1 3.61Å
134	G	95.7	Very high	92.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	-163.1	-175.6	0	0	0	0	0	109	R115 L177	R115-G134 WeakPolarHBondContact O-CA 3.32Å; G134-L177 PolarHBondContact O-N 3.43Å
135	F	95.2	Very high	91.7	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.048	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	145.6	177.7	53.1	-88.2	0	0	0	113.3	R115 Y117 R137 K174 W175 L258	R115-F135 HydrophobicContact CB-CD1 4.34Å; R115-F135 HydrophobicContact CB-CD2 4.05Å; R115-F135 HydrophobicContact CB-CE1 4Å; R115-F135 HydrophobicContact CB-CE2 3.67Å; R115-F135 HydrophobicContact CB-CG 4.38Å; R115-F135 HydrophobicContact CB-CZ 3.65Å; R115-F135 HydrophobicContact CG-CD1 4.44Å; R115-F135 HydrophobicContact CG-CE1 3.75Å; R115-F135 HydrophobicContact CG-CE2 4.14Å; R115-F135 HydrophobicContact CG-CZ 3.57Å; R115-F135 PolarHBondContact N-O 3.28Å; R115-F135 PolarHBondContact O-N 3.38Å; R115-F135 VanDerWaalsContact O-N 3.08Å; Y117-F135 HydrophobicContact CE2-CE1 4.18Å; Y117-F135 WeakPolarHBondContact OH-CE1 3.47Å; F135-R137 HydrophobicContact CD2-CG 3.49Å; F135-R137 VanDerWaalsContact CD2-CG 3.49Å; F135-R137 HydrophobicContact CE2-CG 3.41Å; F135-R137 VanDerWaalsContact CE2-CG 3.41Å; F135-K174 HydrophobicContact CD2-CD 4.05Å; F135-K174 HydrophobicContact CD2-CG 4.29Å; F135-K174 HydrophobicContact CE2-CD 4.38Å; F135-K174 HydrophobicContact CG-CD 4.49Å; F135-W175 CarbonylContact C-O 3.48Å; F135-W175 WeakPolarHBondContact CA-O 3.35Å; F135-W175 VanDerWaalsContact CB-O 3.3Å; F135-W175 WeakPolarHBondContact CB-O 3.27Å; F135-L258 HydrophobicContact CD1-CD2 3.54Å; F135-L258 HydrophobicContact CE1-CD2 4.05Å
136	A	95.4	Very high	91.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.8	164.9	0	0	0	0	0	109.2	F112 D113 L114 F138 K174 W175 F180	F112-A136 HydrophobicContact CD2-CB 4.04Å; D113-A136 CarbonylContact O-C 3.49Å; D113-A136 VanDerWaalsContact O-CA 3.28Å; D113-A136 WeakPolarHBondContact O-CA 3.36Å; L114-A136 HydrophobicContact CD2-CB 3.63Å; A136-F138 HydrophobicContact CB-CE2 3.92Å; A136-F138 HydrophobicContact CB-CZ 4.11Å; A136-K174 VanDerWaalsContact O-CA 3.26Å; A136-K174 WeakPolarHBondContact O-CA 3.32Å; A136-W175 HydrophobicContact CB-CB 4.38Å; A136-W175 PolarHBondContact N-O 2.92Å; A136-W175 PolarHBondContact O-N 2.9Å; A136-F180 HydrophobicContact CB-CD2 4.21Å; A136-F180 HydrophobicContact CB-CG 4.46Å
137	R	92.3	Very high	90.1	Very high	14 Å²	14	34.9 Å²	34.9	5%	0.053	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.5	175.3	-64.9	-178.8	-79	-179.4	-3.4	109.7	F112 D113 F135 N157 D228	F112-R137 CarbonylContact C-O 3.58Å; F112-R137 WeakPolarHBondContact CA-O 3.46Å; F112-R137 WeakPolarHBondContact CB-O 3.38Å; D113-R137 VanDerWaalsContact CG-NH2 3.27Å; D113-R137 PolarHBondContact N-O 2.87Å; D113-R137 VanDerWaalsContact N-O 3.11Å; D113-R137 PolarHBondContact O-N 3.02Å; D113-R137 IonicContact OD1-CZ 3.42Å; D113-R137 IonicContact OD1-NE 3.35Å; D113-R137 PolarHBondContact OD1-NE 2.92Å; D113-R137 IonicContact OD1-NH2 3.07Å; D113-R137 PolarHBondContact OD1-NH2 2.89Å; D113-R137 IonicContact OD2-CZ 3.19Å; D113-R137 IonicContact OD2-NE 3.04Å; D113-R137 PolarHBondContact OD2-NE 2.96Å; D113-R137 IonicContact OD2-NH2 2.97Å; D113-R137 PolarHBondContact OD2-NH2 2.82Å; F135-R137 HydrophobicContact CD2-CG 3.49Å; F135-R137 VanDerWaalsContact CD2-CG 3.49Å; F135-R137 HydrophobicContact CE2-CG 3.41Å; F135-R137 VanDerWaalsContact CE2-CG 3.41Å; R137-N157 PolarHBondContact NH1-OD1 3.31Å; R137-D228 IonicContact CZ-OD2 3.57Å; R137-D228 IonicContact NH2-OD1 3.37Å; R137-D228 PolarHBondContact NH2-OD1 2.95Å; R137-D228 IonicContact NH2-OD2 3.28Å; R137-D228 PolarHBondContact NH2-OD2 2.89Å
138	F	90.3	Very high	89.1	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.3	-180	-65.9	-87.4	0	0	0	112	I107 R110 K111 F112 A136 C173 W175	I107-F138 HydrophobicContact CB-CE1 3.87Å; I107-F138 HydrophobicContact CD1-CE1 4.13Å; I107-F138 HydrophobicContact CD1-CZ 4.14Å; I107-F138 HydrophobicContact CG1-CE1 4.37Å; I107-F138 HydrophobicContact CG2-CE1 4.4Å; R110-F138 HydrophobicContact CB-CD1 4.46Å; K111-F138 CarbonylContact O-C 3.57Å; K111-F138 WeakPolarHBondContact O-CA 3.25Å; F112-F138 HydrophobicContact CB-CD1 3.61Å; F112-F138 HydrophobicContact CB-CE1 3.68Å; F112-F138 HydrophobicContact CB-CG 4.09Å; F112-F138 HydrophobicContact CB-CZ 4.28Å; F112-F138 HydrophobicContact CD1-CD1 4.32Å; F112-F138 AromaticContact CD1-CE1 3.79Å; F112-F138 HydrophobicContact CD1-CE1 3.79Å; F112-F138 HydrophobicContact CG-CD1 4.26Å; F112-F138 AromaticContact CG-CE1 3.85Å; F112-F138 HydrophobicContact CG-CE1 3.85Å; F112-F138 HydrophobicContact CG-CZ 4.36Å; A136-F138 HydrophobicContact CB-CE2 3.92Å; A136-F138 HydrophobicContact CB-CZ 4.11Å; F138-C173 HydrophobicContact CB-CB 4.38Å; F138-C173 PolarHBondContact N-O 2.88Å; F138-W175 HydrophobicContact CE2-CB 3.85Å; F138-W175 AromaticContact CE2-CD1 3.77Å; F138-W175 AromaticContact CE2-CD2 3.82Å; F138-W175 HydrophobicContact CE2-CD2 3.82Å; F138-W175 HydrophobicContact CE2-CE3 4.41Å; F138-W175 AromaticContact CE2-CG 3.52Å; F138-W175 HydrophobicContact CE2-CG 3.52Å; F138-W175 HydrophobicContact CZ-CB 4.46Å; F138-W175 AromaticContact CZ-CD2 3.8Å; F138-W175 HydrophobicContact CZ-CD2 3.8Å; F138-W175 AromaticContact CZ-CE3 3.98Å; F138-W175 HydrophobicContact CZ-CE3 3.98Å; F138-W175 HydrophobicContact CZ-CG 4.01Å
139	S	87	Confident	87.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	148.9	159.7	62	0	0	0	0	110.1	R110 K111 T141	R110-S139 WeakPolarHBondContact CD-O 3.31Å; K111-S139 PolarHBondContact N-OG 2.88Å; K111-S139 PolarHBondContact O-N 2.99Å; K111-S139 PolarHBondContact O-OG 3.12Å; S139-T141 VanDerWaalsContact C-N 3.35Å; S139-T141 PolarHBondContact OG-O 3.29Å
140	N	78.9	Confident	86.6	Confident	30 Å²	30	41 Å²	41	16%	0.16	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-37.6	172.4	-73.2	-18.8	0	0	0	111.2	Q161 C173	N140-Q161 PolarHBondContact ND2-O 3.03Å; N140-Q161 PolarHBondContact ND2-OE1 3.04Å; N140-C173 PolarHBondContact OD1-SG 3.33Å
141	T	81.3	Confident	85.3	Confident	52 Å²	52	44.4 Å²	44.4	32%	0.319	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	154.5	-174.1	-46.4	0	0	0	0	111.5	S139 V153	S139-T141 VanDerWaalsContact C-N 3.35Å; S139-T141 PolarHBondContact OG-O 3.29Å; T141-V153 HydrophobicContact CG2-CG2 3.89Å
142	R	85.8	Confident	84	Confident	184 Å²	184	47.5 Å²	47.5	69%	0.694	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	142.6	170.8	-71.7	-173.1	176.4	-163.5	0.8	110.5	G109	G109-R142 CarbonylContact O-C 3.5Å; G109-R142 VanDerWaalsContact O-CA 3.26Å; G109-R142 WeakPolarHBondContact O-CA 3.45Å
143	F	86.8	Confident	82.7	Confident	34 Å²	34	47.2 Å²	47.2	15%	0.149	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-68.9	133.7	178.4	-175	-100.4	0	0	0	111	Y100 E102 P104 L106 G109 K111 L145 V153 H154	Y100-F143 HydrophobicContact CE1-CZ 4.45Å; Y100-F143 WeakPolarHBondContact OH-CE2 3.21Å; E102-F143 WeakPolarHBondContact O-CE1 3.25Å; E102-F143 WeakPolarHBondContact O-CZ 3.37Å; P104-F143 VanDerWaalsContact CD-CZ 3.47Å; P104-F143 HydrophobicContact CG-CD1 4.24Å; P104-F143 HydrophobicContact CG-CD2 4.06Å; P104-F143 HydrophobicContact CG-CE1 3.9Å; P104-F143 HydrophobicContact CG-CE2 3.68Å; P104-F143 HydrophobicContact CG-CG 4.3Å; P104-F143 HydrophobicContact CG-CZ 3.6Å; L106-F143 HydrophobicContact CD1-CB 3.91Å; L106-F143 HydrophobicContact CD1-CD1 4.05Å; L106-F143 HydrophobicContact CD1-CG 4.33Å; L106-F143 HydrophobicContact CD2-CB 3.55Å; L106-F143 HydrophobicContact CD2-CD1 4.17Å; L106-F143 HydrophobicContact CD2-CG 3.84Å; L106-F143 HydrophobicContact CG-CB 4.41Å; G109-F143 PolarHBondContact O-N 3.07Å; K111-F143 HydrophobicContact CB-CB 4.48Å; K111-F143 HydrophobicContact CB-CD2 3.95Å; K111-F143 HydrophobicContact CD-CD2 4.04Å; K111-F143 HydrophobicContact CD-CE2 4.04Å; K111-F143 HydrophobicContact CG-CD2 4.43Å; F143-L145 HydrophobicContact CE1-CD2 4.26Å; F143-L145 HydrophobicContact CE1-CG 4.1Å; F143-L145 HydrophobicContact CZ-CD2 3.79Å; F143-L145 HydrophobicContact CZ-CG 4.15Å; F143-V153 HydrophobicContact CD2-CG1 4.33Å; F143-H154 AromaticContact CE2-CE1 3.87Å; F143-H154 AromaticContact CE2-ND1 3.55Å
144	T	83.4	Confident	81.7	Confident	46 Å²	46	46 Å²	46	28%	0.282	23%	0.229	S	C	.	.			trans	-152.8	145	172.5	178.2	0	0	0	0	109	N146 V153 H154	T144-N146 WeakPolarHBondContact OG1-CB 3.4Å; T144-N146 PolarHBondContact OG1-N 3.14Å; T144-N146 VanDerWaalsContact OG1-N 3.15Å; T144-V153 HydrophobicContact CG2-CG1 4.18Å; T144-V153 HydrophobicContact CG2-CG2 4.49Å; T144-H154 PolarHBondContact O-CE1 2.89Å; T144-H154 PolarHBondContact O-NE2 2.85Å
145	L	82.9	Confident	80.8	Confident	54 Å²	54	46.2 Å²	46.2	28%	0.283	23%	0.231	S	C	.	.	S	Bend	trans	-92.5	-0.3	172.6	-67.9	173.3	0	0	0	112.7	Y100 E102 F143 S147	Y100-L145 HydrophobicContact CE1-CD2 4.09Å; E102-L145 HydrophobicContact CB-CD1 4.08Å; F143-L145 HydrophobicContact CE1-CD2 4.26Å; F143-L145 HydrophobicContact CE1-CG 4.1Å; F143-L145 HydrophobicContact CZ-CD2 3.79Å; F143-L145 HydrophobicContact CZ-CG 4.15Å; L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 2.83Å
146	N	81.4	Confident	79.7	Confident	143 Å²	143	46.3 Å²	46.3	77%	0.765	23%	0.232	S	C	*	.	S	Bend	trans	-68.1	-27.3	-178.2	-63.1	-9.8	0	0	0	112.3	T144	T144-N146 WeakPolarHBondContact OG1-CB 3.4Å; T144-N146 PolarHBondContact OG1-N 3.14Å; T144-N146 VanDerWaalsContact OG1-N 3.15Å
147	S	75.4	Confident	78.8	Confident	55 Å²	55	48.3 Å²	48.3	39%	0.385	24%	0.243	S	C	.	.			trans	-132.8	75.5	-176.4	-56.7	0	0	0	0	110	L145 D149 D150 H154	L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 2.83Å; S147-D149 VanDerWaalsContact C-OD1 3.3Å; S147-D149 PolarHBondContact O-N 3.39Å; S147-D150 WeakPolarHBondContact O-CB 3.2Å; S147-D150 PolarHBondContact O-N 3.49Å; S147-D150 VanDerWaalsContact O-N 3.11Å; S147-H154 PolarHBondContact O-NE2 2.92Å
148	I	74.8	Confident	77.6	Confident	15 Å²	15	49.7 Å²	49.7	8%	0.077	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.5	-172.3	-160.5	162.7	0	0	0	114.5	I17 K19 P39 D150 H154	I17-I148 HydrophobicContact CB-CG1 4.3Å; I17-I148 HydrophobicContact CG2-CD1 3.66Å; I17-I148 HydrophobicContact CG2-CG1 3.47Å; I17-I148 VanDerWaalsContact CG2-CG1 3.47Å; K19-I148 HydrophobicContact CD-CG2 4.04Å; K19-I148 HydrophobicContact CG-CD1 4.27Å; K19-I148 HydrophobicContact CG-CG2 3.99Å; P39-I148 HydrophobicContact CB-CD1 3.16Å; P39-I148 HydrophobicContact CG-CD1 4.04Å; I148-D150 VanDerWaalsContact C-N 3.28Å; I148-H154 WeakPolarHBondContact CA-NE2 3.12Å; I148-H154 PolarHBondContact O-CD2 2.79Å
149	D	70.5	Confident	76.2	Confident	126 Å²	126	53.1 Å²	53.1	67%	0.674	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.2	175	55.8	-42.4	0	0	0	112.6	S147 Q151	S147-D149 VanDerWaalsContact C-OD1 3.3Å; S147-D149 PolarHBondContact O-N 3.39Å; D149-Q151 PolarHBondContact O-N 3.03Å
150	D	73.3	Confident	75.1	Confident	54 Å²	54	54.5 Å²	54.5	29%	0.289	29%	0.29	S	S	.	.			trans	-73.8	97.6	175.1	-170.5	-15.1	0	0	0	111.2	S147 I148 Y152 V153 H154	S147-D150 WeakPolarHBondContact O-CB 3.2Å; S147-D150 PolarHBondContact O-N 3.49Å; S147-D150 VanDerWaalsContact O-N 3.11Å; I148-D150 VanDerWaalsContact C-N 3.28Å; D150-Y152 PolarHBondContact O-N 2.92Å; D150-Y152 WeakPolarHBondContact OD1-CB 3.22Å; D150-Y152 WeakPolarHBondContact OD1-CD2 3.26Å; D150-Y152 PolarHBondContact OD1-N 2.96Å; D150-V153 HydrophobicContact CB-CB 4.37Å; D150-V153 HydrophobicContact CB-CG2 3.99Å; D150-V153 PolarHBondContact O-N 3.28Å; D150-V153 WeakPolarHBondContact OD2-CG2 3.49Å; D150-H154 PolarHBondContact O-CD2 2.86Å; D150-H154 PolarHBondContact O-N 2.94Å
151	Q	72.6	Confident	74.7	Confident	72 Å²	72	53.4 Å²	53.4	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-26.7	178.7	-65.7	-179.5	10.6	0	0	113.1	D149 V153 H154 L155 V160	D149-Q151 PolarHBondContact O-N 3.03Å; Q151-V153 VanDerWaalsContact C-N 3.32Å; Q151-V153 PolarHBondContact O-N 3.19Å; Q151-H154 PolarHBondContact O-N 3.5Å; Q151-L155 HydrophobicContact CB-CD1 3.99Å; Q151-L155 HydrophobicContact CB-CG 4.35Å; Q151-L155 HydrophobicContact CG-CD1 4.14Å; Q151-L155 VanDerWaalsContact O-CB 3.3Å; Q151-L155 WeakPolarHBondContact O-CB 3.45Å; Q151-L155 PolarHBondContact O-N 3.32Å; Q151-V160 HydrophobicContact CB-CG1 4.17Å
152	Y	70.1	Confident	73.8	Confident	67 Å²	67	56 Å²	56	26%	0.263	29%	0.291	S	S	.	.	H	α-helix	trans	-72.9	-27.4	-179.1	-58.4	-59.2	0	0	0	112.6	D150 V160 Q161 T163	D150-Y152 PolarHBondContact O-N 2.92Å; D150-Y152 WeakPolarHBondContact OD1-CB 3.22Å; D150-Y152 WeakPolarHBondContact OD1-CD2 3.26Å; D150-Y152 PolarHBondContact OD1-N 2.96Å; Y152-V160 HydrophobicContact CD1-CG1 4.09Å; Y152-V160 HydrophobicContact CE1-CG1 4.14Å; Y152-V160 WeakPolarHBondContact CE1-O 3.36Å; Y152-Q161 PolarHBondContact O-NE2 3.05Å; Y152-T163 WeakPolarHBondContact CE1-OG1 3.37Å; Y152-T163 PolarHBondContact OH-O 2.95Å; Y152-T163 PolarHBondContact OH-OG1 2.84Å
153	V	68.1	Low	72.9	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-74.8	-36.4	174.5	176.4	0	0	0	0	110.8	T141 F143 T144 D150 Q151	T141-V153 HydrophobicContact CG2-CG2 3.89Å; F143-V153 HydrophobicContact CD2-CG1 4.33Å; T144-V153 HydrophobicContact CG2-CG1 4.18Å; T144-V153 HydrophobicContact CG2-CG2 4.49Å; D150-V153 HydrophobicContact CB-CB 4.37Å; D150-V153 HydrophobicContact CB-CG2 3.99Å; D150-V153 PolarHBondContact O-N 3.28Å; D150-V153 WeakPolarHBondContact OD2-CG2 3.49Å; Q151-V153 VanDerWaalsContact C-N 3.32Å; Q151-V153 PolarHBondContact O-N 3.19Å
154	H	74.3	Confident	71.8	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-110.9	-22.5	-163	-63.2	-57.2	0	0	0	116.1	I17 Y100 K111 F143 T144 S147 I148 D150 Q151	I17-H154 HydrophobicContact CD1-CB 3.12Å; Y100-H154 AromaticContact CZ-ND1 3.88Å; Y100-H154 PolarHBondContact OH-ND1 2.84Å; K111-H154 PolarHBondContact NZ-O 2.95Å; F143-H154 AromaticContact CE2-CE1 3.87Å; F143-H154 AromaticContact CE2-ND1 3.55Å; T144-H154 PolarHBondContact O-CE1 2.89Å; T144-H154 PolarHBondContact O-NE2 2.85Å; S147-H154 PolarHBondContact O-NE2 2.92Å; I148-H154 WeakPolarHBondContact CA-NE2 3.12Å; I148-H154 PolarHBondContact O-CD2 2.79Å; D150-H154 PolarHBondContact O-CD2 2.86Å; D150-H154 PolarHBondContact O-N 2.94Å; Q151-H154 PolarHBondContact O-N 3.5Å
155	L	77.1	Confident	70.9	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	30%	0.303	C	S	.	.			trans	-106.1	121.1	177.4	-55.3	-177.1	0	0	0	110.3	Q15 I17 I41 Q151 N157 V160 Q161	Q15-L155 HydrophobicContact CB-CD1 3.84Å; Q15-L155 HydrophobicContact CB-CD2 3.95Å; Q15-L155 HydrophobicContact CG-CD2 4.24Å; Q15-L155 WeakPolarHBondContact O-CD1 3.29Å; I17-L155 HydrophobicContact CD1-CD2 4.24Å; I41-L155 HydrophobicContact CD1-CD2 4.08Å; Q151-L155 HydrophobicContact CB-CD1 3.99Å; Q151-L155 HydrophobicContact CB-CG 4.35Å; Q151-L155 HydrophobicContact CG-CD1 4.14Å; Q151-L155 VanDerWaalsContact O-CB 3.3Å; Q151-L155 WeakPolarHBondContact O-CB 3.45Å; Q151-L155 PolarHBondContact O-N 3.32Å; L155-N157 VanDerWaalsContact C-N 3.34Å; L155-V160 HydrophobicContact CB-CG1 4.35Å; L155-V160 HydrophobicContact CB-CG2 4.46Å; L155-V160 HydrophobicContact CD1-CG1 4.45Å; L155-V160 HydrophobicContact CD1-CG2 4.1Å; L155-Q161 PolarHBondContact O-NE2 3.42Å
156	T	72.2	Confident	70.1	Confident	14 Å²	14	56.5 Å²	56.5	9%	0.086	32%	0.318	C	S	.	.			trans	-89.8	-1.2	-177.3	46.4	0	0	0	0	113.2	K111 D113 V158	K111-T156 HydrophobicContact CG-CG2 4.39Å; D113-T156 WeakPolarHBondContact OD2-CB 3.49Å; D113-T156 PolarHBondContact OD2-OG1 3.45Å; T156-V158 PolarHBondContact O-N 2.97Å
157	N	76.5	Confident	69.2	Low	42 Å²	42	52.9 Å²	52.9	23%	0.225	29%	0.294	C	S	.	.			trans	-65.1	130.8	-177.2	-76.7	-15.9	0	0	0	111.9	R137 L155 A159 V160 Q161	R137-N157 PolarHBondContact NH1-OD1 3.31Å; L155-N157 VanDerWaalsContact C-N 3.34Å; N157-A159 PolarHBondContact O-N 3.3Å; N157-V160 HydrophobicContact CB-CG2 4.36Å; N157-V160 PolarHBondContact O-N 2.94Å; N157-Q161 WeakPolarHBondContact O-CG 3.38Å; N157-Q161 PolarHBondContact O-N 2.95Å
158	V	66.9	Low	68.6	Low	43 Å²	43	55 Å²	55	26%	0.261	30%	0.298	S	S	.	.	H	α-helix	trans	-56.9	-36.3	-178.4	175.5	0	0	0	0	112.3	T156 V160 Q161 K162	T156-V158 PolarHBondContact O-N 2.97Å; V158-V160 VanDerWaalsContact C-N 3.34Å; V158-V160 PolarHBondContact O-N 2.51Å; V158-Q161 PolarHBondContact O-N 3.4Å; V158-K162 HydrophobicContact CG1-CD 3.88Å; V158-K162 VanDerWaalsContact CG1-CE 3.49Å; V158-K162 HydrophobicContact CG1-CG 4.05Å; V158-K162 WeakPolarHBondContact O-CB 3.37Å; V158-K162 VanDerWaalsContact O-CG 3.28Å; V158-K162 WeakPolarHBondContact O-CG 3.31Å; V158-K162 PolarHBondContact O-N 2.96Å
