A0A3Q0KT34_SCHMA Loading...

Putative gtp-binding protein alpha subunit

AlphaFold DB , UniProt , Accession A0A3Q0KT34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	46	Very low	239 Å²	239	159.5 Å²	159.5	100%	1.177	86%	0.864	S	S	*	*				0	104.4	0	-72.5	179.5	176.9	0	0	107.3
2	N	39.4	Very low	46.5	Very low	162 Å²	162	150.2 Å²	150.2	87%	0.866	83%	0.833	S	S	*	*			trans	-85.2	121.3	177.9	-73.8	-21.5	0	0	0	108.9
3	F	41.2	Very low	47.1	Very low	207 Å²	207	146.1 Å²	146.1	91%	0.908	82%	0.821	S	S	*	*			trans	-130.8	94.7	163.3	-103.2	-84.7	0	0	0	108.2
4	T	42.7	Very low	47.5	Very low	137 Å²	137	145.9 Å²	145.9	84%	0.84	81%	0.81	S	S	*	*			trans	-83.5	113.3	165.7	41.8	0	0	0	0	108.6	S6	T4-S6 PolarHBondContact O-N 3.12Å
5	C	43.9	Very low	48	Very low	127 Å²	127	144.3 Å²	144.3	86%	0.858	79%	0.794	S	S	*	*			trans	-82.1	108.2	171.5	-172.5	0	0	0	0	109.8
6	S	47	Very low	48.8	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	78%	0.778	S	S	*	*			trans	-76.5	124.8	160.1	159.7	0	0	0	0	108.7	T4	T4-S6 PolarHBondContact O-N 3.12Å
7	M	50.2	Low	49.7	Very low	171 Å²	171	137.6 Å²	137.6	84%	0.842	76%	0.763	S	S	*	*			trans	164.2	114.4	141.6	-95.1	-163.7	174.4	0	0	110.6
8	C	49.2	Very low	50.8	Low	132 Å²	132	136.3 Å²	136.3	89%	0.892	75%	0.75	S	S	*	*			trans	-177.3	67.5	134.3	-97.2	0	0	0	0	109.4	K10	C8-K10 PolarHBondContact O-N 3.43Å
9	F	49.6	Very low	52	Low	218 Å²	218	135.4 Å²	135.4	96%	0.956	74%	0.738	S	S	*	*			trans	-81.3	86	169.6	-142.5	-93.6	0	0	0	107.6
10	K	52.7	Low	53.4	Low	204 Å²	204	133.9 Å²	133.9	89%	0.887	73%	0.726	S	S	*	*			trans	-152.9	13.5	177	-109.7	176.7	-171.8	-176.4	0	116.3	C8	C8-K10 PolarHBondContact O-N 3.43Å
11	G	48.3	Very low	54.7	Low	53 Å²	53	131 Å²	131	55%	0.546	71%	0.713	S	S	.	*			trans	-107.9	7	-177.2	0	0	0	0	0	117.1
12	G	52	Low	56.7	Low	47 Å²	47	127.9 Å²	127.9	49%	0.485	69%	0.688	S	S	.	*	H	α-helix	trans	-84.8	-31.5	-169.8	0	0	0	0	0	116.2
13	S	54.4	Low	58.9	Low	97 Å²	97	127.1 Å²	127.1	68%	0.678	68%	0.676	S	S	*	*	H	α-helix	trans	-77	-30.2	-172.2	50.7	0	0	0	0	114.2	S17	S13-S17 PolarHBondContact O-N 3.07Å
14	E	53.8	Low	61.1	Low	144 Å²	144	122.7 Å²	122.7	67%	0.673	66%	0.657	S	S	*	*	H	α-helix	trans	-71.7	-36.2	177.2	-79	-177.5	149.8	0	0	112.5	D16 S17 Q18	E14-D16 VanDerWaalsContact C-N 3.35Å; E14-D16 PolarHBondContact O-N 3.38Å; E14-S17 PolarHBondContact O-N 3.5Å; E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 WeakPolarHBondContact O-CG 3.38Å; E14-Q18 PolarHBondContact O-N 3.48Å
15	Q	55.1	Low	63.3	Low	122 Å²	122	120.2 Å²	120.2	57%	0.57	64%	0.642	S	S	*	*	H	α-helix	trans	-68.4	-34.2	179.5	-67.2	-169.5	2.5	0	0	112.4	K19	Q15-K19 WeakPolarHBondContact O-CB 3.34Å; Q15-K19 WeakPolarHBondContact O-CG 3.44Å; Q15-K19 PolarHBondContact O-N 3.03Å
16	D	59.9	Low	65.5	Low	100 Å²	100	118.9 Å²	118.9	54%	0.535	63%	0.626	S	S	.	*	H	α-helix	trans	-75.3	-39.1	177.7	-74	-25.1	0	0	0	112.1	E14 Q18 K19 E20	E14-D16 VanDerWaalsContact C-N 3.35Å; E14-D16 PolarHBondContact O-N 3.38Å; D16-Q18 PolarHBondContact O-N 3.01Å; D16-K19 PolarHBondContact O-N 3.29Å; D16-E20 PolarHBondContact O-N 2.93Å