159	A	61	Low	67.8	Low	76 Å²	76	59.1 Å²	59.1	63%	0.628	33%	0.326	S	S	*	.	H	α-helix	trans	-60.1	-43.3	177.8	0	0	0	0	0	112	N157	N157-A159 PolarHBondContact O-N 3.3Å
160	V	64.7	Low	67.1	Low	29 Å²	29	63 Å²	63	18%	0.176	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-51.7	175.2	-179.3	0	0	0	0	109.3	Q151 Y152 L155 N157 V158 K162 T163	Q151-V160 HydrophobicContact CB-CG1 4.17Å; Y152-V160 HydrophobicContact CD1-CG1 4.09Å; Y152-V160 HydrophobicContact CE1-CG1 4.14Å; Y152-V160 WeakPolarHBondContact CE1-O 3.36Å; L155-V160 HydrophobicContact CB-CG1 4.35Å; L155-V160 HydrophobicContact CB-CG2 4.46Å; L155-V160 HydrophobicContact CD1-CG1 4.45Å; L155-V160 HydrophobicContact CD1-CG2 4.1Å; N157-V160 HydrophobicContact CB-CG2 4.36Å; N157-V160 PolarHBondContact O-N 2.94Å; V158-V160 VanDerWaalsContact C-N 3.34Å; V158-V160 PolarHBondContact O-N 2.51Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 3.1Å; V160-K162 VanDerWaalsContact O-N 3.16Å; V160-T163 PolarHBondContact O-N 2.75Å; V160-T163 PolarHBondContact O-OG1 3.46Å
161	Q	69	Low	66.5	Low	7 Å²	7	66.7 Å²	66.7	3%	0.033	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-30	-173.7	-67.1	-63.8	-48.2	0	0	114	N140 Y152 L155 N157 V158 T163 S164 Y167	N140-Q161 PolarHBondContact ND2-O 3.03Å; N140-Q161 PolarHBondContact ND2-OE1 3.04Å; Y152-Q161 PolarHBondContact O-NE2 3.05Å; L155-Q161 PolarHBondContact O-NE2 3.42Å; N157-Q161 WeakPolarHBondContact O-CG 3.38Å; N157-Q161 PolarHBondContact O-N 2.95Å; V158-Q161 PolarHBondContact O-N 3.4Å; Q161-T163 VanDerWaalsContact C-N 3.26Å; Q161-T163 PolarHBondContact O-N 3.34Å; Q161-S164 VanDerWaalsContact O-CB 3.27Å; Q161-S164 WeakPolarHBondContact O-CB 3.32Å; Q161-S164 PolarHBondContact O-N 2.78Å; Q161-Y167 VanDerWaalsContact O-CD2 3.29Å; Q161-Y167 WeakPolarHBondContact O-CD2 3.44Å
162	K	63.8	Low	65.9	Low	107 Å²	107	65.4 Å²	65.4	47%	0.465	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.3	175.8	-82.3	177.8	174.6	-177.6	0	114.2	V158 V160 S164 Y167	V158-K162 HydrophobicContact CG1-CD 3.88Å; V158-K162 VanDerWaalsContact CG1-CE 3.49Å; V158-K162 HydrophobicContact CG1-CG 4.05Å; V158-K162 WeakPolarHBondContact O-CB 3.37Å; V158-K162 VanDerWaalsContact O-CG 3.28Å; V158-K162 WeakPolarHBondContact O-CG 3.31Å; V158-K162 PolarHBondContact O-N 2.96Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 3.1Å; V160-K162 VanDerWaalsContact O-N 3.16Å; K162-S164 VanDerWaalsContact C-N 3.3Å; K162-Y167 HydrophobicContact CG-CD2 4.4Å; K162-Y167 HydrophobicContact CG-CE1 4.05Å; K162-Y167 HydrophobicContact CG-CE2 3.88Å
163	T	65.8	Low	66.1	Low	91 Å²	91	63.5 Å²	63.5	56%	0.558	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-8	178.2	67.9	0	0	0	0	112.6	Y152 V160 Q161	Y152-T163 WeakPolarHBondContact CE1-OG1 3.37Å; Y152-T163 PolarHBondContact OH-O 2.95Å; Y152-T163 PolarHBondContact OH-OG1 2.84Å; V160-T163 PolarHBondContact O-N 2.75Å; V160-T163 PolarHBondContact O-OG1 3.46Å; Q161-T163 VanDerWaalsContact C-N 3.26Å; Q161-T163 PolarHBondContact O-N 3.34Å
164	S	63.7	Low	67.1	Low	10 Å²	10	65.7 Å²	65.7	7%	0.07	36%	0.361	C	S	.	.	S	Bend	trans	-65.1	135.3	178.8	-179.2	0	0	0	0	110.7	Q161 K162 D166 Y167	Q161-S164 VanDerWaalsContact O-CB 3.27Å; Q161-S164 WeakPolarHBondContact O-CB 3.32Å; Q161-S164 PolarHBondContact O-N 2.78Å; K162-S164 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.13Å; S164-D166 VanDerWaalsContact O-N 3.13Å; S164-Y167 VanDerWaalsContact O-CB 3.25Å; S164-Y167 WeakPolarHBondContact O-CB 3.3Å; S164-Y167 PolarHBondContact O-N 3.4Å
165	P	64.9	Low	68	Low	116 Å²	116	67.3 Å²	67.3	75%	0.753	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.8	177.7	-24.6	33.1	0	0	0	113.4
166	D	66.8	Low	68.8	Low	111 Å²	111	69.9 Å²	69.9	59%	0.594	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	6.8	-177.8	-66	-42.1	0	0	0	113.8	S164 H168	S164-D166 PolarHBondContact O-N 3.13Å; S164-D166 VanDerWaalsContact O-N 3.13Å; D166-H168 PolarHBondContact O-N 3.41Å; D166-H168 PolarHBondContact O-ND1 3.04Å
167	Y	62.7	Low	69.9	Low	67 Å²	67	69.2 Å²	69.2	26%	0.263	38%	0.379	S	S	.	.			trans	-60.4	113.3	-178.3	179.7	-98.6	0	0	0	110.8	Q161 K162 S164 P169	Q161-Y167 VanDerWaalsContact O-CD2 3.29Å; Q161-Y167 WeakPolarHBondContact O-CD2 3.44Å; K162-Y167 HydrophobicContact CG-CD2 4.4Å; K162-Y167 HydrophobicContact CG-CE1 4.05Å; K162-Y167 HydrophobicContact CG-CE2 3.88Å; S164-Y167 VanDerWaalsContact O-CB 3.25Å; S164-Y167 WeakPolarHBondContact O-CB 3.3Å; S164-Y167 PolarHBondContact O-N 3.4Å; Y167-P169 HydrophobicContact CE1-CB 3.97Å; Y167-P169 HydrophobicContact CE1-CG 4.41Å
168	H	61.2	Low	70.8	Confident	100 Å²	100	69.8 Å²	69.8	46%	0.463	38%	0.38	S	S	.	.			trans	-112.8	114.4	172.3	-79.6	68.4	0	0	0	108.8	D166 K170 K171	D166-H168 PolarHBondContact O-N 3.41Å; D166-H168 PolarHBondContact O-ND1 3.04Å; H168-K170 PolarHBondContact O-N 3.4Å; H168-K171 HydrophobicContact CB-CB 3.83Å; H168-K171 HydrophobicContact CB-CD 3.76Å; H168-K171 HydrophobicContact CB-CG 3.57Å; H168-K171 PolarHBondContact O-N 2.84Å
169	P	59.1	Low	72.2	Confident	101 Å²	101	74.2 Å²	74.2	66%	0.656	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.9	-179	20.6	-30	0	0	0	112.9	Y167	Y167-P169 HydrophobicContact CE1-CB 3.97Å; Y167-P169 HydrophobicContact CE1-CG 4.41Å
170	K	56	Low	73.9	Confident	206 Å²	206	70.6 Å²	70.6	90%	0.896	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-8.9	177.1	-62.6	-175	179.6	-179.1	0	114.7	H168 G172	H168-K170 PolarHBondContact O-N 3.4Å; K170-G172 PolarHBondContact O-N 3.44Å; K170-G172 VanDerWaalsContact O-N 3.16Å
171	K	60.1	Low	75.4	Confident	133 Å²	133	70.3 Å²	70.3	58%	0.578	36%	0.358	S	S	*	.	S	Bend	trans	-75.9	5.2	-175.8	-89.4	-172.6	-171.1	170.7	0	114.8	H168	H168-K171 HydrophobicContact CB-CB 3.83Å; H168-K171 HydrophobicContact CB-CD 3.76Å; H168-K171 HydrophobicContact CB-CG 3.57Å; H168-K171 PolarHBondContact O-N 2.84Å
172	G	60.2	Low	76.8	Confident	44 Å²	44	74.9 Å²	74.9	45%	0.454	38%	0.38	S	S	.	.			trans	58.9	61.6	166.3	0	0	0	0	0	113.4	K170 K174	K170-G172 PolarHBondContact O-N 3.44Å; K170-G172 VanDerWaalsContact O-N 3.16Å; G172-K174 PolarHBondContact O-N 3.14Å
173	C	75.1	Confident	78.4	Confident	27 Å²	27	73.3 Å²	73.3	18%	0.182	37%	0.371	C	S	.	.			trans	-84.5	18.6	176.2	-54.8	0	0	0	0	112.9	F138 N140	F138-C173 HydrophobicContact CB-CB 4.38Å; F138-C173 PolarHBondContact N-O 2.88Å; N140-C173 PolarHBondContact OD1-SG 3.33Å
174	K	88.3	Confident	79.9	Confident	48 Å²	48	69 Å²	69	21%	0.209	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.1	175.5	-70.7	-176.2	176.2	179.8	0	110	F135 A136 G172 S251 D255	F135-K174 HydrophobicContact CD2-CD 4.05Å; F135-K174 HydrophobicContact CD2-CG 4.29Å; F135-K174 HydrophobicContact CE2-CD 4.38Å; F135-K174 HydrophobicContact CG-CD 4.49Å; A136-K174 VanDerWaalsContact O-CA 3.26Å; A136-K174 WeakPolarHBondContact O-CA 3.32Å; G172-K174 PolarHBondContact O-N 3.14Å; K174-S251 PolarHBondContact NZ-OG 3.31Å; K174-D255 IonicContact NZ-OD1 3.22Å; K174-D255 PolarHBondContact NZ-OD1 2.83Å; K174-D255 IonicContact NZ-OD2 3.31Å; K174-D255 PolarHBondContact NZ-OD2 2.64Å
175	W	92.7	Very high	81.5	Confident	36 Å²	36	70 Å²	70	14%	0.136	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.6	163.6	-74.2	5	0	0	0	109	I107 F135 A136 F138 R179 Y183	I107-W175 HydrophobicContact CD1-CE3 4.35Å; I107-W175 HydrophobicContact CD1-CZ3 3.87Å; I107-W175 HydrophobicContact CG2-CH2 3.57Å; I107-W175 HydrophobicContact CG2-CZ2 4.19Å; I107-W175 HydrophobicContact CG2-CZ3 3.99Å; F135-W175 CarbonylContact C-O 3.48Å; F135-W175 WeakPolarHBondContact CA-O 3.35Å; F135-W175 VanDerWaalsContact CB-O 3.3Å; F135-W175 WeakPolarHBondContact CB-O 3.27Å; A136-W175 HydrophobicContact CB-CB 4.38Å; A136-W175 PolarHBondContact N-O 2.92Å; A136-W175 PolarHBondContact O-N 2.9Å; F138-W175 HydrophobicContact CE2-CB 3.85Å; F138-W175 AromaticContact CE2-CD1 3.77Å; F138-W175 AromaticContact CE2-CD2 3.82Å; F138-W175 HydrophobicContact CE2-CD2 3.82Å; F138-W175 HydrophobicContact CE2-CE3 4.41Å; F138-W175 AromaticContact CE2-CG 3.52Å; F138-W175 HydrophobicContact CE2-CG 3.52Å; F138-W175 HydrophobicContact CZ-CB 4.46Å; F138-W175 AromaticContact CZ-CD2 3.8Å; F138-W175 HydrophobicContact CZ-CD2 3.8Å; F138-W175 AromaticContact CZ-CE3 3.98Å; F138-W175 HydrophobicContact CZ-CE3 3.98Å; F138-W175 HydrophobicContact CZ-CG 4.01Å; W175-R179 HydrophobicContact CD2-CG 4.29Å; W175-R179 HydrophobicContact CE3-CG 4.29Å; W175-R179 HydrophobicContact CG-CG 4.48Å; W175-Y183 HydrophobicContact CH2-CD2 4.05Å; W175-Y183 HydrophobicContact CH2-CE2 4.49Å; W175-Y183 HydrophobicContact CH2-CG 4.11Å; W175-Y183 HydrophobicContact CZ3-CD1 4.04Å; W175-Y183 HydrophobicContact CZ3-CD2 4.12Å; W175-Y183 AromaticContact CZ3-CG 3.69Å; W175-Y183 HydrophobicContact CZ3-CG 3.69Å
176	T	93.9	Very high	83	Confident	59 Å²	59	69.8 Å²	69.8	36%	0.362	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	149.1	165.6	62.2	0	0	0	0	109.2	Q178 R179 F180	T176-Q178 PolarHBondContact O-N 3.24Å; T176-R179 PolarHBondContact O-N 3.41Å; T176-R179 VanDerWaalsContact O-N 3.11Å; T176-R179 WeakPolarHBondContact OG1-CB 3.35Å; T176-R179 PolarHBondContact OG1-N 2.91Å; T176-F180 PolarHBondContact O-N 2.88Å
177	L	96.1	Very high	84.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-29.4	-178.8	-165.6	61.2	0	0	0	111.6	L114 V116 G134 F180 R181 F197 L316	L114-L177 HydrophobicContact CD1-CD1 4.15Å; L114-L177 HydrophobicContact CD2-CD1 4Å; V116-L177 HydrophobicContact CG2-CD2 4.14Å; G134-L177 PolarHBondContact O-N 3.43Å; L177-F180 HydrophobicContact CD1-CB 4.49Å; L177-F180 HydrophobicContact CD1-CD1 3.9Å; L177-F180 WeakPolarHBondContact O-CB 3.39Å; L177-F180 PolarHBondContact O-N 3.2Å; L177-R181 WeakPolarHBondContact O-CB 3.17Å; L177-R181 PolarHBondContact O-N 3.4Å; L177-F197 HydrophobicContact CG-CE1 4.42Å; L177-L316 HydrophobicContact CD2-CD1 3.28Å; L177-L316 HydrophobicContact CD2-CD2 4.21Å; L177-L316 HydrophobicContact CD2-CG 3.5Å
178	Q	95.9	Very high	86.1	Confident	54 Å²	54	69.9 Å²	69.9	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-60.5	-49.7	171.3	-174.7	-175.7	-23.8	0	0	112.7	T176 F180 R181 Q182 G317	T176-Q178 PolarHBondContact O-N 3.24Å; Q178-F180 VanDerWaalsContact C-N 3.27Å; Q178-F180 PolarHBondContact O-N 3.49Å; Q178-R181 PolarHBondContact O-N 3.35Å; Q178-Q182 WeakPolarHBondContact O-CB 3.47Å; Q178-Q182 VanDerWaalsContact O-CG 3.31Å; Q178-Q182 WeakPolarHBondContact O-CG 3.34Å; Q178-Q182 PolarHBondContact O-N 3.38Å; Q178-G317 VanDerWaalsContact CA-O 3.27Å; Q178-G317 WeakPolarHBondContact CA-O 3.36Å
179	R	95.6	Very high	87.9	Confident	136 Å²	136	66.3 Å²	66.3	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-39.6	177.4	-177.9	178.4	-180	173.8	2.8	111.2	W175 T176 Y183	W175-R179 HydrophobicContact CD2-CG 4.29Å; W175-R179 HydrophobicContact CE3-CG 4.29Å; W175-R179 HydrophobicContact CG-CG 4.48Å; T176-R179 PolarHBondContact O-N 3.41Å; T176-R179 VanDerWaalsContact O-N 3.11Å; T176-R179 WeakPolarHBondContact OG1-CB 3.35Å; T176-R179 PolarHBondContact OG1-N 2.91Å; R179-Y183 WeakPolarHBondContact O-CB 3.43Å; R179-Y183 PolarHBondContact O-N 3.05Å
180	F	96.6	Very high	89.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-49.8	175.9	175.8	-101	0	0	0	112.2	I107 F112 L114 A136 T176 L177 Q178 Q182 Y183 L184 F197 I231	I107-F180 HydrophobicContact CD1-CD2 3.89Å; I107-F180 HydrophobicContact CD1-CE2 3.76Å; F112-F180 HydrophobicContact CD2-CE2 4.12Å; F112-F180 HydrophobicContact CE1-CE2 4.21Å; F112-F180 HydrophobicContact CE2-CD2 4.24Å; F112-F180 AromaticContact CE2-CE2 3.28Å; F112-F180 HydrophobicContact CE2-CE2 3.28Å; F112-F180 AromaticContact CE2-CZ 3.5Å; F112-F180 HydrophobicContact CE2-CZ 3.5Å; F112-F180 VanDerWaalsContact CE2-CZ 3.5Å; F112-F180 AromaticContact CZ-CE2 3.36Å; F112-F180 HydrophobicContact CZ-CE2 3.36Å; F112-F180 AromaticContact CZ-CZ 3.67Å; F112-F180 HydrophobicContact CZ-CZ 3.67Å; L114-F180 HydrophobicContact CD1-CD1 4.44Å; L114-F180 HydrophobicContact CD1-CE1 3.88Å; L114-F180 HydrophobicContact CD1-CZ 4.43Å; L114-F180 HydrophobicContact CD2-CD1 3.95Å; L114-F180 HydrophobicContact CD2-CD2 4.4Å; L114-F180 HydrophobicContact CD2-CE1 3.84Å; L114-F180 HydrophobicContact CD2-CE2 4.31Å; L114-F180 HydrophobicContact CD2-CG 4.22Å; L114-F180 HydrophobicContact CD2-CZ 4.03Å; L114-F180 HydrophobicContact CG-CE1 4.45Å; A136-F180 HydrophobicContact CB-CD2 4.21Å; A136-F180 HydrophobicContact CB-CG 4.46Å; T176-F180 PolarHBondContact O-N 2.88Å; L177-F180 HydrophobicContact CD1-CB 4.49Å; L177-F180 HydrophobicContact CD1-CD1 3.9Å; L177-F180 WeakPolarHBondContact O-CB 3.39Å; L177-F180 PolarHBondContact O-N 3.2Å; Q178-F180 VanDerWaalsContact C-N 3.27Å; Q178-F180 PolarHBondContact O-N 3.49Å; F180-Q182 PolarHBondContact O-N 3.07Å; F180-Y183 PolarHBondContact O-N 3.47Å; F180-L184 HydrophobicContact CD1-CD1 4.18Å; F180-L184 HydrophobicContact CE1-CD1 3.41Å; F180-L184 VanDerWaalsContact CE1-CD1 3.41Å; F180-L184 HydrophobicContact CE1-CG 4.18Å; F180-L184 HydrophobicContact CE2-CD1 4.16Å; F180-L184 HydrophobicContact CE2-CD2 4.44Å; F180-L184 HydrophobicContact CE2-CG 4.23Å; F180-L184 HydrophobicContact CZ-CD1 3.4Å; F180-L184 HydrophobicContact CZ-CD2 4.36Å; F180-L184 HydrophobicContact CZ-CG 3.96Å; F180-L184 PolarHBondContact O-N 3.06Å; F180-F197 HydrophobicContact CD1-CZ 4.26Å; F180-F197 HydrophobicContact CE1-CZ 4.43Å; F180-I231 HydrophobicContact CE1-CD1 3.83Å; F180-I231 HydrophobicContact CZ-CD1 3.54Å
181	R	97	Very high	91.5	Very high	23 Å²	23	63.4 Å²	63.4	9%	0.087	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-44.8	177.9	-172.1	173	177.7	151.7	-2.9	111.7	L177 Q178 Y183 L184 A185 V193 E194 F197 L316 G317 C318	L177-R181 WeakPolarHBondContact O-CB 3.17Å; L177-R181 PolarHBondContact O-N 3.4Å; Q178-R181 PolarHBondContact O-N 3.35Å; R181-Y183 PolarHBondContact O-N 3.15Å; R181-L184 PolarHBondContact O-N 2.96Å; R181-A185 WeakPolarHBondContact O-CB 3.34Å; R181-A185 PolarHBondContact O-N 3.17Å; R181-V193 HydrophobicContact CG-CG1 3.75Å; R181-E194 IonicContact CZ-OE1 3.32Å; R181-E194 IonicContact NE-OE1 3.44Å; R181-E194 IonicContact NH2-OE1 3.87Å; R181-E194 PolarHBondContact NH2-OE1 2.88Å; R181-E194 IonicContact NH2-OE2 3.8Å; R181-E194 PolarHBondContact NH2-OE2 2.69Å; R181-F197 HydrophobicContact CB-CE1 4.43Å; R181-F197 HydrophobicContact CB-CE2 4.04Å; R181-F197 HydrophobicContact CB-CZ 3.66Å; R181-F197 HydrophobicContact CG-CD2 4.36Å; R181-F197 HydrophobicContact CG-CE1 4.37Å; R181-F197 HydrophobicContact CG-CE2 3.71Å; R181-F197 HydrophobicContact CG-CZ 3.72Å; R181-L316 PolarHBondContact NH1-O 2.93Å; R181-G317 WeakPolarHBondContact CD-O 3.49Å; R181-C318 PolarHBondContact NH1-SG 2.86Å
182	Q	96.9	Very high	93.2	Very high	104 Å²	104	58.8 Å²	58.8	49%	0.486	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-45.8	176.5	-73.2	174.2	-21	0	0	111.8	Q178 F180 L184 A185 S186	Q178-Q182 WeakPolarHBondContact O-CB 3.47Å; Q178-Q182 VanDerWaalsContact O-CG 3.31Å; Q178-Q182 WeakPolarHBondContact O-CG 3.34Å; Q178-Q182 PolarHBondContact O-N 3.38Å; F180-Q182 PolarHBondContact O-N 3.07Å; Q182-L184 PolarHBondContact O-N 3.39Å; Q182-A185 PolarHBondContact O-N 2.86Å; Q182-S186 PolarHBondContact O-N 3.44Å; Q182-S186 PolarHBondContact O-OG 2.84Å; Q182-S186 VanDerWaalsContact O-OG 3.11Å
183	Y	97.3	Very high	94.9	Very high	73 Å²	73	56.8 Å²	56.8	29%	0.286	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-45.9	176.8	171.9	-95.5	0	0	0	112.1	Y105 I107 W175 R179 F180 R181 A185 S186 K187	Y105-Y183 HydrophobicContact CE1-CE1 4.5Å; I107-Y183 HydrophobicContact CB-CE1 4.49Å; I107-Y183 HydrophobicContact CD1-CD1 3.76Å; I107-Y183 HydrophobicContact CD1-CE1 3.73Å; I107-Y183 HydrophobicContact CG1-CD1 4.3Å; I107-Y183 HydrophobicContact CG1-CE1 3.74Å; I107-Y183 HydrophobicContact CG2-CE1 4.08Å; W175-Y183 HydrophobicContact CH2-CD2 4.05Å; W175-Y183 HydrophobicContact CH2-CE2 4.49Å; W175-Y183 HydrophobicContact CH2-CG 4.11Å; W175-Y183 HydrophobicContact CZ3-CD1 4.04Å; W175-Y183 HydrophobicContact CZ3-CD2 4.12Å; W175-Y183 AromaticContact CZ3-CG 3.69Å; W175-Y183 HydrophobicContact CZ3-CG 3.69Å; R179-Y183 WeakPolarHBondContact O-CB 3.43Å; R179-Y183 PolarHBondContact O-N 3.05Å; F180-Y183 PolarHBondContact O-N 3.47Å; R181-Y183 PolarHBondContact O-N 3.15Å; Y183-A185 VanDerWaalsContact C-N 3.34Å; Y183-S186 PolarHBondContact O-N 3.01Å; Y183-K187 HydrophobicContact CE1-CD 4.17Å; Y183-K187 WeakPolarHBondContact O-CB 3.38Å; Y183-K187 PolarHBondContact O-N 3.42Å; Y183-K187 VanDerWaalsContact O-N 3.13Å
184	L	97.6	Very high	95.9	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-41.1	177	-68.8	-175	0	0	0	111.7	Y105 F180 R181 Q182 S186 K187 H188 V193 L196	Y105-L184 HydrophobicContact CD1-CD2 4.28Å; Y105-L184 HydrophobicContact CE1-CD2 3.47Å; Y105-L184 VanDerWaalsContact CE1-CD2 3.47Å; F180-L184 HydrophobicContact CD1-CD1 4.18Å; F180-L184 HydrophobicContact CE1-CD1 3.41Å; F180-L184 VanDerWaalsContact CE1-CD1 3.41Å; F180-L184 HydrophobicContact CE1-CG 4.18Å; F180-L184 HydrophobicContact CE2-CD1 4.16Å; F180-L184 HydrophobicContact CE2-CD2 4.44Å; F180-L184 HydrophobicContact CE2-CG 4.23Å; F180-L184 HydrophobicContact CZ-CD1 3.4Å; F180-L184 HydrophobicContact CZ-CD2 4.36Å; F180-L184 HydrophobicContact CZ-CG 3.96Å; F180-L184 PolarHBondContact O-N 3.06Å; R181-L184 PolarHBondContact O-N 2.96Å; Q182-L184 PolarHBondContact O-N 3.39Å; L184-S186 VanDerWaalsContact C-N 3.32Å; L184-S186 PolarHBondContact O-N 3.06Å; L184-K187 PolarHBondContact O-N 3.47Å; L184-K187 VanDerWaalsContact O-N 3.09Å; L184-H188 PolarHBondContact O-N 2.98Å; L184-V193 VanDerWaalsContact C-CG2 3.47Å; L184-V193 HydrophobicContact CB-CG2 3.54Å; L184-L196 HydrophobicContact CD1-CD2 3.45Å; L184-L196 VanDerWaalsContact CD1-CD2 3.45Å
185	A	97.1	Very high	96.2	Very high	32 Å²	32	60.4 Å²	60.4	26%	0.264	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-38.6	-178.3	0	0	0	0	0	111.1	R181 Q182 Y183 K187 G189 V193	R181-A185 WeakPolarHBondContact O-CB 3.34Å; R181-A185 PolarHBondContact O-N 3.17Å; Q182-A185 PolarHBondContact O-N 2.86Å; Y183-A185 VanDerWaalsContact C-N 3.34Å; A185-K187 VanDerWaalsContact C-N 3.29Å; A185-K187 PolarHBondContact O-N 3.38Å; A185-G189 CarbonylContact O-C 3.56Å; A185-G189 WeakPolarHBondContact O-CA 3.44Å; A185-G189 PolarHBondContact O-N 2.86Å; A185-V193 HydrophobicContact CB-CG2 4.22Å
186	S	97.6	Very high	96.5	Very high	111 Å²	111	58.8 Å²	58.8	78%	0.776	31%	0.31	S	S	*	.	H	α-helix	trans	-66.5	-29.3	173.5	-59.8	0	0	0	0	113.3	Q182 Y183 L184	Q182-S186 PolarHBondContact O-N 3.44Å; Q182-S186 PolarHBondContact O-OG 2.84Å; Q182-S186 VanDerWaalsContact O-OG 3.11Å; Y183-S186 PolarHBondContact O-N 3.01Å; L184-S186 VanDerWaalsContact C-N 3.32Å; L184-S186 PolarHBondContact O-N 3.06Å
187	K	97.4	Very high	96.6	Very high	111 Å²	111	56.1 Å²	56.1	48%	0.483	29%	0.293	S	S	.	.	H	α-helix	trans	-92.1	-38.4	-175.4	-176.5	168.4	168.6	-163.9	0	114	Y105 Y183 L184 A185	Y105-K187 VanDerWaalsContact OH-CD 3.3Å; Y105-K187 WeakPolarHBondContact OH-CD 3.39Å; Y105-K187 WeakPolarHBondContact OH-CE 3.31Å; Y105-K187 PolarHBondContact OH-NZ 3.39Å; Y183-K187 HydrophobicContact CE1-CD 4.17Å; Y183-K187 WeakPolarHBondContact O-CB 3.38Å; Y183-K187 PolarHBondContact O-N 3.42Å; Y183-K187 VanDerWaalsContact O-N 3.13Å; L184-K187 PolarHBondContact O-N 3.47Å; L184-K187 VanDerWaalsContact O-N 3.09Å; A185-K187 VanDerWaalsContact C-N 3.29Å; A185-K187 PolarHBondContact O-N 3.38Å
188	H	97.6	Very high	96.6	Very high	69 Å²	69	62.4 Å²	62.4	32%	0.319	32%	0.317	S	S	.	.	H	α-helix	trans	-114.8	-4.5	-173	-63.8	-68.1	0	0	0	113.7	Y105 L184 A192 L235	Y105-H188 AromaticContact CE2-CE1 3.93Å; Y105-H188 AromaticContact CE2-NE2 3.3Å; Y105-H188 VanDerWaalsContact CE2-NE2 3.3Å; Y105-H188 WeakPolarHBondContact CE2-NE2 3.28Å; Y105-H188 AromaticContact CZ-NE2 3.33Å; Y105-H188 VanDerWaalsContact CZ-NE2 3.33Å; Y105-H188 PolarHBondContact OH-NE2 2.99Å; L184-H188 PolarHBondContact O-N 2.98Å; H188-A192 HydrophobicContact CB-CB 4.15Å; H188-L235 HydrophobicContact CB-CD1 4.14Å
189	G	97.6	Very high	96.7	Very high	26 Å²	26	62.5 Å²	62.5	27%	0.268	32%	0.319	S	S	.	.			trans	85.4	157.4	-172.9	0	0	0	0	0	112.9	A185 E191 V193	A185-G189 CarbonylContact O-C 3.56Å; A185-G189 WeakPolarHBondContact O-CA 3.44Å; A185-G189 PolarHBondContact O-N 2.86Å; G189-E191 PolarHBondContact O-N 2.8Å; G189-V193 WeakPolarHBondContact O-CG2 3.41Å
190	P	94.7	Very high	96.8	Very high	84 Å²	84	56 Å²	56	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-39.2	-175.6	24.6	-33.2	0	0	0	112.9	A192 V193 E194	P190-A192 PolarHBondContact O-N 2.87Å; P190-V193 PolarHBondContact O-N 2.81Å; P190-V193 VanDerWaalsContact O-N 3.14Å; P190-E194 WeakPolarHBondContact O-CG 3.45Å; P190-E194 PolarHBondContact O-N 2.73Å
191	E	95.6	Very high	96.8	Very high	162 Å²	162	56.4 Å²	56.4	76%	0.757	30%	0.297	S	S	*	.	H	α-helix	trans	-63.1	-43.8	-174.9	-67.2	155.3	-170.9	0	0	113.1	G189 V193 E194 T195	G189-E191 PolarHBondContact O-N 2.8Å; E191-V193 VanDerWaalsContact C-N 3.28Å; E191-V193 PolarHBondContact O-N 2.76Å; E191-E194 PolarHBondContact O-N 2.78Å; E191-T195 PolarHBondContact O-N 3.06Å; E191-T195 PolarHBondContact O-OG1 3.04Å; E191-T195 VanDerWaalsContact O-OG1 3.13Å
192	A	96.9	Very high	96.7	Very high	36 Å²	36	58.3 Å²	58.3	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-38	175.4	0	0	0	0	0	111.3	H188 P190 T195 L196 L235	H188-A192 HydrophobicContact CB-CB 4.15Å; P190-A192 PolarHBondContact O-N 2.87Å; A192-T195 PolarHBondContact O-N 3.27Å; A192-L196 PolarHBondContact O-N 3.07Å; A192-L235 HydrophobicContact CB-CD1 4.35Å
193	V	96.4	Very high	96.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-71.8	-40.3	178	176.8	0	0	0	0	112	R181 L184 A185 G189 P190 E191 T195 L196 F197	R181-V193 HydrophobicContact CG-CG1 3.75Å; L184-V193 VanDerWaalsContact C-CG2 3.47Å; L184-V193 HydrophobicContact CB-CG2 3.54Å; A185-V193 HydrophobicContact CB-CG2 4.22Å; G189-V193 WeakPolarHBondContact O-CG2 3.41Å; P190-V193 PolarHBondContact O-N 2.81Å; P190-V193 VanDerWaalsContact O-N 3.14Å; E191-V193 VanDerWaalsContact C-N 3.28Å; E191-V193 PolarHBondContact O-N 2.76Å; V193-T195 VanDerWaalsContact C-N 3.26Å; V193-T195 PolarHBondContact O-N 3.15Å; V193-L196 PolarHBondContact O-N 3.43Å; V193-F197 HydrophobicContact CG1-CD2 3.66Å; V193-F197 HydrophobicContact CG1-CE2 3.74Å; V193-F197 VanDerWaalsContact O-CD2 3.29Å; V193-F197 WeakPolarHBondContact O-CD2 3.38Å; V193-F197 PolarHBondContact O-N 2.94Å
194	E	94.4	Very high	96.8	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.444	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-41.7	172.5	-67.5	-47.3	130.3	0	0	111.1	R181 P190 E191 F197 R198	R181-E194 IonicContact CZ-OE1 3.32Å; R181-E194 IonicContact NE-OE1 3.44Å; R181-E194 IonicContact NH2-OE1 3.87Å; R181-E194 PolarHBondContact NH2-OE1 2.88Å; R181-E194 IonicContact NH2-OE2 3.8Å; R181-E194 PolarHBondContact NH2-OE2 2.69Å; P190-E194 WeakPolarHBondContact O-CG 3.45Å; P190-E194 PolarHBondContact O-N 2.73Å; E191-E194 PolarHBondContact O-N 2.78Å; E194-F197 PolarHBondContact O-N 3.01Å; E194-R198 VanDerWaalsContact O-CB 3.31Å; E194-R198 WeakPolarHBondContact O-CB 3.29Å; E194-R198 PolarHBondContact O-N 2.93Å
195	T	96.3	Very high	96.7	Very high	57 Å²	57	52.4 Å²	52.4	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-49.1	175.7	-63.7	0	0	0	0	111.8	E191 A192 V193 F197 R198 D199	E191-T195 PolarHBondContact O-N 3.06Å; E191-T195 PolarHBondContact O-OG1 3.04Å; E191-T195 VanDerWaalsContact O-OG1 3.13Å; A192-T195 PolarHBondContact O-N 3.27Å; V193-T195 VanDerWaalsContact C-N 3.26Å; V193-T195 PolarHBondContact O-N 3.15Å; T195-F197 PolarHBondContact O-N 3.32Å; T195-R198 WeakPolarHBondContact O-CB 3.43Å; T195-R198 PolarHBondContact O-N 3.41Å; T195-D199 VanDerWaalsContact O-CG 3.31Å; T195-D199 PolarHBondContact O-N 3.25Å
196	L	97.8	Very high	96.7	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-48.3	176.7	165.3	64.1	0	0	0	112	L184 A192 V193 D199 I200 I231 L235 P237	L184-L196 HydrophobicContact CD1-CD2 3.45Å; L184-L196 VanDerWaalsContact CD1-CD2 3.45Å; A192-L196 PolarHBondContact O-N 3.07Å; V193-L196 PolarHBondContact O-N 3.43Å; L196-D199 PolarHBondContact O-N 2.88Å; L196-I200 HydrophobicContact CD1-CD1 4Å; L196-I200 HydrophobicContact CD1-CG1 4.26Å; L196-I200 HydrophobicContact CG-CD1 4.14Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 2.97Å; L196-I231 HydrophobicContact CD1-CD1 4.05Å; L196-I231 HydrophobicContact CD1-CG1 4.05Å; L196-I231 HydrophobicContact CD1-CG2 4.29Å; L196-I231 HydrophobicContact CD2-CD1 3.94Å; L196-L235 WeakPolarHBondContact CD1-O 3.35Å; L196-P237 HydrophobicContact CD1-CB 4.04Å; L196-P237 HydrophobicContact CD1-CG 4.06Å
197	F	96.7	Very high	96.7	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-69.6	-33.8	-177.9	-84.3	-102.9	0	0	0	112.1	L177 F180 R181 V193 E194 T195 D199 I200 D201 L316	L177-F197 HydrophobicContact CG-CE1 4.42Å; F180-F197 HydrophobicContact CD1-CZ 4.26Å; F180-F197 HydrophobicContact CE1-CZ 4.43Å; R181-F197 HydrophobicContact CB-CE1 4.43Å; R181-F197 HydrophobicContact CB-CE2 4.04Å; R181-F197 HydrophobicContact CB-CZ 3.66Å; R181-F197 HydrophobicContact CG-CD2 4.36Å; R181-F197 HydrophobicContact CG-CE1 4.37Å; R181-F197 HydrophobicContact CG-CE2 3.71Å; R181-F197 HydrophobicContact CG-CZ 3.72Å; V193-F197 HydrophobicContact CG1-CD2 3.66Å; V193-F197 HydrophobicContact CG1-CE2 3.74Å; V193-F197 VanDerWaalsContact O-CD2 3.29Å; V193-F197 WeakPolarHBondContact O-CD2 3.38Å; V193-F197 PolarHBondContact O-N 2.94Å; E194-F197 PolarHBondContact O-N 3.01Å; T195-F197 PolarHBondContact O-N 3.32Å; F197-D199 VanDerWaalsContact C-N 3.32Å; F197-D199 PolarHBondContact O-N 3.44Å; F197-I200 WeakPolarHBondContact O-CB 3.45Å; F197-I200 PolarHBondContact O-N 3.13Å; F197-D201 PolarHBondContact O-N 3.27Å; F197-L316 HydrophobicContact CD1-CB 4.03Å; F197-L316 HydrophobicContact CD1-CD2 3.93Å; F197-L316 HydrophobicContact CD1-CG 4.01Å; F197-L316 WeakPolarHBondContact CD1-O 3.35Å; F197-L316 HydrophobicContact CE1-CB 4.37Å; F197-L316 HydrophobicContact CE1-CD2 4.14Å; F197-L316 HydrophobicContact CE1-CG 3.99Å; F197-L316 WeakPolarHBondContact CE1-O 3.41Å
198	R	95.6	Very high	96.7	Very high	131 Å²	131	47.7 Å²	47.7	49%	0.494	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-41	169	-179.3	-175.8	66.3	-158.7	-3.7	111.8	E194 T195 I200 D201 N202	E194-R198 VanDerWaalsContact O-CB 3.31Å; E194-R198 WeakPolarHBondContact O-CB 3.29Å; E194-R198 PolarHBondContact O-N 2.93Å; T195-R198 WeakPolarHBondContact O-CB 3.43Å; T195-R198 PolarHBondContact O-N 3.41Å; R198-I200 VanDerWaalsContact C-N 3.32Å; R198-D201 PolarHBondContact O-N 2.99Å; R198-N202 PolarHBondContact O-N 3.46Å; R198-N202 PolarHBondContact O-ND2 3.49Å
199	D	97.4	Very high	96.6	Very high	57 Å²	57	48 Å²	48	31%	0.305	25%	0.25	S	C	.	.	H	α-helix	trans	-69	-32.8	177.7	-68.8	-16.9	0	0	0	112	T195 L196 F197 N202 I203 P237	T195-D199 VanDerWaalsContact O-CG 3.31Å; T195-D199 PolarHBondContact O-N 3.25Å; L196-D199 PolarHBondContact O-N 2.88Å; F197-D199 VanDerWaalsContact C-N 3.32Å; F197-D199 PolarHBondContact O-N 3.44Å; D199-N202 WeakPolarHBondContact O-CB 3.2Å; D199-N202 PolarHBondContact O-N 3.31Å; D199-I203 WeakPolarHBondContact O-CG1 3.49Å; D199-I203 PolarHBondContact O-N 3.19Å; D199-I203 VanDerWaalsContact O-N 3.14Å; D199-P237 HydrophobicContact CB-CG 3.61Å
200	I	98.1	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-45.4	170	-68.4	170.2	0	0	0	111	L114 L196 F197 R198 N202 I203 F204 I229 P237 L316	L114-I200 HydrophobicContact CD1-CD1 4.12Å; L196-I200 HydrophobicContact CD1-CD1 4Å; L196-I200 HydrophobicContact CD1-CG1 4.26Å; L196-I200 HydrophobicContact CG-CD1 4.14Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 2.97Å; F197-I200 WeakPolarHBondContact O-CB 3.45Å; F197-I200 PolarHBondContact O-N 3.13Å; R198-I200 VanDerWaalsContact C-N 3.32Å; I200-N202 VanDerWaalsContact C-N 3.28Å; I200-N202 PolarHBondContact O-N 2.79Å; I200-I203 VanDerWaalsContact O-CB 3.32Å; I200-I203 WeakPolarHBondContact O-CB 3.14Å; I200-I203 PolarHBondContact O-N 2.79Å; I200-F204 HydrophobicContact CG2-CD2 4.39Å; I200-F204 HydrophobicContact CG2-CE1 4.13Å; I200-F204 HydrophobicContact CG2-CE2 3.47Å; I200-F204 VanDerWaalsContact CG2-CE2 3.47Å; I200-F204 HydrophobicContact CG2-CZ 3.3Å; I200-F204 PolarHBondContact O-N 2.68Å; I200-I229 HydrophobicContact CG1-CG2 4.34Å; I200-P237 HydrophobicContact CD1-CB 4.42Å; I200-P237 HydrophobicContact CG1-CB 3.55Å; I200-P237 HydrophobicContact CG1-CG 3.92Å; I200-L316 HydrophobicContact CG2-CD2 3.83Å
201	D	96.4	Very high	96.5	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-40.6	176.9	-67.4	-27.2	0	0	0	111.6	L130 F197 R198 I203 F204 V205 T314	L130-D201 WeakPolarHBondContact CD2-OD1 3.15Å; F197-D201 PolarHBondContact O-N 3.27Å; R198-D201 PolarHBondContact O-N 2.99Å; D201-I203 VanDerWaalsContact C-N 3.26Å; D201-I203 PolarHBondContact O-N 3.32Å; D201-F204 PolarHBondContact O-N 3.41Å; D201-F204 VanDerWaalsContact O-N 3.12Å; D201-V205 PolarHBondContact O-N 2.8Å; D201-T314 VanDerWaalsContact OD2-CB 3.26Å; D201-T314 WeakPolarHBondContact OD2-CB 3.29Å; D201-T314 PolarHBondContact OD2-OG1 3.02Å
202	N	96.3	Very high	96.4	Very high	63 Å²	63	44 Å²	44	34%	0.337	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-34.7	174.6	-78.6	-35.9	0	0	0	112.6	R198 D199 I200 K206	R198-N202 PolarHBondContact O-N 3.46Å; R198-N202 PolarHBondContact O-ND2 3.49Å; D199-N202 WeakPolarHBondContact O-CB 3.2Å; D199-N202 PolarHBondContact O-N 3.31Å; I200-N202 VanDerWaalsContact C-N 3.28Å; I200-N202 PolarHBondContact O-N 2.79Å; N202-K206 VanDerWaalsContact O-CB 3.25Å; N202-K206 WeakPolarHBondContact O-CB 3.26Å; N202-K206 WeakPolarHBondContact O-CG 3.18Å; N202-K206 PolarHBondContact O-N 2.81Å
203	I	98.1	Very high	96	Very high	29 Å²	29	52.2 Å²	52.2	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-48.3	173.7	-72.9	169	0	0	0	110.2	D199 I200 D201 S207 I229 P237 L239	D199-I203 WeakPolarHBondContact O-CG1 3.49Å; D199-I203 PolarHBondContact O-N 3.19Å; D199-I203 VanDerWaalsContact O-N 3.14Å; I200-I203 VanDerWaalsContact O-CB 3.32Å; I200-I203 WeakPolarHBondContact O-CB 3.14Å; I200-I203 PolarHBondContact O-N 2.79Å; D201-I203 VanDerWaalsContact C-N 3.26Å; D201-I203 PolarHBondContact O-N 3.32Å; I203-S207 WeakPolarHBondContact O-CB 3.37Å; I203-S207 PolarHBondContact O-N 2.93Å; I203-S207 PolarHBondContact O-OG 2.84Å; I203-I229 HydrophobicContact CD1-CD1 4.39Å; I203-I229 HydrophobicContact CG2-CD1 3.87Å; I203-P237 HydrophobicContact CD1-CB 3.74Å; I203-P237 HydrophobicContact CD1-CG 3.9Å; I203-L239 HydrophobicContact CG2-CB 3.76Å; I203-L239 HydrophobicContact CG2-CD1 4.09Å; I203-L239 HydrophobicContact CG2-CD2 4.16Å; I203-L239 HydrophobicContact CG2-CG 4.22Å
204	F	97.6	Very high	95.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-42.6	-177.9	-53.8	-35.7	0	0	0	112.4	V116 V118 L130 I200 D201 S207 L208 Y227 I229 M289 L316	V116-F204 HydrophobicContact CB-CE1 4.48Å; V116-F204 HydrophobicContact CB-CZ 3.82Å; V116-F204 HydrophobicContact CG1-CE2 3.89Å; V116-F204 HydrophobicContact CG1-CZ 3.6Å; V116-F204 HydrophobicContact CG2-CZ 4.17Å; V118-F204 HydrophobicContact CG2-CB 4.46Å; V118-F204 HydrophobicContact CG2-CD1 4.37Å; V118-F204 HydrophobicContact CG2-CD2 4.35Å; V118-F204 HydrophobicContact CG2-CG 4.16Å; L130-F204 HydrophobicContact CD1-CD2 3.79Å; L130-F204 HydrophobicContact CD1-CE2 3.58Å; L130-F204 HydrophobicContact CD1-CZ 4.47Å; L130-F204 HydrophobicContact CD2-CD2 4.36Å; L130-F204 HydrophobicContact CD2-CE2 4.29Å; I200-F204 HydrophobicContact CG2-CD2 4.39Å; I200-F204 HydrophobicContact CG2-CE1 4.13Å; I200-F204 HydrophobicContact CG2-CE2 3.47Å; I200-F204 VanDerWaalsContact CG2-CE2 3.47Å; I200-F204 HydrophobicContact CG2-CZ 3.3Å; I200-F204 PolarHBondContact O-N 2.68Å; D201-F204 PolarHBondContact O-N 3.41Å; D201-F204 VanDerWaalsContact O-N 3.12Å; F204-S207 PolarHBondContact O-OG 3.32Å; F204-L208 VanDerWaalsContact O-CG 3.24Å; F204-L208 WeakPolarHBondContact O-CG 3.46Å; F204-L208 PolarHBondContact O-N 3.46Å; F204-Y227 AromaticContact CD1-CD1 3.39Å; F204-Y227 HydrophobicContact CD1-CD1 3.39Å; F204-Y227 HydrophobicContact CD1-CD2 4.33Å; F204-Y227 AromaticContact CD1-CE1 3.77Å; F204-Y227 HydrophobicContact CD1-CE1 3.77Å; F204-Y227 AromaticContact CD1-CG 3.71Å; F204-Y227 HydrophobicContact CD1-CG 3.71Å; F204-Y227 AromaticContact CE1-CD1 3.66Å; F204-Y227 HydrophobicContact CE1-CD1 3.66Å; F204-Y227 HydrophobicContact CE1-CE1 4.48Å; F204-Y227 AromaticContact CE1-CG 3.69Å; F204-Y227 HydrophobicContact CE1-CG 3.69Å; F204-I229 HydrophobicContact CE1-CD1 4Å; F204-I229 HydrophobicContact CE1-CG1 4.04Å; F204-I229 HydrophobicContact CZ-CG1 4.39Å; F204-M289 HydrophobicContact CB-CE 4.09Å; F204-M289 HydrophobicContact CB-SD 4.22Å; F204-L316 HydrophobicContact CE2-CD2 4.05Å; F204-L316 HydrophobicContact CZ-CD2 4.46Å
205	V	95.8	Very high	95.6	Very high	23 Å²	23	56 Å²	56	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-49.9	179.2	172.9	0	0	0	0	110.5	D201 S207 L208 Q209 M289 W290	D201-V205 PolarHBondContact O-N 2.8Å; V205-S207 VanDerWaalsContact C-N 3.34Å; V205-S207 PolarHBondContact O-N 3.34Å; V205-L208 PolarHBondContact O-N 3.01Å; V205-Q209 HydrophobicContact CG1-CG 4.27Å; V205-Q209 WeakPolarHBondContact O-CB 3.28Å; V205-Q209 VanDerWaalsContact O-CG 3.29Å; V205-Q209 WeakPolarHBondContact O-CG 3.47Å; V205-Q209 PolarHBondContact O-N 2.73Å; V205-M289 HydrophobicContact CG2-SD 4.43Å; V205-W290 HydrophobicContact CG1-CD2 4.36Å; V205-W290 HydrophobicContact CG1-CE3 3.6Å; V205-W290 HydrophobicContact CG1-CH2 4.33Å; V205-W290 HydrophobicContact CG1-CZ3 3.58Å; V205-W290 HydrophobicContact CG2-CE3 4.16Å
206	K	97.1	Very high	95.1	Very high	135 Å²	135	61 Å²	61	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-64.8	-37.9	-177.8	-71.3	175.4	-179.2	177.4	0	112	N202 S210	N202-K206 VanDerWaalsContact O-CB 3.25Å; N202-K206 WeakPolarHBondContact O-CB 3.26Å; N202-K206 WeakPolarHBondContact O-CG 3.18Å; N202-K206 PolarHBondContact O-N 2.81Å; K206-S210 WeakPolarHBondContact O-CB 3.34Å; K206-S210 PolarHBondContact O-N 3.02Å
207	S	97.6	Very high	94.6	Very high	18 Å²	18	62.6 Å²	62.6	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-47	176.8	60.4	0	0	0	0	111.2	I203 F204 V205 S210 Y227	I203-S207 WeakPolarHBondContact O-CB 3.37Å; I203-S207 PolarHBondContact O-N 2.93Å; I203-S207 PolarHBondContact O-OG 2.84Å; F204-S207 PolarHBondContact O-OG 3.32Å; V205-S207 VanDerWaalsContact C-N 3.34Å; V205-S207 PolarHBondContact O-N 3.34Å; S207-S210 PolarHBondContact O-N 2.95Å; S207-S210 PolarHBondContact O-OG 3.22Å; S207-Y227 VanDerWaalsContact OG-CE1 3.26Å; S207-Y227 WeakPolarHBondContact OG-CE1 3.38Å; S207-Y227 PolarHBondContact OG-OH 3.24Å
208	L	96.9	Very high	94.3	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-43.5	178.6	-67.9	174.9	0	0	0	112.3	V118 V120 Y123 L126 A128 F204 V205 S210 V211 Q212 M289	V118-L208 HydrophobicContact CG1-CD1 4.13Å; V120-L208 HydrophobicContact CG2-CD1 4.01Å; V120-L208 HydrophobicContact CG2-CD2 3.71Å; Y123-L208 HydrophobicContact CE1-CD2 3.98Å; L126-L208 HydrophobicContact CD1-CB 4.31Å; L126-L208 HydrophobicContact CD2-CB 4.06Å; A128-L208 HydrophobicContact CB-CD1 3.68Å; F204-L208 VanDerWaalsContact O-CG 3.24Å; F204-L208 WeakPolarHBondContact O-CG 3.46Å; F204-L208 PolarHBondContact O-N 3.46Å; V205-L208 PolarHBondContact O-N 3.01Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 2.92Å; L208-V211 VanDerWaalsContact O-CG2 3.26Å; L208-V211 WeakPolarHBondContact O-CG2 3.5Å; L208-V211 PolarHBondContact O-N 3.05Å; L208-Q212 PolarHBondContact O-N 3.48Å; L208-M289 HydrophobicContact CD1-CE 3.42Å; L208-M289 VanDerWaalsContact CD1-CE 3.42Å
209	Q	95.6	Very high	93.7	Very high	77 Å²	77	68.3 Å²	68.3	36%	0.36	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-38.5	176.7	-74.4	176.8	-30.9	0	0	112.2	L126 V205 V211 Q212 W290	L126-Q209 HydrophobicContact CD2-CG 4.24Å; V205-Q209 HydrophobicContact CG1-CG 4.27Å; V205-Q209 WeakPolarHBondContact O-CB 3.28Å; V205-Q209 VanDerWaalsContact O-CG 3.29Å; V205-Q209 WeakPolarHBondContact O-CG 3.47Å; V205-Q209 PolarHBondContact O-N 2.73Å; Q209-V211 PolarHBondContact O-N 3.08Å; Q209-Q212 WeakPolarHBondContact O-CB 3.34Å; Q209-Q212 PolarHBondContact O-N 2.67Å; Q209-W290 VanDerWaalsContact NE2-CZ2 3.27Å
210	S	96.1	Very high	93.3	Very high	91 Å²	91	72.4 Å²	72.4	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-27	-179.6	77.5	0	0	0	0	113.6	K206 S207 L208	K206-S210 WeakPolarHBondContact O-CB 3.34Å; K206-S210 PolarHBondContact O-N 3.02Å; S207-S210 PolarHBondContact O-N 2.95Å; S207-S210 PolarHBondContact O-OG 3.22Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 2.92Å
211	V	94.5	Very high	93	Very high	51 Å²	51	76.2 Å²	76.2	31%	0.309	40%	0.395	S	S	.	.	H	α-helix	trans	-108.9	-5.9	-177.6	-60.9	0	0	0	0	113.3	Y123 L208 Q209 K213 V214 I215	Y123-V211 HydrophobicContact CE1-CG2 3.99Å; L208-V211 VanDerWaalsContact O-CG2 3.26Å; L208-V211 WeakPolarHBondContact O-CG2 3.5Å; L208-V211 PolarHBondContact O-N 3.05Å; Q209-V211 PolarHBondContact O-N 3.08Å; V211-K213 PolarHBondContact O-N 3.44Å; V211-K213 VanDerWaalsContact O-N 3.13Å; V211-V214 PolarHBondContact O-N 3.41Å; V211-I215 HydrophobicContact CB-CD1 3.82Å; V211-I215 HydrophobicContact CB-CG1 4.07Å; V211-I215 HydrophobicContact CG2-CD1 3.46Å; V211-I215 VanDerWaalsContact CG2-CD1 3.46Å; V211-I215 HydrophobicContact CG2-CG1 4.21Å; V211-I215 PolarHBondContact O-N 3.29Å
212	Q	92.7	Very high	93	Very high	46 Å²	46	79.8 Å²	79.8	22%	0.215	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.6	-172.5	-171.9	-176.6	-19.1	0	0	113.4	Y123 L126 L208 Q209 V214	Y123-Q212 WeakPolarHBondContact O-CG 3.33Å; Y123-Q212 PolarHBondContact O-NE2 3.42Å; Y123-Q212 VanDerWaalsContact O-NE2 3.13Å; L126-Q212 HydrophobicContact CB-CG 4.27Å; L208-Q212 PolarHBondContact O-N 3.48Å; Q209-Q212 WeakPolarHBondContact O-CB 3.34Å; Q209-Q212 PolarHBondContact O-N 2.67Å; Q212-V214 VanDerWaalsContact C-N 3.34Å
213	K	89.3	Confident	93	Very high	208 Å²	208	80.2 Å²	80.2	90%	0.904	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.8	179.8	-62.8	-175.9	180	-179.7	0	114	V211	V211-K213 PolarHBondContact O-N 3.44Å; V211-K213 VanDerWaalsContact O-N 3.13Å
214	V	91.6	Very high	93	Very high	120 Å²	120	79.8 Å²	79.8	73%	0.727	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-35.9	-173.6	-177.2	0	0	0	0	111	V211 Q212 I216	V211-V214 PolarHBondContact O-N 3.41Å; Q212-V214 VanDerWaalsContact C-N 3.34Å; V214-I216 PolarHBondContact O-N 2.84Å
215	I	89.4	Confident	93	Very high	56 Å²	56	81.2 Å²	81.2	29%	0.287	41%	0.414	S	S	.	.	S	Bend	trans	-73.3	126	179.1	-67.3	179.9	0	0	0	109.8	Y123 V211 S217	Y123-I215 HydrophobicContact CD1-CB 4.39Å; Y123-I215 HydrophobicContact CD1-CD1 4.48Å; Y123-I215 HydrophobicContact CD2-CB 4.15Å; Y123-I215 HydrophobicContact CD2-CG2 3.47Å; Y123-I215 VanDerWaalsContact CD2-CG2 3.47Å; Y123-I215 HydrophobicContact CE1-CD1 3.8Å; Y123-I215 HydrophobicContact CE2-CB 4.29Å; Y123-I215 HydrophobicContact CE2-CD1 3.99Å; Y123-I215 HydrophobicContact CE2-CG2 3.58Å; Y123-I215 HydrophobicContact CG-CB 4.18Å; Y123-I215 HydrophobicContact CG-CG2 4Å; V211-I215 HydrophobicContact CB-CD1 3.82Å; V211-I215 HydrophobicContact CB-CG1 4.07Å; V211-I215 HydrophobicContact CG2-CD1 3.46Å; V211-I215 VanDerWaalsContact CG2-CD1 3.46Å; V211-I215 HydrophobicContact CG2-CG1 4.21Å; V211-I215 PolarHBondContact O-N 3.29Å; I215-S217 PolarHBondContact O-N 3.43Å
216	I	87	Confident	93.1	Very high	162 Å²	162	80.1 Å²	80.1	83%	0.831	41%	0.407	S	S	*	.			trans	-66.4	125.7	172.6	-59	171.7	0	0	0	108.1	V214	V214-I216 PolarHBondContact O-N 2.84Å
217	S	87.5	Confident	93.1	Very high	35 Å²	35	73.9 Å²	73.9	25%	0.245	38%	0.38	C	S	.	.			trans	-107.8	116.9	179.4	-161.5	0	0	0	0	109.9	S122 Y123 I124 I215	S122-S217 PolarHBondContact OG-OG 3.21Å; S122-S217 VanDerWaalsContact OG-OG 3.07Å; Y123-S217 PolarHBondContact N-OG 3Å; I124-S217 PolarHBondContact N-OG 3.36Å; I215-S217 PolarHBondContact O-N 3.43Å
218	D	89.1	Confident	93.1	Very high	77 Å²	77	73.3 Å²	73.3	41%	0.412	38%	0.375	S	S	.	.			trans	-109.5	135.5	168.1	-170	-65.7	0	0	0	109	H220 C221	D218-H220 PolarHBondContact O-N 3.45Å; D218-H220 VanDerWaalsContact O-N 3.14Å; D218-H220 WeakPolarHBondContact OD1-CB 3.24Å; D218-H220 IonicContact OD1-CE1 2.79Å; D218-H220 IonicContact OD1-CG 2.73Å; D218-H220 PolarHBondContact OD1-N 2.84Å; D218-H220 IonicContact OD1-ND1 3.61Å; D218-H220 PolarHBondContact OD1-ND1 2.88Å; D218-C221 HydrophobicContact CB-CB 4.26Å; D218-C221 PolarHBondContact O-N 3.07Å
219	K	84.5	Confident	93.2	Very high	177 Å²	177	73.2 Å²	73.2	77%	0.77	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.5	-177.1	67.5	-179.3	-177.6	178.3	0	114.2
220	H	88.2	Confident	93.3	Very high	142 Å²	142	69.7 Å²	69.7	66%	0.657	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.4	176.8	-44.1	99.7	0	0	0	112.5	D218	D218-H220 PolarHBondContact O-N 3.45Å; D218-H220 VanDerWaalsContact O-N 3.14Å; D218-H220 WeakPolarHBondContact OD1-CB 3.24Å; D218-H220 IonicContact OD1-CE1 2.79Å; D218-H220 IonicContact OD1-CG 2.73Å; D218-H220 PolarHBondContact OD1-N 2.84Å; D218-H220 IonicContact OD1-ND1 3.61Å; D218-H220 PolarHBondContact OD1-ND1 2.88Å
221	C	92.3	Very high	93.4	Very high	81 Å²	81	65.4 Å²	65.4	55%	0.547	33%	0.328	S	S	.	.			trans	-104.3	139.9	178.2	-66.9	0	0	0	0	110.5	D218	D218-C221 HydrophobicContact CB-CB 4.26Å; D218-C221 PolarHBondContact O-N 3.07Å
222	F	95.4	Very high	93.6	Very high	82 Å²	82	63.8 Å²	63.8	36%	0.36	32%	0.318	S	S	.	.			trans	-135.4	154.5	165.8	64.7	-89.8	0	0	0	107.5	L119 V120 M121 T266 V270	L119-F222 HydrophobicContact CD1-CB 4.27Å; L119-F222 HydrophobicContact CD1-CD2 3.73Å; L119-F222 HydrophobicContact CD1-CG 4.41Å; V120-F222 VanDerWaalsContact O-CA 3.3Å; V120-F222 WeakPolarHBondContact O-CA 3.19Å; M121-F222 HydrophobicContact SD-CB 3.87Å; F222-T266 HydrophobicContact CD2-CG2 4.38Å; F222-T266 HydrophobicContact CE2-CG2 3.94Å; F222-V270 HydrophobicContact CD1-CG1 4.28Å; F222-V270 HydrophobicContact CD1-CG2 3.68Å; F222-V270 HydrophobicContact CD2-CG2 4.05Å; F222-V270 HydrophobicContact CE1-CG1 4.08Å; F222-V270 HydrophobicContact CE1-CG2 3.69Å; F222-V270 HydrophobicContact CE2-CG2 4.06Å; F222-V270 HydrophobicContact CG-CG2 3.86Å; F222-V270 HydrophobicContact CZ-CG2 3.89Å
223	E	96.3	Very high	93.8	Very high	72 Å²	72	66.5 Å²	66.5	34%	0.336	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.9	178.9	-167.6	71.7	-169.3	0	0	110	V120 Y225	V120-E223 PolarHBondContact N-O 2.84Å; V120-E223 PolarHBondContact O-N 2.83Å; E223-Y225 HydrophobicContact CB-CD2 4.38Å; E223-Y225 HydrophobicContact CB-CE1 4.37Å; E223-Y225 HydrophobicContact CB-CE2 3.7Å; E223-Y225 HydrophobicContact CG-CD1 4.1Å; E223-Y225 HydrophobicContact CG-CD2 4.28Å; E223-Y225 HydrophobicContact CG-CE1 3.55Å; E223-Y225 HydrophobicContact CG-CE2 3.79Å; E223-Y225 HydrophobicContact CG-CG 4.44Å
224	L	97.8	Very high	94.1	Very high	21 Å²	21	62.4 Å²	62.4	11%	0.11	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	102.2	175.4	-179.7	66.3	0	0	0	109.7	L119 P246 L262 F286	L119-L224 HydrophobicContact CB-CD1 4.02Å; L119-L224 HydrophobicContact CD1-CB 4.47Å; L224-P246 WeakPolarHBondContact O-CD 3.11Å; L224-P246 WeakPolarHBondContact O-CG 3.29Å; L224-L262 HydrophobicContact CD1-CD1 4.25Å; L224-L262 HydrophobicContact CD2-CD1 4.4Å; L224-L262 HydrophobicContact CD2-CD2 4.02Å; L224-L262 HydrophobicContact CD2-CG 4.09Å; L224-F286 HydrophobicContact CD1-CE1 4.44Å; L224-F286 HydrophobicContact CD1-CZ 4.06Å
225	Y	98	Very high	94.4	Very high	30 Å²	30	58.1 Å²	58.1	12%	0.118	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.9	179.9	-62	-76.7	0	0	0	112.4	Y117 V118 V120 Y123 E223 V242 N243 A244	Y117-Y225 WeakPolarHBondContact CA-O 3.5Å; V118-Y225 PolarHBondContact N-O 3.03Å; V118-Y225 PolarHBondContact O-N 3.29Å; V120-Y225 HydrophobicContact CB-CD2 4.42Å; V120-Y225 HydrophobicContact CB-CE2 3.97Å; V120-Y225 HydrophobicContact CG2-CD2 3.8Å; V120-Y225 HydrophobicContact CG2-CE2 3.66Å; Y123-Y225 VanDerWaalsContact OH-CE2 3.24Å; Y123-Y225 WeakPolarHBondContact OH-CE2 3.41Å; Y123-Y225 VanDerWaalsContact OH-CZ 3.28Å; Y123-Y225 PolarHBondContact OH-OH 2.89Å; E223-Y225 HydrophobicContact CB-CD2 4.38Å; E223-Y225 HydrophobicContact CB-CE1 4.37Å; E223-Y225 HydrophobicContact CB-CE2 3.7Å; E223-Y225 HydrophobicContact CG-CD1 4.1Å; E223-Y225 HydrophobicContact CG-CD2 4.28Å; E223-Y225 HydrophobicContact CG-CE1 3.55Å; E223-Y225 HydrophobicContact CG-CE2 3.79Å; E223-Y225 HydrophobicContact CG-CG 4.44Å; Y225-V242 HydrophobicContact CD1-CG1 3.75Å; Y225-V242 HydrophobicContact CG-CG1 4.01Å; Y225-N243 CarbonylContact C-O 3.59Å; Y225-N243 WeakPolarHBondContact CA-O 3.47Å; Y225-A244 HydrophobicContact CD1-CB 4.37Å; Y225-A244 HydrophobicContact CE1-CB 4.15Å
226	G	98.1	Very high	94.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.9	164.2	0	0	0	0	0	111.2	V116 N243	V116-G226 CarbonylContact O-C 3.58Å; V116-G226 WeakPolarHBondContact O-CA 3.38Å; G226-N243 PolarHBondContact N-O 2.9Å; G226-N243 PolarHBondContact O-N 3.2Å
227	Y	98.2	Very high	95.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.2	175.3	-81.8	-106.1	0	0	0	110.9	R115 V116 V118 F204 S207 L239 V242	R115-Y227 WeakPolarHBondContact CA-O 3.32Å; V116-Y227 PolarHBondContact N-O 3.3Å; V116-Y227 PolarHBondContact O-N 3.07Å; V118-Y227 HydrophobicContact CB-CD2 4.02Å; V118-Y227 HydrophobicContact CB-CE2 3.84Å; V118-Y227 HydrophobicContact CG1-CE2 4.48Å; V118-Y227 HydrophobicContact CG2-CD2 3.71Å; V118-Y227 HydrophobicContact CG2-CE2 3.84Å; F204-Y227 AromaticContact CD1-CD1 3.39Å; F204-Y227 HydrophobicContact CD1-CD1 3.39Å; F204-Y227 HydrophobicContact CD1-CD2 4.33Å; F204-Y227 AromaticContact CD1-CE1 3.77Å; F204-Y227 HydrophobicContact CD1-CE1 3.77Å; F204-Y227 AromaticContact CD1-CG 3.71Å; F204-Y227 HydrophobicContact CD1-CG 3.71Å; F204-Y227 AromaticContact CE1-CD1 3.66Å; F204-Y227 HydrophobicContact CE1-CD1 3.66Å; F204-Y227 HydrophobicContact CE1-CE1 4.48Å; F204-Y227 AromaticContact CE1-CG 3.69Å; F204-Y227 HydrophobicContact CE1-CG 3.69Å; S207-Y227 VanDerWaalsContact OG-CE1 3.26Å; S207-Y227 WeakPolarHBondContact OG-CE1 3.38Å; S207-Y227 PolarHBondContact OG-OH 3.24Å; Y227-L239 HydrophobicContact CD1-CD1 3.63Å; Y227-L239 HydrophobicContact CE1-CD1 4.13Å; Y227-V242 HydrophobicContact CD1-CG2 3.74Å; Y227-V242 HydrophobicContact CD2-CG1 4.08Å; Y227-V242 HydrophobicContact CE1-CB 4.44Å; Y227-V242 HydrophobicContact CE1-CG1 4.26Å; Y227-V242 HydrophobicContact CE1-CG2 3.36Å; Y227-V242 HydrophobicContact CE2-CG1 3.64Å; Y227-V242 HydrophobicContact CE2-CG2 4.29Å; Y227-V242 HydrophobicContact CG-CG2 4.35Å
228	D	97.5	Very high	95.9	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.6	175	-70.5	10.5	0	0	0	109	L114 R115 R137 L240 E241	L114-D228 WeakPolarHBondContact O-CA 3.18Å; R115-D228 IonicContact CZ-OD1 3.15Å; R115-D228 IonicContact NE-OD1 3.07Å; R115-D228 PolarHBondContact NE-OD1 2.82Å; R115-D228 VanDerWaalsContact NH2-CG 3.35Å; R115-D228 IonicContact NH2-OD1 2.62Å; R115-D228 PolarHBondContact NH2-OD1 3.28Å; R115-D228 IonicContact NH2-OD2 3.39Å; R115-D228 PolarHBondContact NH2-OD2 2.9Å; R115-D228 VanDerWaalsContact NH2-OD2 3.14Å; R137-D228 IonicContact CZ-OD2 3.57Å; R137-D228 IonicContact NH2-OD1 3.37Å; R137-D228 PolarHBondContact NH2-OD1 2.95Å; R137-D228 IonicContact NH2-OD2 3.28Å; R137-D228 PolarHBondContact NH2-OD2 2.89Å; D228-L240 HydrophobicContact CB-CB 4.11Å; D228-L240 WeakPolarHBondContact O-CB 3.29Å; D228-L240 PolarHBondContact O-N 2.84Å; D228-E241 HydrophobicContact CB-CG 3.78Å; D228-E241 PolarHBondContact N-O 3.36Å
229	I	98.3	Very high	96.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.2	-177.2	-53.7	-60.1	0	0	0	110.1	D113 L114 I200 I203 F204 P237 W238 L239	D113-I229 CarbonylContact C-O 3.57Å; D113-I229 WeakPolarHBondContact CA-O 3.18Å; L114-I229 HydrophobicContact CB-CB 4.27Å; L114-I229 PolarHBondContact N-O 2.79Å; L114-I229 PolarHBondContact O-N 3.25Å; I200-I229 HydrophobicContact CG1-CG2 4.34Å; I203-I229 HydrophobicContact CD1-CD1 4.39Å; I203-I229 HydrophobicContact CG2-CD1 3.87Å; F204-I229 HydrophobicContact CE1-CD1 4Å; F204-I229 HydrophobicContact CE1-CG1 4.04Å; F204-I229 HydrophobicContact CZ-CG1 4.39Å; I229-P237 HydrophobicContact CG2-CB 3.89Å; I229-W238 CarbonylContact C-O 3.54Å; I229-W238 WeakPolarHBondContact CA-O 3.39Å; I229-L239 HydrophobicContact CD1-CB 4.43Å; I229-L239 HydrophobicContact CD1-CD1 3.73Å
230	L	97.9	Very high	96.8	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.8	168.7	-166.1	72.2	0	0	0	109.8	I101 P104 F112 P237 W238 L240	I101-L230 HydrophobicContact CB-CD2 3.7Å; I101-L230 HydrophobicContact CD1-CB 4.47Å; I101-L230 HydrophobicContact CD1-CD2 3.56Å; I101-L230 HydrophobicContact CG1-CD2 4.19Å; I101-L230 HydrophobicContact CG2-CD2 3.84Å; P104-L230 HydrophobicContact CB-CD2 4.4Å; F112-L230 WeakPolarHBondContact O-CD1 3.39Å; L230-P237 CarbonylContact O-C 3.55Å; L230-P237 WeakPolarHBondContact O-CA 3.32Å; L230-W238 HydrophobicContact CB-CB 4.42Å; L230-W238 PolarHBondContact N-O 2.92Å; L230-W238 PolarHBondContact O-N 2.78Å; L230-L240 HydrophobicContact CB-CD1 3.99Å; L230-L240 HydrophobicContact CB-CD2 3.87Å; L230-L240 HydrophobicContact CB-CG 3.93Å; L230-L240 HydrophobicContact CD2-CD2 4.47Å
231	I	98.3	Very high	97.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.1	171.8	-62.2	161.8	0	0	0	107.7	Y105 F112 L114 F180 L196 L235 K236	Y105-I231 WeakPolarHBondContact CB-O 3.44Å; Y105-I231 PolarHBondContact N-O 2.88Å; F112-I231 HydrophobicContact CE2-CD1 4.36Å; L114-I231 HydrophobicContact CD1-CD1 3.76Å; L114-I231 HydrophobicContact CG-CD1 4.42Å; F180-I231 HydrophobicContact CE1-CD1 3.83Å; F180-I231 HydrophobicContact CZ-CD1 3.54Å; L196-I231 HydrophobicContact CD1-CD1 4.05Å; L196-I231 HydrophobicContact CD1-CG1 4.05Å; L196-I231 HydrophobicContact CD1-CG2 4.29Å; L196-I231 HydrophobicContact CD2-CD1 3.94Å; I231-L235 HydrophobicContact CG2-CD2 4.29Å; I231-K236 WeakPolarHBondContact CA-O 3.34Å
232	D	97.6	Very high	97.2	Very high	16 Å²	16	42.3 Å²	42.3	9%	0.086	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-90.7	172.8	174.7	71.5	20.5	0	0	0	112.8	I101 N103 Y105 D234 L235 K236 W238	I101-D232 HydrophobicContact CG2-CB 4.17Å; N103-D232 WeakPolarHBondContact O-CA 3.39Å; N103-D232 WeakPolarHBondContact O-CB 3.08Å; Y105-D232 WeakPolarHBondContact CB-O 3.33Å; D232-D234 PolarHBondContact O-N 3.14Å; D232-D234 PolarHBondContact OD1-N 3.27Å; D232-L235 PolarHBondContact O-N 3.27Å; D232-L235 PolarHBondContact OD1-N 3.15Å; D232-K236 PolarHBondContact N-O 2.69Å; D232-K236 WeakPolarHBondContact OD1-CB 3.08Å; D232-K236 PolarHBondContact OD1-N 3.5Å; D232-K236 WeakPolarHBondContact OD2-CB 3.41Å; D232-W238 PolarHBondContact OD2-NE1 2.97Å
233	Q	96.9	Very high	97.2	Very high	104 Å²	104	39.4 Å²	39.4	49%	0.486	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.5	-177.4	69.2	-178.9	9	0	0	114.2	N103 L235	N103-Q233 HydrophobicContact CB-CB 4.38Å; N103-Q233 VanDerWaalsContact CB-CD 3.47Å; N103-Q233 HydrophobicContact CB-CG 3.94Å; N103-Q233 PolarHBondContact O-N 3.31Å; Q233-L235 VanDerWaalsContact C-N 3.27Å; Q233-L235 PolarHBondContact O-N 2.71Å
234	D	97.2	Very high	96.8	Very high	122 Å²	122	38.2 Å²	38.2	65%	0.652	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	13.9	-177.9	-57.7	-50.2	0	0	0	111.7	D232 K236	D232-D234 PolarHBondContact O-N 3.14Å; D232-D234 PolarHBondContact OD1-N 3.27Å; D234-K236 PolarHBondContact O-N 2.67Å
235	L	97.6	Very high	96.3	Very high	30 Å²	30	42.1 Å²	42.1	16%	0.157	22%	0.224	C	C	.	.	S	Bend	trans	60	27.4	-175.6	-59.8	177.1	0	0	0	113.8	Y105 H188 A192 L196 I231 D232 Q233	Y105-L235 HydrophobicContact CD2-CD2 3.99Å; Y105-L235 HydrophobicContact CE2-CD2 4Å; H188-L235 HydrophobicContact CB-CD1 4.14Å; A192-L235 HydrophobicContact CB-CD1 4.35Å; L196-L235 WeakPolarHBondContact CD1-O 3.35Å; I231-L235 HydrophobicContact CG2-CD2 4.29Å; D232-L235 PolarHBondContact O-N 3.27Å; D232-L235 PolarHBondContact OD1-N 3.15Å; Q233-L235 VanDerWaalsContact C-N 3.27Å; Q233-L235 PolarHBondContact O-N 2.71Å
236	K	98.1	Very high	95.8	Very high	102 Å²	102	41.3 Å²	41.3	44%	0.443	22%	0.222	S	C	.	.			trans	-88.8	127.2	172.4	176	-176.7	178.1	-177	0	110.4	I231 D232 D234 W238	I231-K236 WeakPolarHBondContact CA-O 3.34Å; D232-K236 PolarHBondContact N-O 2.69Å; D232-K236 WeakPolarHBondContact OD1-CB 3.08Å; D232-K236 PolarHBondContact OD1-N 3.5Å; D232-K236 WeakPolarHBondContact OD2-CB 3.41Å; D234-K236 PolarHBondContact O-N 2.67Å; K236-W238 HydrophobicContact CD-CH2 4.45Å; K236-W238 HydrophobicContact CD-CZ2 3.66Å; K236-W238 VanDerWaalsContact CE-CZ2 3.46Å; K236-W238 VanDerWaalsContact NZ-CZ2 3.26Å; K236-W238 VanDerWaalsContact O-CD1 3.24Å
237	P	98.4	Very high	95.3	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.078	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	145.8	175.2	33	-33.1	0	0	0	111.9	L196 D199 I200 I203 I229 L230	L196-P237 HydrophobicContact CD1-CB 4.04Å; L196-P237 HydrophobicContact CD1-CG 4.06Å; D199-P237 HydrophobicContact CB-CG 3.61Å; I200-P237 HydrophobicContact CD1-CB 4.42Å; I200-P237 HydrophobicContact CG1-CB 3.55Å; I200-P237 HydrophobicContact CG1-CG 3.92Å; I203-P237 HydrophobicContact CD1-CB 3.74Å; I203-P237 HydrophobicContact CD1-CG 3.9Å; I229-P237 HydrophobicContact CG2-CB 3.89Å; L230-P237 CarbonylContact O-C 3.55Å; L230-P237 WeakPolarHBondContact O-CA 3.32Å
238	W	98.2	Very high	94.7	Very high	82 Å²	82	48 Å²	48	31%	0.311	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129	-178.8	-63.8	88.4	0	0	0	110.3	I101 I229 L230 D232 K236 L240	I101-W238 HydrophobicContact CD1-CB 3.67Å; I101-W238 HydrophobicContact CD1-CD2 3.87Å; I101-W238 HydrophobicContact CD1-CE3 4.48Å; I101-W238 HydrophobicContact CD1-CG 3.49Å; I101-W238 VanDerWaalsContact CD1-CG 3.49Å; I229-W238 CarbonylContact C-O 3.54Å; I229-W238 WeakPolarHBondContact CA-O 3.39Å; L230-W238 HydrophobicContact CB-CB 4.42Å; L230-W238 PolarHBondContact N-O 2.92Å; L230-W238 PolarHBondContact O-N 2.78Å; D232-W238 PolarHBondContact OD2-NE1 2.97Å; K236-W238 HydrophobicContact CD-CH2 4.45Å; K236-W238 HydrophobicContact CD-CZ2 3.66Å; K236-W238 VanDerWaalsContact CE-CZ2 3.46Å; K236-W238 VanDerWaalsContact NZ-CZ2 3.26Å; K236-W238 VanDerWaalsContact O-CD1 3.24Å; W238-L240 PolarHBondContact O-N 3.01Å
239	L	97.9	Very high	94	Very high	61 Å²	61	52.7 Å²	52.7	32%	0.319	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.8	171.1	-176.7	58.2	0	0	0	110.3	I203 Y227 I229 V242	I203-L239 HydrophobicContact CG2-CB 3.76Å; I203-L239 HydrophobicContact CG2-CD1 4.09Å; I203-L239 HydrophobicContact CG2-CD2 4.16Å; I203-L239 HydrophobicContact CG2-CG 4.22Å; Y227-L239 HydrophobicContact CD1-CD1 3.63Å; Y227-L239 HydrophobicContact CE1-CD1 4.13Å; I229-L239 HydrophobicContact CD1-CB 4.43Å; I229-L239 HydrophobicContact CD1-CD1 3.73Å; L239-V242 HydrophobicContact CD1-CG2 4.07Å; L239-V242 HydrophobicContact CD2-CG2 4.23Å
240	L	93.9	Very high	93.2	Very high	45 Å²	45	54.7 Å²	54.7	24%	0.236	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-44.7	175.2	-61.8	-173.6	0	0	0	112.5	K43 I101 D113 D228 L230 W238	K43-L240 PolarHBondContact NZ-O 3.45Å; I101-L240 HydrophobicContact CD1-CD2 4.5Å; D113-L240 HydrophobicContact CB-CD1 4.33Å; D228-L240 HydrophobicContact CB-CB 4.11Å; D228-L240 WeakPolarHBondContact O-CB 3.29Å; D228-L240 PolarHBondContact O-N 2.84Å; L230-L240 HydrophobicContact CB-CD1 3.99Å; L230-L240 HydrophobicContact CB-CD2 3.87Å; L230-L240 HydrophobicContact CB-CG 3.93Å; L230-L240 HydrophobicContact CD2-CD2 4.47Å; W238-L240 PolarHBondContact O-N 3.01Å
241	E	94.2	Very high	92.4	Very high	39 Å²	39	57 Å²	57	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	162.8	177.3	56.2	-177.1	-132.7	0	0	111.9	K43 D228 N243	K43-E241 IonicContact NZ-OE2 3.5Å; K43-E241 PolarHBondContact NZ-OE2 3.04Å; D228-E241 HydrophobicContact CB-CG 3.78Å; D228-E241 PolarHBondContact N-O 3.36Å; E241-N243 PolarHBondContact OE1-ND2 3.49Å; E241-N243 PolarHBondContact OE1-OD1 3.46Å
242	V	95.9	Very high	91.7	Very high	56 Å²	56	58.9 Å²	58.9	34%	0.339	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.8	169.8	-173.1	0	0	0	0	107.9	Y225 Y227 L239	Y225-V242 HydrophobicContact CD1-CG1 3.75Å; Y225-V242 HydrophobicContact CG-CG1 4.01Å; Y227-V242 HydrophobicContact CD1-CG2 3.74Å; Y227-V242 HydrophobicContact CD2-CG1 4.08Å; Y227-V242 HydrophobicContact CE1-CB 4.44Å; Y227-V242 HydrophobicContact CE1-CG1 4.26Å; Y227-V242 HydrophobicContact CE1-CG2 3.36Å; Y227-V242 HydrophobicContact CE2-CG1 3.64Å; Y227-V242 HydrophobicContact CE2-CG2 4.29Å; Y227-V242 HydrophobicContact CG-CG2 4.35Å; L239-V242 HydrophobicContact CD1-CG2 4.07Å; L239-V242 HydrophobicContact CD2-CG2 4.23Å
243	N	94.1	Very high	91.2	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.112	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.1	179.6	-72.4	-62.8	0	0	0	109.7	K13 Y225 G226 E241 S245	K13-N243 PolarHBondContact NZ-OD1 3.29Å; K13-N243 VanDerWaalsContact NZ-OD1 3.15Å; Y225-N243 CarbonylContact C-O 3.59Å; Y225-N243 WeakPolarHBondContact CA-O 3.47Å; G226-N243 PolarHBondContact N-O 2.9Å; G226-N243 PolarHBondContact O-N 3.2Å; E241-N243 PolarHBondContact OE1-ND2 3.49Å; E241-N243 PolarHBondContact OE1-OD1 3.46Å; N243-S245 VanDerWaalsContact C-N 3.33Å
244	A	87.9	Confident	90.7	Very high	47 Å²	47	65 Å²	65	39%	0.388	37%	0.366	S	S	.	.	S	Bend	trans	-64.3	-37.3	173.1	0	0	0	0	0	111.9	Y225 P246	Y225-A244 HydrophobicContact CD1-CB 4.37Å; Y225-A244 HydrophobicContact CE1-CB 4.15Å; A244-P246 WeakPolarHBondContact O-CD 3.49Å
245	S	87.3	Confident	90.3	Very high	103 Å²	103	59.4 Å²	59.4	72%	0.72	34%	0.337	S	S	*	.	S	Bend	trans	-116.3	77.5	177.2	-48.9	0	0	0	0	110.8	N243 S247	N243-S245 VanDerWaalsContact C-N 3.33Å; S245-S247 PolarHBondContact O-N 3.43Å
246	P	89.3	Confident	90	Very high	14 Å²	14	64.2 Å²	64.2	9%	0.091	35%	0.354	C	S	.	.			trans	-63.3	139.1	178.3	27.4	-33.7	0	0	0	110.6	Y117 L224 A244 L248	Y117-P246 HydrophobicContact CD1-CB 4.48Å; Y117-P246 HydrophobicContact CD1-CG 4.3Å; Y117-P246 HydrophobicContact CE1-CB 3.93Å; Y117-P246 HydrophobicContact CE1-CG 4.1Å; L224-P246 WeakPolarHBondContact O-CD 3.11Å; L224-P246 WeakPolarHBondContact O-CG 3.29Å; A244-P246 WeakPolarHBondContact O-CD 3.49Å; P246-L248 PolarHBondContact O-N 3.08Å
247	S	85.6	Confident	89.7	Confident	69 Å²	69	64.3 Å²	64.3	48%	0.483	36%	0.356	S	S	.	.			trans	-62.4	122.1	179	177.2	0	0	0	0	111.8	S245 K259	S245-S247 PolarHBondContact O-N 3.43Å; S247-K259 VanDerWaalsContact O-CE 3.24Å; S247-K259 WeakPolarHBondContact O-CE 3.45Å; S247-K259 PolarHBondContact O-NZ 2.81Å
248	L	86.4	Confident	89.5	Confident	76 Å²	76	64.7 Å²	64.7	40%	0.398	36%	0.357	S	S	.	.			trans	-99.4	6.3	176.2	-62.8	169.6	0	0	0	113	P246 A250 K259 L263	P246-L248 PolarHBondContact O-N 3.08Å; L248-A250 PolarHBondContact O-N 2.99Å; L248-K259 HydrophobicContact CD2-CB 4.48Å; L248-K259 HydrophobicContact CD2-CG 4.27Å; L248-K259 WeakPolarHBondContact O-CD 3.36Å; L248-L263 HydrophobicContact CD1-CD1 4.2Å; L248-L263 HydrophobicContact CD1-CD2 3.87Å; L248-L263 HydrophobicContact CD1-CG 4.47Å; L248-L263 HydrophobicContact CD2-CD2 4.47Å
249	T	83.8	Confident	89.4	Confident	103 Å²	103	61.3 Å²	61.3	63%	0.632	34%	0.344	S	S	*	.			trans	-68.2	121.2	174.9	-51.6	0	0	0	0	109.8	K259	T249-K259 PolarHBondContact O-NZ 2.92Å
250	A	81.6	Confident	89.3	Confident	42 Å²	42	61.1 Å²	61.1	35%	0.347	35%	0.346	S	S	.	.			trans	-75	128.8	178.6	0	0	0	0	0	111.6	L248 D255 Y256	L248-A250 PolarHBondContact O-N 2.99Å; A250-D255 WeakPolarHBondContact CA-OD2 3.34Å; A250-Y256 HydrophobicContact CB-CD2 3.91Å; A250-Y256 HydrophobicContact CB-CG 4.29Å
251	S	79.8	Confident	89.5	Confident	51 Å²	51	60.4 Å²	60.4	36%	0.357	34%	0.344	S	S	.	.	S	Bend	trans	-101.7	-17.5	174.9	65.4	0	0	0	0	114.3	K174 D255	K174-S251 PolarHBondContact NZ-OG 3.31Å; S251-D255 PolarHBondContact N-OD2 3.37Å; S251-D255 PolarHBondContact OG-OD2 3.48Å
252	S	83.5	Confident	89.6	Confident	42 Å²	42	58.5 Å²	58.5	29%	0.294	34%	0.335	S	S	.	.	S	Bend	trans	-146.6	170.7	176.5	72.2	0	0	0	0	109.5	E254 D255 Y256	S252-E254 VanDerWaalsContact C-N 3.34Å; S252-E254 PolarHBondContact OG-N 2.85Å; S252-E254 PolarHBondContact OG-OE2 3.45Å; S252-D255 PolarHBondContact O-N 2.86Å; S252-D255 PolarHBondContact OG-N 2.86Å; S252-Y256 PolarHBondContact O-N 2.88Å
253	Q	87	Confident	89.7	Confident	121 Å²	121	59.3 Å²	59.3	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-61.5	-41.5	174.6	-175.6	58.6	35.6	0	0	111.6	D255 Y256 E257	Q253-D255 VanDerWaalsContact C-N 3.33Å; Q253-D255 PolarHBondContact O-N 2.97Å; Q253-Y256 WeakPolarHBondContact O-CB 3.47Å; Q253-Y256 PolarHBondContact O-N 3.25Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.4Å; Q253-E257 PolarHBondContact NE2-OE1 2.71Å; Q253-E257 WeakPolarHBondContact O-CG 3.42Å; Q253-E257 PolarHBondContact O-N 2.91Å
254	E	86.2	Confident	89.8	Confident	126 Å²	126	62.5 Å²	62.5	59%	0.589	35%	0.352	S	S	*	.	H	α-helix	trans	-65.6	-38.1	177.8	-51.2	105.7	166.2	0	0	111.8	S252 Y256 E257 L258	S252-E254 VanDerWaalsContact C-N 3.34Å; S252-E254 PolarHBondContact OG-N 2.85Å; S252-E254 PolarHBondContact OG-OE2 3.45Å; E254-Y256 VanDerWaalsContact C-N 3.34Å; E254-E257 PolarHBondContact O-N 3.41Å; E254-L258 WeakPolarHBondContact O-CB 3.3Å; E254-L258 PolarHBondContact O-N 2.72Å
255	D	88.8	Confident	90.3	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-37.7	176.6	-167.6	54.8	0	0	0	111.3	K174 A250 S251 S252 Q253 K259	K174-D255 IonicContact NZ-OD1 3.22Å; K174-D255 PolarHBondContact NZ-OD1 2.83Å; K174-D255 IonicContact NZ-OD2 3.31Å; K174-D255 PolarHBondContact NZ-OD2 2.64Å; A250-D255 WeakPolarHBondContact CA-OD2 3.34Å; S251-D255 PolarHBondContact N-OD2 3.37Å; S251-D255 PolarHBondContact OG-OD2 3.48Å; S252-D255 PolarHBondContact O-N 2.86Å; S252-D255 PolarHBondContact OG-N 2.86Å; Q253-D255 VanDerWaalsContact C-N 3.33Å; Q253-D255 PolarHBondContact O-N 2.97Å; D255-K259 VanDerWaalsContact CG-NZ 3.3Å; D255-K259 WeakPolarHBondContact O-CB 3.48Å; D255-K259 WeakPolarHBondContact O-CD 3.37Å; D255-K259 VanDerWaalsContact O-CG 3.25Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å; D255-K259 PolarHBondContact O-N 3.28Å; D255-K259 VanDerWaalsContact O-N 3.08Å; D255-K259 VanDerWaalsContact OD1-CE 3.32Å; D255-K259 WeakPolarHBondContact OD1-CE 3.3Å; D255-K259 IonicContact OD1-NZ 3.69Å; D255-K259 PolarHBondContact OD1-NZ 3.22Å; D255-K259 IonicContact OD2-NZ 3.59Å; D255-K259 PolarHBondContact OD2-NZ 3.45Å
256	Y	91.6	Very high	90.8	Very high	132 Å²	132	55.7 Å²	55.7	52%	0.518	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-48.6	173.4	-179.2	-94.3	0	0	0	111.4	A250 S252 Q253 E254 K259 T260	A250-Y256 HydrophobicContact CB-CD2 3.91Å; A250-Y256 HydrophobicContact CB-CG 4.29Å; S252-Y256 PolarHBondContact O-N 2.88Å; Q253-Y256 WeakPolarHBondContact O-CB 3.47Å; Q253-Y256 PolarHBondContact O-N 3.25Å; E254-Y256 VanDerWaalsContact C-N 3.34Å; Y256-K259 PolarHBondContact O-N 3.23Å; Y256-T260 VanDerWaalsContact O-CB 3.31Å; Y256-T260 WeakPolarHBondContact O-CB 3.45Å; Y256-T260 PolarHBondContact O-N 2.82Å; Y256-T260 PolarHBondContact O-OG1 3.33Å
257	E	92.8	Very high	91.1	Very high	104 Å²	104	59.4 Å²	59.4	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-47.3	-179.8	-74.7	171.4	-164.7	0	0	111.8	Q253 E254 K259 T260 C261	Q253-E257 WeakPolarHBondContact CG-OE1 3.4Å; Q253-E257 PolarHBondContact NE2-OE1 2.71Å; Q253-E257 WeakPolarHBondContact O-CG 3.42Å; Q253-E257 PolarHBondContact O-N 2.91Å; E254-E257 PolarHBondContact O-N 3.41Å; E257-K259 PolarHBondContact O-N 2.83Å; E257-T260 PolarHBondContact O-N 3.09Å; E257-C261 WeakPolarHBondContact O-CB 3.26Å; E257-C261 PolarHBondContact O-N 3.02Å; E257-C261 PolarHBondContact O-SG 3.09Å
258	L	94.3	Very high	91.7	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-55.2	-52	176	173.6	67	0	0	0	111.1	Y117 Y131 D133 F135 E254 C261 L262	Y117-L258 HydrophobicContact CE2-CD2 4.44Å; Y131-L258 HydrophobicContact CD1-CD1 4.48Å; Y131-L258 HydrophobicContact CE1-CD1 3.97Å; D133-L258 HydrophobicContact CB-CD1 3.61Å; F135-L258 HydrophobicContact CD1-CD2 3.54Å; F135-L258 HydrophobicContact CE1-CD2 4.05Å; E254-L258 WeakPolarHBondContact O-CB 3.3Å; E254-L258 PolarHBondContact O-N 2.72Å; L258-C261 PolarHBondContact O-N 3.45Å; L258-L262 VanDerWaalsContact O-CB 3.26Å; L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 PolarHBondContact O-N 2.98Å
259	K	95.2	Very high	92.2	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-37.6	-175.3	-73.5	167	170.6	168.5	0	112.6	S247 L248 T249 D255 Y256 E257 L262 L263	S247-K259 VanDerWaalsContact O-CE 3.24Å; S247-K259 WeakPolarHBondContact O-CE 3.45Å; S247-K259 PolarHBondContact O-NZ 2.81Å; L248-K259 HydrophobicContact CD2-CB 4.48Å; L248-K259 HydrophobicContact CD2-CG 4.27Å; L248-K259 WeakPolarHBondContact O-CD 3.36Å; T249-K259 PolarHBondContact O-NZ 2.92Å; D255-K259 VanDerWaalsContact CG-NZ 3.3Å; D255-K259 WeakPolarHBondContact O-CB 3.48Å; D255-K259 WeakPolarHBondContact O-CD 3.37Å; D255-K259 VanDerWaalsContact O-CG 3.25Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å; D255-K259 PolarHBondContact O-N 3.28Å; D255-K259 VanDerWaalsContact O-N 3.08Å; D255-K259 VanDerWaalsContact OD1-CE 3.32Å; D255-K259 WeakPolarHBondContact OD1-CE 3.3Å; D255-K259 IonicContact OD1-NZ 3.69Å; D255-K259 PolarHBondContact OD1-NZ 3.22Å; D255-K259 IonicContact OD2-NZ 3.59Å; D255-K259 PolarHBondContact OD2-NZ 3.45Å; Y256-K259 PolarHBondContact O-N 3.23Å; E257-K259 PolarHBondContact O-N 2.83Å; K259-L262 PolarHBondContact O-N 2.97Å; K259-L263 VanDerWaalsContact O-CG 3.29Å; K259-L263 WeakPolarHBondContact O-CG 3.31Å; K259-L263 PolarHBondContact O-N 2.97Å
260	T	96.6	Very high	92.7	Very high	58 Å²	58	51 Å²	51	36%	0.356	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-47	175.2	-55.6	0	0	0	0	110.3	Y256 E257 L262 L263 E264	Y256-T260 VanDerWaalsContact O-CB 3.31Å; Y256-T260 WeakPolarHBondContact O-CB 3.45Å; Y256-T260 PolarHBondContact O-N 2.82Å; Y256-T260 PolarHBondContact O-OG1 3.33Å; E257-T260 PolarHBondContact O-N 3.09Å; T260-L262 PolarHBondContact O-N 3.46Å; T260-L263 PolarHBondContact O-N 3.32Å; T260-E264 WeakPolarHBondContact O-CB 3.48Å; T260-E264 PolarHBondContact O-N 2.95Å
261	C	96.9	Very high	93.4	Very high	29 Å²	29	50.1 Å²	50.1	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-40.8	176.4	-66.5	0	0	0	0	112.1	Y131 E257 L258 L263 E264 D265 R322	Y131-C261 VanDerWaalsContact OH-C 3.31Å; Y131-C261 PolarHBondContact OH-O 3.46Å; E257-C261 WeakPolarHBondContact O-CB 3.26Å; E257-C261 PolarHBondContact O-N 3.02Å; E257-C261 PolarHBondContact O-SG 3.09Å; L258-C261 PolarHBondContact O-N 3.45Å; C261-L263 PolarHBondContact O-N 3.39Å; C261-E264 PolarHBondContact O-N 3.13Å; C261-D265 VanDerWaalsContact O-CB 3.29Å; C261-D265 WeakPolarHBondContact O-CB 3.27Å; C261-D265 PolarHBondContact O-N 3.5Å; C261-R322 PolarHBondContact SG-NH1 3.42Å
262	L	97.8	Very high	93.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-47	176.5	172.2	67.8	0	0	0	111.6	Y117 Y131 L224 L258 K259 T260 T266 F286	Y117-L262 HydrophobicContact CD1-CD2 3.55Å; Y117-L262 HydrophobicContact CD2-CD1 4.48Å; Y117-L262 HydrophobicContact CD2-CD2 3.78Å; Y117-L262 HydrophobicContact CE1-CD2 3.67Å; Y117-L262 HydrophobicContact CE2-CD2 3.92Å; Y117-L262 HydrophobicContact CG-CD1 4.14Å; Y117-L262 HydrophobicContact CG-CD2 3.58Å; Y131-L262 HydrophobicContact CD1-CB 4.44Å; Y131-L262 HydrophobicContact CD1-CD1 3.64Å; Y131-L262 HydrophobicContact CD2-CD1 3.56Å; Y131-L262 HydrophobicContact CE1-CB 4Å; Y131-L262 HydrophobicContact CE1-CD1 3.99Å; Y131-L262 HydrophobicContact CE2-CB 4.48Å; Y131-L262 HydrophobicContact CE2-CD1 3.92Å; Y131-L262 HydrophobicContact CG-CD1 3.41Å; Y131-L262 VanDerWaalsContact CG-CD1 3.41Å; Y131-L262 PolarHBondContact OH-N 3.27Å; L224-L262 HydrophobicContact CD1-CD1 4.25Å; L224-L262 HydrophobicContact CD2-CD1 4.4Å; L224-L262 HydrophobicContact CD2-CD2 4.02Å; L224-L262 HydrophobicContact CD2-CG 4.09Å; L258-L262 VanDerWaalsContact O-CB 3.26Å; L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 PolarHBondContact O-N 2.98Å; K259-L262 PolarHBondContact O-N 2.97Å; T260-L262 PolarHBondContact O-N 3.46Å; L262-T266 WeakPolarHBondContact O-CB 3.17Å; L262-T266 PolarHBondContact O-N 2.91Å; L262-T266 PolarHBondContact O-OG1 2.79Å; L262-F286 HydrophobicContact CD1-CE1 4.38Å; L262-F286 HydrophobicContact CD1-CE2 4.15Å; L262-F286 HydrophobicContact CD1-CZ 3.6Å
263	L	97.2	Very high	94.1	Very high	73 Å²	73	59.3 Å²	59.3	38%	0.382	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-43.9	179	-69.3	172.6	0	0	0	111.8	L248 K259 T260 C261 D265 T266 L267	L248-L263 HydrophobicContact CD1-CD1 4.2Å; L248-L263 HydrophobicContact CD1-CD2 3.87Å; L248-L263 HydrophobicContact CD1-CG 4.47Å; L248-L263 HydrophobicContact CD2-CD2 4.47Å; K259-L263 VanDerWaalsContact O-CG 3.29Å; K259-L263 WeakPolarHBondContact O-CG 3.31Å; K259-L263 PolarHBondContact O-N 2.97Å; T260-L263 PolarHBondContact O-N 3.32Å; C261-L263 PolarHBondContact O-N 3.39Å; L263-D265 VanDerWaalsContact C-N 3.34Å; L263-D265 PolarHBondContact O-N 3.34Å; L263-T266 WeakPolarHBondContact O-CB 3.41Å; L263-T266 PolarHBondContact O-N 3.11Å; L263-L267 WeakPolarHBondContact O-CG 3.19Å; L263-L267 PolarHBondContact O-N 2.91Å
264	E	96.9	Very high	94.2	Very high	88 Å²	88	57.6 Å²	57.6	41%	0.411	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-47.6	175.9	-167.4	-167.7	165.8	0	0	110.9	T260 C261 T266 L267 H268 R322	T260-E264 WeakPolarHBondContact O-CB 3.48Å; T260-E264 PolarHBondContact O-N 2.95Å; C261-E264 PolarHBondContact O-N 3.13Å; E264-T266 VanDerWaalsContact C-N 3.31Å; E264-T266 PolarHBondContact O-N 2.74Å; E264-L267 PolarHBondContact O-N 2.9Å; E264-H268 PolarHBondContact O-N 3.15Å; E264-H268 PolarHBondContact O-ND1 2.98Å; E264-H268 VanDerWaalsContact O-ND1 3.13Å; E264-H268 IonicContact OE1-CE1 3.83Å; E264-R322 IonicContact OE1-NH2 3.97Å; E264-R322 IonicContact OE2-CZ 2.83Å; E264-R322 IonicContact OE2-NH1 3.83Å; E264-R322 PolarHBondContact OE2-NH1 3.09Å; E264-R322 IonicContact OE2-NH2 3.69Å; E264-R322 PolarHBondContact OE2-NH2 2.87Å
265	D	97.7	Very high	94.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.5	-30.3	178.2	-65.2	-20.6	0	0	0	112.4	Y131 C261 L263 L267 H268 V269 G285 F286 R322	Y131-D265 HydrophobicContact CE2-CB 3.86Å; Y131-D265 WeakPolarHBondContact CE2-OD2 3.3Å; Y131-D265 PolarHBondContact OH-OD2 3.12Å; C261-D265 VanDerWaalsContact O-CB 3.29Å; C261-D265 WeakPolarHBondContact O-CB 3.27Å; C261-D265 PolarHBondContact O-N 3.5Å; L263-D265 VanDerWaalsContact C-N 3.34Å; L263-D265 PolarHBondContact O-N 3.34Å; D265-L267 VanDerWaalsContact C-N 3.35Å; D265-H268 WeakPolarHBondContact O-CB 3.25Å; D265-H268 PolarHBondContact O-N 3.12Å; D265-H268 IonicContact OD1-ND1 3.4Å; D265-V269 WeakPolarHBondContact O-CG2 3.02Å; D265-V269 PolarHBondContact O-N 3.19Å; D265-G285 PolarHBondContact OD2-N 3.08Å; D265-F286 HydrophobicContact CB-CD2 3.81Å; D265-F286 HydrophobicContact CB-CE2 3.99Å; D265-R322 IonicContact OD1-CZ 3.04Å; D265-R322 IonicContact OD1-NE 3.99Å; D265-R322 PolarHBondContact OD1-NE 3.28Å; D265-R322 VanDerWaalsContact OD1-NE 3.09Å; D265-R322 IonicContact OD1-NH2 2.64Å; D265-R322 PolarHBondContact OD1-NH2 3.28Å; D265-R322 IonicContact OD2-CZ 2.93Å; D265-R322 IonicContact OD2-NE 2.78Å; D265-R322 PolarHBondContact OD2-NE 2.78Å; D265-R322 IonicContact OD2-NH2 2.79Å
266	T	97.7	Very high	94.7	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.043	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-46.9	173.3	-61.9	0	0	0	0	109.6	L119 F222 L262 L263 E264 H268 V269 V270 F286	L119-T266 HydrophobicContact CD1-CG2 4.02Å; L119-T266 HydrophobicContact CD2-CG2 4.05Å; F222-T266 HydrophobicContact CD2-CG2 4.38Å; F222-T266 HydrophobicContact CE2-CG2 3.94Å; L262-T266 WeakPolarHBondContact O-CB 3.17Å; L262-T266 PolarHBondContact O-N 2.91Å; L262-T266 PolarHBondContact O-OG1 2.79Å; L263-T266 WeakPolarHBondContact O-CB 3.41Å; L263-T266 PolarHBondContact O-N 3.11Å; E264-T266 VanDerWaalsContact C-N 3.31Å; E264-T266 PolarHBondContact O-N 2.74Å; T266-H268 VanDerWaalsContact C-N 3.3Å; T266-H268 PolarHBondContact O-N 3.27Å; T266-V269 PolarHBondContact O-N 2.91Å; T266-V269 VanDerWaalsContact O-N 3.15Å; T266-V270 HydrophobicContact CG2-CG2 4.44Å; T266-V270 VanDerWaalsContact O-CG2 3.31Å; T266-V270 WeakPolarHBondContact O-CG2 3.45Å; T266-V270 PolarHBondContact O-N 3.18Å; T266-F286 WeakPolarHBondContact OG1-CE2 3.49Å
267	L	96.6	Very high	94.6	Very high	91 Å²	91	54.7 Å²	54.7	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-33.7	176.6	-63.4	176.4	0	0	0	112.3	L263 E264 D265 D271 M272	L263-L267 WeakPolarHBondContact O-CG 3.19Å; L263-L267 PolarHBondContact O-N 2.91Å; E264-L267 PolarHBondContact O-N 2.9Å; D265-L267 VanDerWaalsContact C-N 3.35Å; L267-D271 PolarHBondContact O-N 2.89Å; L267-M272 HydrophobicContact CD2-CE 4.23Å
268	H	96.8	Very high	94.5	Very high	28 Å²	28	51.6 Å²	51.6	13%	0.13	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-39.4	171.7	-69.6	132.4	0	0	0	112.7	E264 D265 T266 R275 L276 V283 L326 F330	E264-H268 PolarHBondContact O-N 3.15Å; E264-H268 PolarHBondContact O-ND1 2.98Å; E264-H268 VanDerWaalsContact O-ND1 3.13Å; E264-H268 IonicContact OE1-CE1 3.83Å; D265-H268 WeakPolarHBondContact O-CB 3.25Å; D265-H268 PolarHBondContact O-N 3.12Å; D265-H268 IonicContact OD1-ND1 3.4Å; T266-H268 VanDerWaalsContact C-N 3.3Å; T266-H268 PolarHBondContact O-N 3.27Å; H268-R275 PolarHBondContact CD2-NH2 3.07Å; H268-L276 WeakPolarHBondContact O-CD1 3.46Å; H268-V283 HydrophobicContact CB-CG1 3.63Å; H268-L326 HydrophobicContact CB-CD2 4.48Å; H268-F330 AromaticContact CD2-CE2 3.84Å; H268-F330 AromaticContact CD2-CZ 3.68Å; H268-F330 AromaticContact NE2-CE2 3.93Å
269	V	97.1	Very high	94.4	Very high	10 Å²	10	61.2 Å²	61.2	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-71.7	-40.4	176.8	173.3	0	0	0	0	111.9	L119 M121 W129 D265 T266 D271 V283 F286	L119-V269 HydrophobicContact CD2-CB 3.81Å; L119-V269 HydrophobicContact CD2-CG1 3.65Å; L119-V269 HydrophobicContact CD2-CG2 4.33Å; M121-V269 HydrophobicContact CG-CG1 4.18Å; M121-V269 HydrophobicContact SD-CG1 4.01Å; W129-V269 HydrophobicContact CD2-CG1 3.95Å; W129-V269 HydrophobicContact CD2-CG2 4.4Å; W129-V269 HydrophobicContact CE3-CG2 4.39Å; W129-V269 HydrophobicContact CG-CG1 4.13Å; W129-V269 HydrophobicContact CZ2-CG1 3.99Å; D265-V269 WeakPolarHBondContact O-CG2 3.02Å; D265-V269 PolarHBondContact O-N 3.19Å; T266-V269 PolarHBondContact O-N 2.91Å; T266-V269 VanDerWaalsContact O-N 3.15Å; V269-D271 PolarHBondContact O-N 2.95Å; V269-V283 HydrophobicContact CG2-CB 3.73Å; V269-V283 HydrophobicContact CG2-CG1 3.91Å; V269-V283 HydrophobicContact CG2-CG2 4.41Å; V269-F286 HydrophobicContact CG2-CB 3.89Å; V269-F286 HydrophobicContact CG2-CD2 3.75Å; V269-F286 HydrophobicContact CG2-CG 4.01Å
270	V	95.8	Very high	94.4	Very high	34 Å²	34	61.6 Å²	61.6	21%	0.206	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-33.4	176.7	172.3	0	0	0	0	111.1	M121 F222 T266 M272	M121-V270 HydrophobicContact CE-CB 4.49Å; M121-V270 HydrophobicContact CE-CG2 4.19Å; M121-V270 HydrophobicContact SD-CG2 4.13Å; F222-V270 HydrophobicContact CD1-CG1 4.28Å; F222-V270 HydrophobicContact CD1-CG2 3.68Å; F222-V270 HydrophobicContact CD2-CG2 4.05Å; F222-V270 HydrophobicContact CE1-CG1 4.08Å; F222-V270 HydrophobicContact CE1-CG2 3.69Å; F222-V270 HydrophobicContact CE2-CG2 4.06Å; F222-V270 HydrophobicContact CG-CG2 3.86Å; F222-V270 HydrophobicContact CZ-CG2 3.89Å; T266-V270 HydrophobicContact CG2-CG2 4.44Å; T266-V270 VanDerWaalsContact O-CG2 3.31Å; T266-V270 WeakPolarHBondContact O-CG2 3.45Å; T266-V270 PolarHBondContact O-N 3.18Å; V270-M272 HydrophobicContact CG1-CG 3.95Å; V270-M272 PolarHBondContact O-N 3.18Å
271	D	94.5	Very high	94.3	Very high	24 Å²	24	62.1 Å²	62.1	13%	0.128	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	56.4	170.2	-169.5	36.8	0	0	0	114.1	L267 V269 E273 A274 R275 L276	L267-D271 PolarHBondContact O-N 2.89Å; V269-D271 PolarHBondContact O-N 2.95Å; D271-E273 PolarHBondContact O-N 2.85Å; D271-A274 PolarHBondContact O-N 2.88Å; D271-A274 VanDerWaalsContact OD2-C 3.3Å; D271-A274 VanDerWaalsContact OD2-CA 3.27Å; D271-A274 WeakPolarHBondContact OD2-CA 3.47Å; D271-R275 VanDerWaalsContact CG-N 3.26Å; D271-R275 PolarHBondContact OD1-N 3Å; D271-R275 IonicContact OD1-NE 3.64Å; D271-R275 PolarHBondContact OD2-N 3.2Å; D271-L276 HydrophobicContact CB-CB 4.45Å; D271-L276 HydrophobicContact CB-CD1 3.9Å; D271-L276 HydrophobicContact CB-CG 3.94Å; D271-L276 VanDerWaalsContact OD2-CB 3.28Å; D271-L276 WeakPolarHBondContact OD2-CB 3.46Å; D271-L276 WeakPolarHBondContact OD2-CG 3.32Å; D271-L276 PolarHBondContact OD2-N 3.11Å
272	M	88.9	Confident	94.2	Very high	149 Å²	149	63.1 Å²	63.1	73%	0.734	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.1	179	-63.1	-174.3	-68.9	0	0	113.8	L267 V270	L267-M272 HydrophobicContact CD2-CE 4.23Å; V270-M272 HydrophobicContact CG1-CG 3.95Å; V270-M272 PolarHBondContact O-N 3.18Å
273	E	89	Confident	94.2	Very high	137 Å²	137	63.1 Å²	63.1	64%	0.64	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	1.6	178.5	-67.9	177.8	-177.4	0	0	113.2	D271 R275	D271-E273 PolarHBondContact O-N 2.85Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 HydrophobicContact CB-CG 3.78Å; E273-R275 PolarHBondContact O-N 3.28Å; E273-R275 VanDerWaalsContact OE2-CD 3.22Å; E273-R275 WeakPolarHBondContact OE2-CD 3.12Å; E273-R275 IonicContact OE2-CZ 3.03Å; E273-R275 IonicContact OE2-NE 3.49Å; E273-R275 PolarHBondContact OE2-NE 2.49Å; E273-R275 IonicContact OE2-NH1 3.34Å; E273-R275 PolarHBondContact OE2-NH1 3.37Å
274	A	90.6	Very high	94.2	Very high	85 Å²	85	59.6 Å²	59.6	70%	0.702	30%	0.301	S	S	*	.			trans	50.2	46.9	-177.7	0	0	0	0	0	113.1	D271	D271-A274 PolarHBondContact O-N 2.88Å; D271-A274 VanDerWaalsContact OD2-C 3.3Å; D271-A274 VanDerWaalsContact OD2-CA 3.27Å; D271-A274 WeakPolarHBondContact OD2-CA 3.47Å
275	R	90.4	Very high	94.2	Very high	95 Å²	95	55.4 Å²	55.4	36%	0.358	28%	0.281	S	S	.	.			trans	-87.3	-26.9	-180	-62.4	-179.2	-63.2	-165.7	10.5	112.9	H268 D271 E273 F330 L333	H268-R275 PolarHBondContact CD2-NH2 3.07Å; D271-R275 VanDerWaalsContact CG-N 3.26Å; D271-R275 PolarHBondContact OD1-N 3Å; D271-R275 IonicContact OD1-NE 3.64Å; D271-R275 PolarHBondContact OD2-N 3.2Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 HydrophobicContact CB-CG 3.78Å; E273-R275 PolarHBondContact O-N 3.28Å; E273-R275 VanDerWaalsContact OE2-CD 3.22Å; E273-R275 WeakPolarHBondContact OE2-CD 3.12Å; E273-R275 IonicContact OE2-CZ 3.03Å; E273-R275 IonicContact OE2-NE 3.49Å; E273-R275 PolarHBondContact OE2-NE 2.49Å; E273-R275 IonicContact OE2-NH1 3.34Å; E273-R275 PolarHBondContact OE2-NH1 3.37Å; R275-F330 HydrophobicContact CB-CE1 4.42Å; R275-L333 WeakPolarHBondContact O-CD1 3.24Å
276	L	93.6	Very high	94.2	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.157	28%	0.281	C	S	.	.	S	Bend	trans	-80.5	155.8	-176.7	-59.4	-173.4	0	0	0	111.3	H268 D271 E280 V283 L329 F330 L333	H268-L276 WeakPolarHBondContact O-CD1 3.46Å; D271-L276 HydrophobicContact CB-CB 4.45Å; D271-L276 HydrophobicContact CB-CD1 3.9Å; D271-L276 HydrophobicContact CB-CG 3.94Å; D271-L276 VanDerWaalsContact OD2-CB 3.28Å; D271-L276 WeakPolarHBondContact OD2-CB 3.46Å; D271-L276 WeakPolarHBondContact OD2-CG 3.32Å; D271-L276 PolarHBondContact OD2-N 3.11Å; L276-E280 HydrophobicContact CD2-CG 4.21Å; L276-V283 HydrophobicContact CD1-CG2 3.99Å; L276-L329 HydrophobicContact CD2-CD2 3.96Å; L276-L329 HydrophobicContact CD2-CG 4.49Å; L276-F330 HydrophobicContact CD2-CE1 4.38Å; L276-L333 HydrophobicContact CD2-CD1 3.95Å
277	T	91.4	Very high	94.2	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.472	28%	0.279	S	S	.	.			trans	-85.7	-14.6	178.3	66.4	0	0	0	0	113.2	R279 E280 L333	T277-R279 VanDerWaalsContact C-N 3.29Å; T277-R279 PolarHBondContact OG1-N 2.93Å; T277-E280 WeakPolarHBondContact CB-OE1 3.35Å; T277-E280 PolarHBondContact N-OE1 2.62Å; T277-E280 PolarHBondContact N-OE2 2.7Å; T277-E280 VanDerWaalsContact OG1-CD 3.3Å; T277-E280 PolarHBondContact OG1-OE1 2.79Å; T277-E280 PolarHBondContact OG1-OE2 3.19Å; T277-L333 HydrophobicContact CG2-CD2 3.65Å
278	G	90.3	Very high	94.2	Very high	38 Å²	38	51.1 Å²	51.1	39%	0.392	26%	0.259	S	S	.	.	S	Bend	trans	84.8	-2.9	-173.4	0	0	0	0	0	114.1	E280	G278-E280 WeakPolarHBondContact CA-OE2 3.25Å; G278-E280 PolarHBondContact N-OE2 3.42Å
279	R	91.3	Very high	94.2	Very high	222 Å²	222	50.2 Å²	50.2	84%	0.838	26%	0.255	S	S	*	.			trans	-103.5	0.9	-179.8	-59.5	-176.8	-175.7	173.6	1.7	113.3	T277 K281	T277-R279 VanDerWaalsContact C-N 3.29Å; T277-R279 PolarHBondContact OG1-N 2.93Å; R279-K281 PolarHBondContact O-N 3.2Å
280	E	94.6	Very high	94.2	Very high	18 Å²	18	51.5 Å²	51.5	8%	0.084	26%	0.258	C	S	.	.			trans	-63.1	123.9	-177.6	-66.5	71.1	-157.5	0	0	110.3	W129 L276 T277 G278 V283 L329	W129-E280 HydrophobicContact CH2-CB 4.4Å; W129-E280 WeakPolarHBondContact CH2-O 3.32Å; L276-E280 HydrophobicContact CD2-CG 4.21Å; T277-E280 WeakPolarHBondContact CB-OE1 3.35Å; T277-E280 PolarHBondContact N-OE1 2.62Å; T277-E280 PolarHBondContact N-OE2 2.7Å; T277-E280 VanDerWaalsContact OG1-CD 3.3Å; T277-E280 PolarHBondContact OG1-OE1 2.79Å; T277-E280 PolarHBondContact OG1-OE2 3.19Å; G278-E280 WeakPolarHBondContact CA-OE2 3.25Å; G278-E280 PolarHBondContact N-OE2 3.42Å; E280-V283 HydrophobicContact CB-CG2 3.84Å; E280-V283 HydrophobicContact CG-CG2 4.3Å; E280-L329 HydrophobicContact CG-CD1 3.88Å
281	K	95.2	Very high	94.2	Very high	70 Å²	70	53.5 Å²	53.5	30%	0.304	27%	0.268	S	S	.	.	S	Bend	trans	-84.8	-15.2	170	-67.8	-172.4	179.3	-175.6	0	112.4	R279 L288 V295 S296 E298 N313	R279-K281 PolarHBondContact O-N 3.2Å; K281-L288 WeakPolarHBondContact O-CB 3.26Å; K281-L288 PolarHBondContact O-N 3.11Å; K281-V295 HydrophobicContact CD-CG1 4.08Å; K281-V295 HydrophobicContact CG-CG1 4.07Å; K281-S296 PolarHBondContact NZ-O 3.21Å; K281-E298 PolarHBondContact NZ-O 3.48Å; K281-N313 PolarHBondContact O-ND2 3.23Å
282	R	96	Very high	94.1	Very high	49 Å²	49	57.5 Å²	57.5	19%	0.185	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.9	-176.9	-63.2	-171.5	59.5	-146.3	-16.1	110.5	R132 F286 D287 D321 Q325	R132-R282 VanDerWaalsContact CZ-NH2 3.29Å; R282-F286 WeakPolarHBondContact CA-O 3.18Å; R282-D287 WeakPolarHBondContact CG-OD1 3.03Å; R282-D287 IonicContact CZ-OD1 2.91Å; R282-D287 IonicContact NE-OD1 3.09Å; R282-D287 PolarHBondContact NE-OD1 3.45Å; R282-D321 IonicContact CZ-OD1 2.8Å; R282-D321 IonicContact CZ-OD2 3.9Å; R282-D321 IonicContact NH1-OD1 3.91Å; R282-D321 PolarHBondContact NH1-OD1 3.04Å; R282-D321 IonicContact NH1-OD2 3.43Å; R282-D321 PolarHBondContact NH1-OD2 2.85Å; R282-D321 IonicContact NH2-OD1 2.72Å; R282-D321 PolarHBondContact NH2-OD1 3.04Å; R282-D321 IonicContact NH2-OD2 2.71Å; R282-Q325 HydrophobicContact CB-CG 4.44Å; R282-Q325 PolarHBondContact O-NE2 2.8Å
283	V	97	Very high	94.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	111.2	174.4	-178.5	0	0	0	0	108.6	W129 H268 V269 L276 E280 G285 F286 L326 L329	W129-V283 HydrophobicContact CH2-CG2 3.84Å; W129-V283 HydrophobicContact CZ3-CB 4.34Å; W129-V283 HydrophobicContact CZ3-CG2 3.94Å; H268-V283 HydrophobicContact CB-CG1 3.63Å; V269-V283 HydrophobicContact CG2-CB 3.73Å; V269-V283 HydrophobicContact CG2-CG1 3.91Å; V269-V283 HydrophobicContact CG2-CG2 4.41Å; L276-V283 HydrophobicContact CD1-CG2 3.99Å; E280-V283 HydrophobicContact CB-CG2 3.84Å; E280-V283 HydrophobicContact CG-CG2 4.3Å; V283-G285 PolarHBondContact O-N 3.46Å; V283-F286 PolarHBondContact N-O 3.41Å; V283-F286 WeakPolarHBondContact O-CB 3.49Å; V283-F286 PolarHBondContact O-N 2.93Å; V283-L326 HydrophobicContact CG1-CD2 4.4Å; V283-L329 HydrophobicContact CG1-CD2 4.33Å; V283-L329 HydrophobicContact CG2-CD2 4.25Å
284	G	96.3	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-128.5	-173.2	0	0	0	0	0	112	F286	G284-F286 VanDerWaalsContact C-N 3.32Å
285	G	96.8	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4	172.4	0	0	0	0	0	114.6	R132 D265 V283	R132-G285 WeakPolarHBondContact CB-O 3.34Å; R132-G285 PolarHBondContact N-O 3.4Å; D265-G285 PolarHBondContact OD2-N 3.08Å; V283-G285 PolarHBondContact O-N 3.46Å
286	F	98.1	Very high	94.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.6	177	-77.3	-75.1	0	0	0	112	L119 W129 L130 Y131 L224 L262 D265 T266 V269 R282 V283 G284	L119-F286 HydrophobicContact CB-CD1 4.22Å; L119-F286 HydrophobicContact CB-CE1 3.53Å; L119-F286 HydrophobicContact CB-CZ 3.85Å; L119-F286 HydrophobicContact CD2-CE1 4.33Å; L119-F286 HydrophobicContact CD2-CE2 4.27Å; L119-F286 HydrophobicContact CD2-CZ 4.11Å; W129-F286 HydrophobicContact CB-CB 4.17Å; W129-F286 HydrophobicContact CB-CD1 3.67Å; W129-F286 HydrophobicContact CB-CE1 4.44Å; W129-F286 HydrophobicContact CB-CG 4.19Å; W129-F286 HydrophobicContact CE3-CB 3.92Å; L130-F286 WeakPolarHBondContact O-CA 3.24Å; Y131-F286 AromaticContact CD2-CD1 3.78Å; Y131-F286 HydrophobicContact CD2-CD1 3.78Å; Y131-F286 AromaticContact CD2-CD2 3.64Å; Y131-F286 HydrophobicContact CD2-CD2 3.64Å; Y131-F286 AromaticContact CD2-CE1 3.7Å; Y131-F286 HydrophobicContact CD2-CE1 3.7Å; Y131-F286 AromaticContact CD2-CE2 3.53Å; Y131-F286 HydrophobicContact CD2-CE2 3.53Å; Y131-F286 AromaticContact CD2-CG 3.75Å; Y131-F286 HydrophobicContact CD2-CG 3.75Å; Y131-F286 AromaticContact CD2-CZ 3.58Å; Y131-F286 HydrophobicContact CD2-CZ 3.58Å; Y131-F286 AromaticContact CE2-CD2 3.95Å; Y131-F286 HydrophobicContact CE2-CD2 3.95Å; Y131-F286 AromaticContact CE2-CE2 3.88Å; Y131-F286 HydrophobicContact CE2-CE2 3.88Å; Y131-F286 HydrophobicContact CE2-CG 4.42Å; Y131-F286 HydrophobicContact CE2-CZ 4.33Å; Y131-F286 HydrophobicContact CG-CD1 4.44Å; Y131-F286 HydrophobicContact CG-CE1 4.17Å; Y131-F286 HydrophobicContact CG-CZ 4.25Å; L224-F286 HydrophobicContact CD1-CE1 4.44Å; L224-F286 HydrophobicContact CD1-CZ 4.06Å; L262-F286 HydrophobicContact CD1-CE1 4.38Å; L262-F286 HydrophobicContact CD1-CE2 4.15Å; L262-F286 HydrophobicContact CD1-CZ 3.6Å; D265-F286 HydrophobicContact CB-CD2 3.81Å; D265-F286 HydrophobicContact CB-CE2 3.99Å; T266-F286 WeakPolarHBondContact OG1-CE2 3.49Å; V269-F286 HydrophobicContact CG2-CB 3.89Å; V269-F286 HydrophobicContact CG2-CD2 3.75Å; V269-F286 HydrophobicContact CG2-CG 4.01Å; R282-F286 WeakPolarHBondContact CA-O 3.18Å; V283-F286 PolarHBondContact N-O 3.41Å; V283-F286 WeakPolarHBondContact O-CB 3.49Å; V283-F286 PolarHBondContact O-N 2.93Å; G284-F286 VanDerWaalsContact C-N 3.32Å
287	D	97.7	Very high	94.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.3	167.3	-52.4	-50.8	0	0	0	109.4	W129 L130 R132 R282 M289 N313 H315	W129-D287 CarbonylContact C-O 3.55Å; W129-D287 WeakPolarHBondContact CA-O 3.18Å; L130-D287 PolarHBondContact N-O 2.95Å; L130-D287 PolarHBondContact O-N 3.24Å; R132-D287 IonicContact CZ-OD1 3.27Å; R132-D287 IonicContact CZ-OD2 2.67Å; R132-D287 IonicContact NE-OD1 2.67Å; R132-D287 IonicContact NE-OD2 2.79Å; R132-D287 PolarHBondContact NE-OD2 2.89Å; R132-D287 IonicContact NH2-OD1 2.69Å; R132-D287 PolarHBondContact NH2-OD1 2.75Å; R132-D287 IonicContact NH2-OD2 3.14Å; R132-D287 PolarHBondContact NH2-OD2 3.15Å; R282-D287 WeakPolarHBondContact CG-OD1 3.03Å; R282-D287 IonicContact CZ-OD1 2.91Å; R282-D287 IonicContact NE-OD1 3.09Å; R282-D287 PolarHBondContact NE-OD1 3.45Å; D287-M289 PolarHBondContact O-N 2.94Å; D287-M289 VanDerWaalsContact O-N 3.16Å; D287-N313 WeakPolarHBondContact CB-O 3.41Å; D287-H315 IonicContact OD1-ND1 3.09Å; D287-H315 VanDerWaalsContact OD2-CB 3.29Å; D287-H315 WeakPolarHBondContact OD2-CB 3.4Å; D287-H315 IonicContact OD2-CG 2.71Å; D287-H315 PolarHBondContact OD2-N 2.67Å; D287-H315 VanDerWaalsContact OD2-N 3.1Å; D287-H315 IonicContact OD2-ND1 3.8Å; D287-H315 PolarHBondContact OD2-ND1 3.01Å
288	L	97.7	Very high	93.7	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	110.3	177.8	-178.2	65.1	0	0	0	108.3	R127 W129 K281 N291 V295 N313	R127-L288 HydrophobicContact CG-CD1 4.08Å; W129-L288 HydrophobicContact CD2-CB 4.07Å; W129-L288 HydrophobicContact CD2-CD1 3.79Å; W129-L288 HydrophobicContact CE3-CB 3.68Å; W129-L288 HydrophobicContact CE3-CD1 4.3Å; W129-L288 VanDerWaalsContact CE3-N 3.32Å; W129-L288 HydrophobicContact CG-CD1 4.21Å; W129-L288 HydrophobicContact CH2-CB 3.98Å; W129-L288 HydrophobicContact CH2-CD1 4.35Å; W129-L288 HydrophobicContact CZ2-CB 4.35Å; W129-L288 HydrophobicContact CZ2-CD1 3.85Å; W129-L288 HydrophobicContact CZ2-CG 4.49Å; W129-L288 HydrophobicContact CZ3-CB 3.64Å; K281-L288 WeakPolarHBondContact O-CB 3.26Å; K281-L288 PolarHBondContact O-N 3.11Å; L288-N291 HydrophobicContact CD1-CB 4.34Å; L288-N291 HydrophobicContact CD2-CB 4.05Å; L288-N291 HydrophobicContact CG-CB 4.4Å; L288-V295 HydrophobicContact CD2-CG1 4.49Å; L288-V295 HydrophobicContact CD2-CG2 3.99Å; L288-V295 HydrophobicContact CG-CG2 3.84Å; L288-V295 WeakPolarHBondContact O-CB 3.34Å; L288-N313 PolarHBondContact O-ND2 3.28Å
289	M	96.3	Very high	92.1	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-33.3	-178.4	68.2	171.1	-166.7	0	0	112.2	V118 A128 L130 F204 V205 L208 D287 V295 T314	V118-M289 HydrophobicContact CG1-CE 3.76Å; A128-M289 HydrophobicContact CB-CE 3.45Å; A128-M289 VanDerWaalsContact CB-CE 3.45Å; A128-M289 HydrophobicContact CB-CG 4.27Å; A128-M289 VanDerWaalsContact O-CG 3.26Å; A128-M289 WeakPolarHBondContact O-CG 3.24Å; A128-M289 PolarHBondContact O-N 3.44Å; L130-M289 HydrophobicContact CB-CB 4.42Å; L130-M289 HydrophobicContact CB-CG 4.5Å; L130-M289 HydrophobicContact CB-SD 4.17Å; F204-M289 HydrophobicContact CB-CE 4.09Å; F204-M289 HydrophobicContact CB-SD 4.22Å; V205-M289 HydrophobicContact CG2-SD 4.43Å; L208-M289 HydrophobicContact CD1-CE 3.42Å; L208-M289 VanDerWaalsContact CD1-CE 3.42Å; D287-M289 PolarHBondContact O-N 2.94Å; D287-M289 VanDerWaalsContact O-N 3.16Å; M289-V295 PolarHBondContact O-N 3.3Å; M289-V295 VanDerWaalsContact O-N 3.11Å; M289-T314 HydrophobicContact CB-CG2 3.84Å
290	W	96.2	Very high	90.3	Very high	37 Å²	37	46.4 Å²	46.4	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.8	-175.6	-165.1	-84.7	0	0	0	111.2	L126 R127 A128 V205 Q209 G293 P294	L126-W290 HydrophobicContact CD2-CG 4.24Å; L126-W290 HydrophobicContact CG-CG 4.4Å; L126-W290 VanDerWaalsContact O-CD1 3.28Å; R127-W290 WeakPolarHBondContact CA-O 3.28Å; A128-W290 HydrophobicContact CB-CB 4.44Å; A128-W290 PolarHBondContact N-O 3.4Å; A128-W290 PolarHBondContact O-N 2.96Å; V205-W290 HydrophobicContact CG1-CD2 4.36Å; V205-W290 HydrophobicContact CG1-CE3 3.6Å; V205-W290 HydrophobicContact CG1-CH2 4.33Å; V205-W290 HydrophobicContact CG1-CZ3 3.58Å; V205-W290 HydrophobicContact CG2-CE3 4.16Å; Q209-W290 VanDerWaalsContact NE2-CZ2 3.27Å; W290-G293 CarbonylContact C-O 3.58Å; W290-G293 WeakPolarHBondContact CA-O 3.14Å; W290-G293 VanDerWaalsContact CE2-N 3.33Å; W290-G293 VanDerWaalsContact NE1-N 3.14Å; W290-P294 HydrophobicContact CE3-CB 3.97Å; W290-P294 HydrophobicContact CH2-CB 4.46Å; W290-P294 HydrophobicContact CH2-CG 4.49Å; W290-P294 HydrophobicContact CZ3-CB 3.67Å; W290-P294 HydrophobicContact CZ3-CG 4.15Å
291	N	95.6	Very high	87.9	Confident	75 Å²	75	50.1 Å²	50.1	40%	0.401	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	81.4	175.3	-175.1	43.7	0	0	0	109.5	L288 G293 V295	L288-N291 HydrophobicContact CD1-CB 4.34Å; L288-N291 HydrophobicContact CD2-CB 4.05Å; L288-N291 HydrophobicContact CG-CB 4.4Å; N291-G293 PolarHBondContact N-O 3.31Å; N291-G293 PolarHBondContact O-N 3.2Å; N291-V295 HydrophobicContact CB-CG2 3.94Å
292	D	93.6	Very high	85.7	Confident	108 Å²	108	50.5 Å²	50.5	58%	0.578	29%	0.287	S	S	*	.	S	Bend	trans	51.8	21.2	-167.3	-147	34.1	0	0	0	114.9	P125 L126	P125-D292 HydrophobicContact CB-CB 3.73Å; P125-D292 VanDerWaalsContact CB-CG 3.43Å; P125-D292 WeakPolarHBondContact CB-OD1 3.3Å; L126-D292 PolarHBondContact O-N 2.99Å
293	G	94.2	Very high	83.3	Confident	18 Å²	18	54 Å²	54	19%	0.186	31%	0.309	C	S	.	.	S	Bend	trans	169.1	160.9	-172.5	0	0	0	0	0	109.5	W290 N291 V295	W290-G293 CarbonylContact C-O 3.58Å; W290-G293 WeakPolarHBondContact CA-O 3.14Å; W290-G293 VanDerWaalsContact CE2-N 3.33Å; W290-G293 VanDerWaalsContact NE1-N 3.14Å; N291-G293 PolarHBondContact N-O 3.31Å; N291-G293 PolarHBondContact O-N 3.2Å; G293-V295 PolarHBondContact O-N 3.08Å
294	P	93.7	Very high	81.1	Confident	67 Å²	67	62.6 Å²	62.6	44%	0.435	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-68.6	134.5	-179.2	32.2	-36.1	0	0	0	109.9	W290 F310	W290-P294 HydrophobicContact CE3-CB 3.97Å; W290-P294 HydrophobicContact CH2-CB 4.46Å; W290-P294 HydrophobicContact CH2-CG 4.49Å; W290-P294 HydrophobicContact CZ3-CB 3.67Å; W290-P294 HydrophobicContact CZ3-CG 4.15Å; P294-F310 HydrophobicContact CB-CE1 3.69Å; P294-F310 HydrophobicContact CB-CE2 4.28Å; P294-F310 HydrophobicContact CB-CZ 3.47Å; P294-F310 VanDerWaalsContact CB-CZ 3.47Å; P294-F310 HydrophobicContact CG-CE1 4.33Å; P294-F310 HydrophobicContact CG-CE2 4.24Å; P294-F310 HydrophobicContact CG-CZ 3.91Å
295	V	94.4	Very high	78.6	Confident	17 Å²	17	67.3 Å²	67.3	10%	0.103	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-93.2	120.6	179.3	-178.8	0	0	0	0	110.1	K281 L288 M289 N291 G293 N313	K281-V295 HydrophobicContact CD-CG1 4.08Å; K281-V295 HydrophobicContact CG-CG1 4.07Å; L288-V295 HydrophobicContact CD2-CG1 4.49Å; L288-V295 HydrophobicContact CD2-CG2 3.99Å; L288-V295 HydrophobicContact CG-CG2 3.84Å; L288-V295 WeakPolarHBondContact O-CB 3.34Å; M289-V295 PolarHBondContact O-N 3.3Å; M289-V295 VanDerWaalsContact O-N 3.11Å; N291-V295 HydrophobicContact CB-CG2 3.94Å; G293-V295 PolarHBondContact O-N 3.08Å; V295-N313 HydrophobicContact CB-CB 4.26Å; V295-N313 HydrophobicContact CG1-CB 3.88Å; V295-N313 VanDerWaalsContact O-CB 3.25Å; V295-N313 WeakPolarHBondContact O-CB 3.31Å; V295-N313 PolarHBondContact O-N 3.49Å
296	S	90.3	Very high	76	Confident	18 Å²	18	69.8 Å²	69.8	13%	0.126	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-77.7	143.2	176	165.9	0	0	0	0	111.7	K281 E298 V311	K281-S296 PolarHBondContact NZ-O 3.21Å; S296-E298 VanDerWaalsContact C-N 3.32Å; S296-E298 PolarHBondContact OG-N 2.98Å; S296-E298 PolarHBondContact OG-O 3.23Å; S296-V311 WeakPolarHBondContact CA-O 3.37Å
297	R	83.6	Confident	73.4	Confident	95 Å²	95	79.6 Å²	79.6	36%	0.358	46%	0.461	S	S	.	.	S	Bend	trans	-67.8	-31.9	172.4	-144.5	-176	-139	173.9	12.3	112.2	V311 T314 H315	R297-V311 HydrophobicContact CB-CG1 4.16Å; R297-V311 PolarHBondContact N-O 2.86Å; R297-T314 PolarHBondContact NH2-O 3.22Å; R297-H315 PolarHBondContact NE-CD2 3.16Å; R297-H315 PolarHBondContact NE-CE1 3.36Å; R297-H315 PolarHBondContact NE-NE2 3.38Å; R297-H315 PolarHBondContact NH2-CD2 3.24Å; R297-H315 PolarHBondContact NH2-NE2 3.19Å
298	E	78.1	Confident	70.9	Confident	130 Å²	130	82.4 Å²	82.4	61%	0.607	49%	0.49	S	S	*	.	S	Bend	trans	-82	155.4	-178.6	-62.9	-177.9	176.2	0	0	111.8	K281 S296 G300	K281-E298 PolarHBondContact NZ-O 3.48Å; S296-E298 VanDerWaalsContact C-N 3.32Å; S296-E298 PolarHBondContact OG-N 2.98Å; S296-E298 PolarHBondContact OG-O 3.23Å; E298-G300 PolarHBondContact O-N 3.11Å
299	E	56.5	Low	69	Low	199 Å²	199	89.2 Å²	89.2	93%	0.93	53%	0.526	S	S	*	.	S	Bend	trans	-84.7	104.4	171	-70.5	-163.1	166.5	0	0	109.5
300	G	53.6	Low	67.8	Low	56 Å²	56	92.7 Å²	92.7	58%	0.577	54%	0.541	S	S	*	.	S	Bend	trans	163.6	152.4	178.6	0	0	0	0	0	111.6	E298	E298-G300 PolarHBondContact O-N 3.11Å
301	A	44.7	Very low	67.1	Low	96 Å²	96	93.7 Å²	93.7	79%	0.793	55%	0.551	S	S	*	*			trans	-64.1	136.6	171.1	0	0	0	0	0	108.9	D303	A301-D303 PolarHBondContact O-N 3.02Å; A301-D303 VanDerWaalsContact O-N 3.11Å
302	P	50.2	Low	66.6	Low	79 Å²	79	92 Å²	92	51%	0.513	54%	0.544	S	S	.	.			trans	-59.8	120.4	172.9	24	-30.2	0	0	0	108.1	L304 F310	P302-L304 PolarHBondContact O-N 3.31Å; P302-L304 VanDerWaalsContact O-N 3.07Å; P302-F310 HydrophobicContact CB-CD2 4.24Å; P302-F310 HydrophobicContact CB-CE2 4.41Å
303	D	44.3	Very low	66.6	Low	123 Å²	123	87.1 Å²	87.1	66%	0.658	52%	0.518	S	S	*	.			trans	-61.6	114	177.1	-165.6	-12.5	0	0	0	108.4	A301 S305	A301-D303 PolarHBondContact O-N 3.02Å; A301-D303 VanDerWaalsContact O-N 3.11Å; D303-S305 PolarHBondContact O-N 3.33Å; D303-S305 VanDerWaalsContact O-N 3.1Å; D303-S305 WeakPolarHBondContact OD1-CB 3.39Å; D303-S305 PolarHBondContact OD1-N 3.38Å; D303-S305 PolarHBondContact OD1-OG 3.3Å; D303-S305 PolarHBondContact OD2-OG 3.35Å
304	L	51.1	Low	66.5	Low	179 Å²	179	86.8 Å²	86.8	94%	0.937	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.3	-178.2	-70	169.1	0	0	0	112.2	P302	P302-L304 PolarHBondContact O-N 3.31Å; P302-L304 VanDerWaalsContact O-N 3.07Å
305	S	44.9	Very low	66.6	Low	99 Å²	99	85 Å²	85	69%	0.692	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	0.4	-173.6	69.8	0	0	0	0	115.8	D303	D303-S305 PolarHBondContact O-N 3.33Å; D303-S305 VanDerWaalsContact O-N 3.1Å; D303-S305 WeakPolarHBondContact OD1-CB 3.39Å; D303-S305 PolarHBondContact OD1-N 3.38Å; D303-S305 PolarHBondContact OD1-OG 3.3Å; D303-S305 PolarHBondContact OD2-OG 3.35Å
306	G	42.1	Very low	66.7	Low	53 Å²	53	84.3 Å²	84.3	55%	0.546	49%	0.493	S	S	.	.			trans	-169.7	122.8	173	0	0	0	0	0	114	G308	G306-G308 PolarHBondContact O-N 2.99Å
307	M	43.5	Very low	66.9	Low	206 Å²	206	83.5 Å²	83.5	100%	1.015	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	35.4	170.5	-74.2	-166	144.6	0	0	113.3
308	G	45.5	Very low	67.4	Low	58 Å²	58	80.7 Å²	80.7	60%	0.598	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-42.1	-170.2	0	0	0	0	0	114.4	G306	G306-G308 PolarHBondContact O-N 2.99Å
309	N	57.3	Low	68.1	Low	150 Å²	150	79.1 Å²	79.1	80%	0.802	48%	0.481	S	S	*	.			trans	-151	43.3	-170.3	-81.2	-27.9	0	0	0	113.7	V311	N309-V311 PolarHBondContact O-N 3.19Å; N309-V311 VanDerWaalsContact O-N 3.09Å
310	F	70.9	Confident	69.7	Low	84 Å²	84	71.6 Å²	71.6	37%	0.368	45%	0.448	S	S	.	.			trans	-70.1	109.3	171	-177	-91.7	0	0	0	110.2	P294 P302 T312	P294-F310 HydrophobicContact CB-CE1 3.69Å; P294-F310 HydrophobicContact CB-CE2 4.28Å; P294-F310 HydrophobicContact CB-CZ 3.47Å; P294-F310 VanDerWaalsContact CB-CZ 3.47Å; P294-F310 HydrophobicContact CG-CE1 4.33Å; P294-F310 HydrophobicContact CG-CE2 4.24Å; P294-F310 HydrophobicContact CG-CZ 3.91Å; P302-F310 HydrophobicContact CB-CD2 4.24Å; P302-F310 HydrophobicContact CB-CE2 4.41Å; F310-T312 HydrophobicContact CD1-CG2 4.21Å; F310-T312 HydrophobicContact CE1-CG2 3.77Å
311	V	80.4	Confident	71.6	Confident	57 Å²	57	71.2 Å²	71.2	35%	0.345	43%	0.433	S	S	.	.			trans	-96.4	112.7	175.8	-174.5	0	0	0	0	109.2	S296 R297 N309	S296-V311 WeakPolarHBondContact CA-O 3.37Å; R297-V311 HydrophobicContact CB-CG1 4.16Å; R297-V311 PolarHBondContact N-O 2.86Å; N309-V311 PolarHBondContact O-N 3.19Å; N309-V311 VanDerWaalsContact O-N 3.09Å
312	T	86.1	Confident	73.9	Confident	41 Å²	41	67.7 Å²	67.7	25%	0.252	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-58.4	141.8	176.2	48.8	0	0	0	0	110.9	F310 T314	F310-T312 HydrophobicContact CD1-CG2 4.21Å; F310-T312 HydrophobicContact CE1-CG2 3.77Å; T312-T314 PolarHBondContact O-N 3.36Å; T312-T314 PolarHBondContact OG1-OG1 3.44Å
313	N	93.4	Very high	76.1	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.027	40%	0.404	C	S	.	.	S	Bend	trans	-76	46.8	173.5	-179	53.5	0	0	0	111.7	K281 D287 L288 V295	K281-N313 PolarHBondContact O-ND2 3.23Å; D287-N313 WeakPolarHBondContact CB-O 3.41Å; L288-N313 PolarHBondContact O-ND2 3.28Å; V295-N313 HydrophobicContact CB-CB 4.26Å; V295-N313 HydrophobicContact CG1-CB 3.88Å; V295-N313 VanDerWaalsContact O-CB 3.25Å; V295-N313 WeakPolarHBondContact O-CB 3.31Å; V295-N313 PolarHBondContact O-N 3.49Å
314	T	93	Very high	78.4	Confident	10 Å²	10	70.5 Å²	70.5	6%	0.061	40%	0.397	C	S	.	.			trans	-115.1	137.2	-180	51.9	0	0	0	0	108.7	L130 D201 M289 R297 T312	L130-T314 HydrophobicContact CD2-CG2 3.65Å; D201-T314 VanDerWaalsContact OD2-CB 3.26Å; D201-T314 WeakPolarHBondContact OD2-CB 3.29Å; D201-T314 PolarHBondContact OD2-OG1 3.02Å; M289-T314 HydrophobicContact CB-CG2 3.84Å; R297-T314 PolarHBondContact NH2-O 3.22Å; T312-T314 PolarHBondContact O-N 3.36Å; T312-T314 PolarHBondContact OG1-OG1 3.44Å
315	H	94.9	Very high	80.5	Confident	30 Å²	30	62.8 Å²	62.8	14%	0.139	36%	0.356	C	S	.	.			trans	-125.3	28.5	177.6	-54.6	69.7	0	0	0	111	R132 D287 R297 G317 C318	R132-H315 HydrophobicContact CG-CB 4.25Å; R132-H315 VanDerWaalsContact CG-O 3.26Å; R132-H315 WeakPolarHBondContact CG-O 3.48Å; R132-H315 VanDerWaalsContact CZ-CB 3.45Å; R132-H315 PolarHBondContact NH2-CD2 3.18Å; R132-H315 PolarHBondContact NH2-ND1 3.44Å; D287-H315 IonicContact OD1-ND1 3.09Å; D287-H315 VanDerWaalsContact OD2-CB 3.29Å; D287-H315 WeakPolarHBondContact OD2-CB 3.4Å; D287-H315 IonicContact OD2-CG 2.71Å; D287-H315 PolarHBondContact OD2-N 2.67Å; D287-H315 VanDerWaalsContact OD2-N 3.1Å; D287-H315 IonicContact OD2-ND1 3.8Å; D287-H315 PolarHBondContact OD2-ND1 3.01Å; R297-H315 PolarHBondContact NE-CD2 3.16Å; R297-H315 PolarHBondContact NE-CE1 3.36Å; R297-H315 PolarHBondContact NE-NE2 3.38Å; R297-H315 PolarHBondContact NH2-CD2 3.24Å; R297-H315 PolarHBondContact NH2-NE2 3.19Å; H315-G317 PolarHBondContact O-N 2.76Å; H315-C318 HydrophobicContact CB-CB 4.04Å; H315-C318 WeakPolarHBondContact O-CA 3.39Å; H315-C318 WeakPolarHBondContact O-CB 3.42Å; H315-C318 PolarHBondContact O-N 3.05Å; H315-C318 PolarHBondContact O-SG 3.47Å; H315-C318 VanDerWaalsContact O-SG 3.41Å
316	L	96.3	Very high	82.9	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	120.2	-172.7	-176.7	67.7	0	0	0	112.2	V116 L130 Y131 L177 R181 F197 I200 F204 C318	V116-L316 HydrophobicContact CG1-CD1 3.59Å; V116-L316 HydrophobicContact CG1-CD2 4.26Å; V116-L316 HydrophobicContact CG2-CD1 4.3Å; V116-L316 HydrophobicContact CG2-CD2 4.34Å; L130-L316 HydrophobicContact CD1-CD1 4.22Å; L130-L316 HydrophobicContact CD2-CB 3.92Å; L130-L316 HydrophobicContact CD2-CD1 4.33Å; L130-L316 HydrophobicContact CD2-CD2 4.41Å; L130-L316 HydrophobicContact CD2-CG 4.44Å; L130-L316 HydrophobicContact CG-CD1 4.3Å; Y131-L316 WeakPolarHBondContact O-CD1 3.3Å; L177-L316 HydrophobicContact CD2-CD1 3.28Å; L177-L316 HydrophobicContact CD2-CD2 4.21Å; L177-L316 HydrophobicContact CD2-CG 3.5Å; R181-L316 PolarHBondContact NH1-O 2.93Å; F197-L316 HydrophobicContact CD1-CB 4.03Å; F197-L316 HydrophobicContact CD1-CD2 3.93Å; F197-L316 HydrophobicContact CD1-CG 4.01Å; F197-L316 WeakPolarHBondContact CD1-O 3.35Å; F197-L316 HydrophobicContact CE1-CB 4.37Å; F197-L316 HydrophobicContact CE1-CD2 4.14Å; F197-L316 HydrophobicContact CE1-CG 3.99Å; F197-L316 WeakPolarHBondContact CE1-O 3.41Å; I200-L316 HydrophobicContact CG2-CD2 3.83Å; F204-L316 HydrophobicContact CE2-CD2 4.05Å; F204-L316 HydrophobicContact CZ-CD2 4.46Å; L316-C318 PolarHBondContact O-N 3.15Å
317	G	94.9	Very high	85.5	Confident	2 Å²	2	64 Å²	64	2%	0.021	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	7.4	-176.6	0	0	0	0	0	115.1	R132 Q178 R181 H315	R132-G317 PolarHBondContact O-N 2.92Å; Q178-G317 VanDerWaalsContact CA-O 3.27Å; Q178-G317 WeakPolarHBondContact CA-O 3.36Å; R181-G317 WeakPolarHBondContact CD-O 3.49Å; H315-G317 PolarHBondContact O-N 2.76Å
318	C	94.2	Very high	87.8	Confident	36 Å²	36	59.4 Å²	59.4	24%	0.243	31%	0.306	C	S	.	.	S	Bend	trans	-77.9	175.3	165.1	-60.6	0	0	0	0	110.7	R181 H315 L316 N320	R181-C318 PolarHBondContact NH1-SG 2.86Å; H315-C318 HydrophobicContact CB-CB 4.04Å; H315-C318 WeakPolarHBondContact O-CA 3.39Å; H315-C318 WeakPolarHBondContact O-CB 3.42Å; H315-C318 PolarHBondContact O-N 3.05Å; H315-C318 PolarHBondContact O-SG 3.47Å; H315-C318 VanDerWaalsContact O-SG 3.41Å; L316-C318 PolarHBondContact O-N 3.15Å; C318-N320 PolarHBondContact O-N 3.2Å
319	V	92.9	Very high	90.1	Very high	96 Å²	96	57.6 Å²	57.6	58%	0.582	28%	0.283	S	S	*	.			trans	-54.6	126.5	173.8	177.9	0	0	0	0	110.4	R132 D321	R132-V319 WeakPolarHBondContact CD-O 3.4Å; R132-V319 PolarHBondContact NH1-O 3.32Å; V319-D321 PolarHBondContact O-N 2.85Å
320	N	89.8	Confident	91.8	Very high	41 Å²	41	52.4 Å²	52.4	22%	0.219	25%	0.253	C	S	.	.			trans	-89	104.5	178.6	-167.9	-17.4	0	0	0	111	C318 R322	C318-N320 PolarHBondContact O-N 3.2Å; N320-R322 WeakPolarHBondContact OD1-CB 3.38Å; N320-R322 PolarHBondContact OD1-N 2.91Å; N320-R322 VanDerWaalsContact OD1-N 3.08Å
321	D	92.8	Very high	92.8	Very high	49 Å²	49	52 Å²	52	26%	0.262	26%	0.26	S	S	.	.			trans	-96.1	20.6	179.7	65.3	-34.9	0	0	0	113.3	R132 R282 V319 K323 K324 Q325	R132-D321 IonicContact CZ-OD1 3.71Å; R132-D321 IonicContact NH1-OD1 3.79Å; R132-D321 PolarHBondContact NH1-OD1 3.46Å; R282-D321 IonicContact CZ-OD1 2.8Å; R282-D321 IonicContact CZ-OD2 3.9Å; R282-D321 IonicContact NH1-OD1 3.91Å; R282-D321 PolarHBondContact NH1-OD1 3.04Å; R282-D321 IonicContact NH1-OD2 3.43Å; R282-D321 PolarHBondContact NH1-OD2 2.85Å; R282-D321 IonicContact NH2-OD1 2.72Å; R282-D321 PolarHBondContact NH2-OD1 3.04Å; R282-D321 IonicContact NH2-OD2 2.71Å; V319-D321 PolarHBondContact O-N 2.85Å; D321-K323 VanDerWaalsContact C-N 3.25Å; D321-K323 PolarHBondContact O-N 2.9Å; D321-K324 PolarHBondContact O-N 3.34Å; D321-Q325 PolarHBondContact O-N 2.97Å
322	R	94.4	Very high	93.2	Very high	22 Å²	22	51.8 Å²	51.8	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-44.8	-45.1	-172.7	75.5	176.5	-74.6	-96.2	-5.1	114.2	C261 E264 D265 N320 K324 Q325 L326	C261-R322 PolarHBondContact SG-NH1 3.42Å; E264-R322 IonicContact OE1-NH2 3.97Å; E264-R322 IonicContact OE2-CZ 2.83Å; E264-R322 IonicContact OE2-NH1 3.83Å; E264-R322 PolarHBondContact OE2-NH1 3.09Å; E264-R322 IonicContact OE2-NH2 3.69Å; E264-R322 PolarHBondContact OE2-NH2 2.87Å; D265-R322 IonicContact OD1-CZ 3.04Å; D265-R322 IonicContact OD1-NE 3.99Å; D265-R322 PolarHBondContact OD1-NE 3.28Å; D265-R322 VanDerWaalsContact OD1-NE 3.09Å; D265-R322 IonicContact OD1-NH2 2.64Å; D265-R322 PolarHBondContact OD1-NH2 3.28Å; D265-R322 IonicContact OD2-CZ 2.93Å; D265-R322 IonicContact OD2-NE 2.78Å; D265-R322 PolarHBondContact OD2-NE 2.78Å; D265-R322 IonicContact OD2-NH2 2.79Å; N320-R322 WeakPolarHBondContact OD1-CB 3.38Å; N320-R322 PolarHBondContact OD1-N 2.91Å; N320-R322 VanDerWaalsContact OD1-N 3.08Å; R322-K324 PolarHBondContact O-N 3.49Å; R322-Q325 PolarHBondContact O-N 3.25Å; R322-L326 WeakPolarHBondContact O-CB 3.41Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 2.95Å
323	K	94.5	Very high	93.4	Very high	141 Å²	141	50.9 Å²	50.9	61%	0.613	25%	0.254	S	S	*	.	H	α-helix	trans	-65.6	-39.6	-176.3	-68.7	-174.9	179.7	178.4	0	111.6	D321 R327	D321-K323 VanDerWaalsContact C-N 3.25Å; D321-K323 PolarHBondContact O-N 2.9Å; K323-R327 WeakPolarHBondContact O-CG 3.45Å; K323-R327 PolarHBondContact O-N 3.25Å; K323-R327 PolarHBondContact O-NE 2.88Å
324	K	94.6	Very high	93.1	Very high	119 Å²	119	56.6 Å²	56.6	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-70.8	-44.7	176.5	-175.6	-178.1	176.3	-175.4	0	109.8	D321 R322 R327 Q328	D321-K324 PolarHBondContact O-N 3.34Å; R322-K324 PolarHBondContact O-N 3.49Å; K324-R327 PolarHBondContact O-N 3.33Å; K324-Q328 WeakPolarHBondContact O-CG 3.26Å; K324-Q328 PolarHBondContact O-N 2.96Å
325	Q	95.1	Very high	92.8	Very high	18 Å²	18	60.8 Å²	60.8	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-49.8	-179.3	-170	-77.7	-23.3	0	0	112.1	R282 D321 R322 R327 Q328 L329	R282-Q325 HydrophobicContact CB-CG 4.44Å; R282-Q325 PolarHBondContact O-NE2 2.8Å; D321-Q325 PolarHBondContact O-N 2.97Å; R322-Q325 PolarHBondContact O-N 3.25Å; Q325-R327 PolarHBondContact O-N 3.43Å; Q325-Q328 PolarHBondContact O-N 3.24Å; Q325-L329 WeakPolarHBondContact O-CB 3.35Å; Q325-L329 PolarHBondContact O-N 2.98Å
326	L	95.3	Very high	92.2	Very high	16 Å²	16	64.6 Å²	64.6	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-42.2	179.8	-72.2	168.9	0	0	0	112	H268 V283 R322 Q328 L329 F330	H268-L326 HydrophobicContact CB-CD2 4.48Å; V283-L326 HydrophobicContact CG1-CD2 4.4Å; R322-L326 WeakPolarHBondContact O-CB 3.41Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 2.95Å; L326-Q328 VanDerWaalsContact C-N 3.35Å; L326-Q328 PolarHBondContact O-N 2.92Å; L326-L329 PolarHBondContact O-N 3.44Å; L326-F330 HydrophobicContact CB-CD2 4.45Å; L326-F330 HydrophobicContact CB-CE2 4.45Å; L326-F330 HydrophobicContact CD2-CE2 3.88Å; L326-F330 VanDerWaalsContact O-CD2 3.28Å; L326-F330 WeakPolarHBondContact O-CD2 3.41Å; L326-F330 PolarHBondContact O-N 3.03Å
327	R	95.1	Very high	91.4	Very high	160 Å²	160	71.8 Å²	71.8	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-59.5	-46.9	175.8	-77.4	-170.7	-63	-110.1	4	111.3	K323 K324 Q325 C331	K323-R327 WeakPolarHBondContact O-CG 3.45Å; K323-R327 PolarHBondContact O-N 3.25Å; K323-R327 PolarHBondContact O-NE 2.88Å; K324-R327 PolarHBondContact O-N 3.33Å; Q325-R327 PolarHBondContact O-N 3.43Å; R327-C331 VanDerWaalsContact O-CB 3.24Å; R327-C331 WeakPolarHBondContact O-CB 3.43Å; R327-C331 PolarHBondContact O-N 3.21Å; R327-C331 PolarHBondContact O-SG 3.39Å
328	Q	93.4	Very high	90.6	Very high	111 Å²	111	79.6 Å²	79.6	52%	0.519	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-44.4	178.9	-72	175.2	-35.8	0	0	111.6	K324 Q325 L326 S332	K324-Q328 WeakPolarHBondContact O-CG 3.26Å; K324-Q328 PolarHBondContact O-N 2.96Å; Q325-Q328 PolarHBondContact O-N 3.24Å; L326-Q328 VanDerWaalsContact C-N 3.35Å; L326-Q328 PolarHBondContact O-N 2.92Å; Q328-S332 WeakPolarHBondContact O-CB 3.33Å; Q328-S332 PolarHBondContact O-N 2.73Å; Q328-S332 PolarHBondContact O-OG 3.27Å
329	L	93.3	Very high	89.7	Confident	20 Å²	20	82 Å²	82	11%	0.105	41%	0.411	C	S	.	.	H	α-helix	trans	-58	-58.2	178.6	178.7	61.2	0	0	0	111	L276 E280 V283 Q325 L326 C331 S332 L333	L276-L329 HydrophobicContact CD2-CD2 3.96Å; L276-L329 HydrophobicContact CD2-CG 4.49Å; E280-L329 HydrophobicContact CG-CD1 3.88Å; V283-L329 HydrophobicContact CG1-CD2 4.33Å; V283-L329 HydrophobicContact CG2-CD2 4.25Å; Q325-L329 WeakPolarHBondContact O-CB 3.35Å; Q325-L329 PolarHBondContact O-N 2.98Å; L326-L329 PolarHBondContact O-N 3.44Å; L329-C331 PolarHBondContact O-N 3Å; L329-S332 PolarHBondContact O-N 3.33Å; L329-S332 VanDerWaalsContact O-N 3.15Å; L329-S332 PolarHBondContact O-OG 3.28Å; L329-L333 HydrophobicContact CD1-CD1 3.96Å; L329-L333 HydrophobicContact CD1-CG 4.35Å; L329-L333 HydrophobicContact CG-CD1 3.97Å; L329-L333 WeakPolarHBondContact O-CG 3.27Å; L329-L333 PolarHBondContact O-N 3.39Å
330	F	92.6	Very high	88.6	Confident	40 Å²	40	82.1 Å²	82.1	18%	0.175	42%	0.417	C	S	.	.	H	α-helix	trans	-69.7	-32.5	-175.8	-67.9	-55.8	0	0	0	113.7	H268 R275 L276 L326 S332 L333 Q334	H268-F330 AromaticContact CD2-CE2 3.84Å; H268-F330 AromaticContact CD2-CZ 3.68Å; H268-F330 AromaticContact NE2-CE2 3.93Å; R275-F330 HydrophobicContact CB-CE1 4.42Å; L276-F330 HydrophobicContact CD2-CE1 4.38Å; L326-F330 HydrophobicContact CB-CD2 4.45Å; L326-F330 HydrophobicContact CB-CE2 4.45Å; L326-F330 HydrophobicContact CD2-CE2 3.88Å; L326-F330 VanDerWaalsContact O-CD2 3.28Å; L326-F330 WeakPolarHBondContact O-CD2 3.41Å; L326-F330 PolarHBondContact O-N 3.03Å; F330-S332 VanDerWaalsContact C-N 3.34Å; F330-L333 HydrophobicContact CD1-CD1 3.95Å; F330-L333 HydrophobicContact CE1-CD1 4.34Å; F330-L333 PolarHBondContact O-N 3.38Å; F330-Q334 VanDerWaalsContact O-CG 3.31Å; F330-Q334 WeakPolarHBondContact O-CG 3.37Å; F330-Q334 PolarHBondContact O-N 3Å
331	C	91.8	Very high	87.2	Confident	77 Å²	77	87.1 Å²	87.1	52%	0.52	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-44.4	170.5	-75.9	0	0	0	0	111.3	R327 L329 Q334 V335	R327-C331 VanDerWaalsContact O-CB 3.24Å; R327-C331 WeakPolarHBondContact O-CB 3.43Å; R327-C331 PolarHBondContact O-N 3.21Å; R327-C331 PolarHBondContact O-SG 3.39Å; L329-C331 PolarHBondContact O-N 3Å; C331-Q334 PolarHBondContact O-N 3.16Å; C331-V335 WeakPolarHBondContact O-CG2 3.48Å; C331-V335 PolarHBondContact O-N 3.17Å; C331-V335 VanDerWaalsContact O-N 3.12Å
332	S	89.4	Confident	86.9	Confident	51 Å²	51	89 Å²	89	36%	0.357	46%	0.464	S	S	.	.	H	α-helix	trans	-64.3	-41.8	179.8	72	0	0	0	0	112.5	Q328 L329 F330 Q334 V335 Q336	Q328-S332 WeakPolarHBondContact O-CB 3.33Å; Q328-S332 PolarHBondContact O-N 2.73Å; Q328-S332 PolarHBondContact O-OG 3.27Å; L329-S332 PolarHBondContact O-N 3.33Å; L329-S332 VanDerWaalsContact O-N 3.15Å; L329-S332 PolarHBondContact O-OG 3.28Å; F330-S332 VanDerWaalsContact C-N 3.34Å; S332-Q334 PolarHBondContact O-N 2.86Å; S332-V335 PolarHBondContact O-N 3.08Å; S332-Q336 WeakPolarHBondContact O-CG 3.28Å; S332-Q336 PolarHBondContact O-N 3.19Å
333	L	89.1	Confident	86.5	Confident	22 Å²	22	92.5 Å²	92.5	12%	0.115	48%	0.484	C	S	.	.	H	α-helix	trans	-64.8	-38.7	178.3	-67.2	168.1	0	0	0	111.9	R275 L276 T277 L329 F330 Q336 K337	R275-L333 WeakPolarHBondContact O-CD1 3.24Å; L276-L333 HydrophobicContact CD2-CD1 3.95Å; T277-L333 HydrophobicContact CG2-CD2 3.65Å; L329-L333 HydrophobicContact CD1-CD1 3.96Å; L329-L333 HydrophobicContact CD1-CG 4.35Å; L329-L333 HydrophobicContact CG-CD1 3.97Å; L329-L333 WeakPolarHBondContact O-CG 3.27Å; L329-L333 PolarHBondContact O-N 3.39Å; F330-L333 HydrophobicContact CD1-CD1 3.95Å; F330-L333 HydrophobicContact CE1-CD1 4.34Å; F330-L333 PolarHBondContact O-N 3.38Å; L333-Q336 PolarHBondContact O-N 2.9Å; L333-K337 WeakPolarHBondContact O-CB 3.37Å; L333-K337 PolarHBondContact O-N 3.36Å
334	Q	87.8	Confident	86.1	Confident	126 Å²	126	89.8 Å²	89.8	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-64.9	-40.3	174.8	-74.5	179.3	-2.5	0	0	112.4	F330 C331 S332 K338	F330-Q334 VanDerWaalsContact O-CG 3.31Å; F330-Q334 WeakPolarHBondContact O-CG 3.37Å; F330-Q334 PolarHBondContact O-N 3Å; C331-Q334 PolarHBondContact O-N 3.16Å; S332-Q334 PolarHBondContact O-N 2.86Å; Q334-K338 WeakPolarHBondContact O-CG 3.29Å; Q334-K338 PolarHBondContact O-N 2.94Å; Q334-K338 VanDerWaalsContact O-N 3.12Å
335	V	87	Confident	85.6	Confident	98 Å²	98	88.1 Å²	88.1	59%	0.594	48%	0.475	S	S	*	.	H	α-helix	trans	-65.3	-44.5	176.5	172.1	0	0	0	0	110.7	C331 S332 K337 K338 A339	C331-V335 WeakPolarHBondContact O-CG2 3.48Å; C331-V335 PolarHBondContact O-N 3.17Å; C331-V335 VanDerWaalsContact O-N 3.12Å; S332-V335 PolarHBondContact O-N 3.08Å; V335-K337 PolarHBondContact O-N 3.01Å; V335-K338 PolarHBondContact O-N 3.16Å; V335-A339 PolarHBondContact O-N 3.13Å
336	Q	81.5	Confident	85	Confident	109 Å²	109	92.5 Å²	92.5	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-44.6	177.1	-73.3	178.3	-8.1	0	0	112	S332 L333 K338 A339 S340	S332-Q336 WeakPolarHBondContact O-CG 3.28Å; S332-Q336 PolarHBondContact O-N 3.19Å; L333-Q336 PolarHBondContact O-N 2.9Å; Q336-K338 VanDerWaalsContact C-N 3.31Å; Q336-K338 PolarHBondContact O-N 3.22Å; Q336-A339 PolarHBondContact O-N 3.24Å; Q336-A339 VanDerWaalsContact O-N 3.1Å; Q336-S340 PolarHBondContact O-N 3.02Å; Q336-S340 PolarHBondContact O-OG 2.94Å; Q336-S340 VanDerWaalsContact O-OG 3.09Å
337	K	80.7	Confident	84.3	Confident	154 Å²	154	97.6 Å²	97.6	67%	0.67	53%	0.527	S	S	*	.	H	α-helix	trans	-59.6	-41.5	177.6	-169.2	172	-178.3	172.6	0	112.1	L333 V335 S340 S341	L333-K337 WeakPolarHBondContact O-CB 3.37Å; L333-K337 PolarHBondContact O-N 3.36Å; V335-K337 PolarHBondContact O-N 3.01Å; K337-S340 WeakPolarHBondContact CA-OG 3.25Å; K337-S340 PolarHBondContact O-N 3.13Å; K337-S340 PolarHBondContact O-OG 3.02Å; K337-S341 PolarHBondContact O-N 2.92Å; K337-S341 PolarHBondContact O-OG 3.33Å
338	K	78.3	Confident	83.6	Confident	165 Å²	165	93.1 Å²	93.1	72%	0.717	52%	0.521	S	S	*	.	H	α-helix	trans	-67.4	-32.2	174.8	-74.8	-178.9	-179.3	-176.7	0	113.5	Q334 V335 Q336	Q334-K338 WeakPolarHBondContact O-CG 3.29Å; Q334-K338 PolarHBondContact O-N 2.94Å; Q334-K338 VanDerWaalsContact O-N 3.12Å; V335-K338 PolarHBondContact O-N 3.16Å; Q336-K338 VanDerWaalsContact C-N 3.31Å; Q336-K338 PolarHBondContact O-N 3.22Å
339	A	73.7	Confident	82.8	Confident	87 Å²	87	91.8 Å²	91.8	72%	0.719	52%	0.521	S	S	*	.	H	α-helix	trans	-77.1	-23.8	177.1	0	0	0	0	0	112.9	V335 Q336	V335-A339 PolarHBondContact O-N 3.13Å; Q336-A339 PolarHBondContact O-N 3.24Å; Q336-A339 VanDerWaalsContact O-N 3.1Å
340	S	71.4	Confident	81.9	Confident	99 Å²	99	97.8 Å²	97.8	69%	0.692	56%	0.556	S	S	*	*			trans	-92.3	-8	177.1	58.9	0	0	0	0	114.9	Q336 K337	Q336-S340 PolarHBondContact O-N 3.02Å; Q336-S340 PolarHBondContact O-OG 2.94Å; Q336-S340 VanDerWaalsContact O-OG 3.09Å; K337-S340 WeakPolarHBondContact CA-OG 3.25Å; K337-S340 PolarHBondContact O-N 3.13Å; K337-S340 PolarHBondContact O-OG 3.02Å
341	S	59.8	Low	81	Confident	145 Å²	145	103 Å²	103	100%	1.014	59%	0.591	S	S	*	*			trans	-99.6	0	174	-53.2	0	0	0	0	109.4	K337	K337-S341 PolarHBondContact O-N 2.92Å; K337-S341 PolarHBondContact O-OG 3.33Å

Retrieved 341 of 341 residues in 256.6 ms (Link to these results)

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