17	S	63.8	Low	67.6	Low	74 Å²	74	121.3 Å²	121.3	52%	0.517	62%	0.623	S	S	.	*	H	α-helix	trans	-62.6	-41	172.2	-175.2	0	0	0	0	112.2	S13 E14 E20 T21	S13-S17 PolarHBondContact O-N 3.07Å; E14-S17 PolarHBondContact O-N 3.5Å; S17-E20 PolarHBondContact O-N 3.05Å; S17-T21 WeakPolarHBondContact O-CB 3.35Å; S17-T21 PolarHBondContact O-N 2.64Å; S17-T21 PolarHBondContact O-OG1 3.32Å
18	Q	69.3	Low	69.6	Low	114 Å²	114	118 Å²	118	53%	0.533	61%	0.608	S	S	.	*	H	α-helix	trans	-65.8	-39.7	174	-75.5	179.4	4.6	0	0	112.6	E14 D16 T21 R22	E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 WeakPolarHBondContact O-CG 3.38Å; E14-Q18 PolarHBondContact O-N 3.48Å; D16-Q18 PolarHBondContact O-N 3.01Å; Q18-T21 PolarHBondContact O-N 3.02Å; Q18-R22 WeakPolarHBondContact O-CB 3.36Å; Q18-R22 WeakPolarHBondContact O-CG 3.39Å; Q18-R22 PolarHBondContact O-N 3.11Å
19	K	74.9	Confident	71.6	Confident	119 Å²	119	114.3 Å²	114.3	52%	0.517	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-40.6	174.8	-81.1	174.2	-175.4	166.8	0	112.1	Q15 D16 R22 K23	Q15-K19 WeakPolarHBondContact O-CB 3.34Å; Q15-K19 WeakPolarHBondContact O-CG 3.44Å; Q15-K19 PolarHBondContact O-N 3.03Å; D16-K19 PolarHBondContact O-N 3.29Å; K19-R22 PolarHBondContact O-N 3.48Å; K19-K23 WeakPolarHBondContact O-CG 3.49Å; K19-K23 PolarHBondContact O-N 3.37Å
20	E	78.6	Confident	73.7	Confident	106 Å²	106	109.1 Å²	109.1	50%	0.495	56%	0.562	S	S	.	*	H	α-helix	trans	-68.2	-40.6	177.4	-162.5	-178.7	144.2	0	0	111.7	D16 S17 R22 K23 K24	D16-E20 PolarHBondContact O-N 2.93Å; S17-E20 PolarHBondContact O-N 3.05Å; E20-R22 PolarHBondContact O-N 3.11Å; E20-K23 WeakPolarHBondContact O-CB 3.48Å; E20-K23 PolarHBondContact O-N 3.47Å; E20-K24 WeakPolarHBondContact O-CG 3.49Å; E20-K24 PolarHBondContact O-N 3.46Å; E20-K24 VanDerWaalsContact OE1-CE 3.26Å; E20-K24 WeakPolarHBondContact OE1-CE 3.5Å; E20-K24 IonicContact OE1-NZ 2.88Å; E20-K24 PolarHBondContact OE1-NZ 3.49Å
21	T	81.8	Confident	75.6	Confident	74 Å²	74	106.1 Å²	106.1	45%	0.454	55%	0.549	S	S	.	.	H	α-helix	trans	-60.4	-45.3	173.7	-54.5	0	0	0	0	111.2	S17 Q18 K23 K24 V25	S17-T21 WeakPolarHBondContact O-CB 3.35Å; S17-T21 PolarHBondContact O-N 2.64Å; S17-T21 PolarHBondContact O-OG1 3.32Å; Q18-T21 PolarHBondContact O-N 3.02Å; T21-K23 VanDerWaalsContact C-N 3.35Å; T21-K23 PolarHBondContact O-N 3.36Å; T21-K24 PolarHBondContact O-N 3.17Å; T21-K24 VanDerWaalsContact O-N 3.14Å; T21-V25 WeakPolarHBondContact O-CG2 3.25Å; T21-V25 PolarHBondContact O-N 3Å
22	R	83	Confident	77.7	Confident	173 Å²	173	107.3 Å²	107.3	65%	0.653	54%	0.542	S	S	*	.	H	α-helix	trans	-59.7	-40.4	173.2	-76.3	178	-177.8	-174.2	2.3	112.8	Q18 K19 E20 K24 V25 N26	Q18-R22 WeakPolarHBondContact O-CB 3.36Å; Q18-R22 WeakPolarHBondContact O-CG 3.39Å; Q18-R22 PolarHBondContact O-N 3.11Å; K19-R22 PolarHBondContact O-N 3.48Å; E20-R22 PolarHBondContact O-N 3.11Å; R22-K24 VanDerWaalsContact C-N 3.35Å; R22-V25 PolarHBondContact O-N 3.15Å; R22-N26 WeakPolarHBondContact O-CB 3.41Å; R22-N26 VanDerWaalsContact O-CG 3.23Å; R22-N26 PolarHBondContact O-N 3.29Å
23	K	85.4	Confident	79.6	Confident	145 Å²	145	109.4 Å²	109.4	63%	0.63	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-38.7	174.7	-74.6	177.1	-178.9	177.4	0	111.9	K19 E20 T21 K27	K19-K23 WeakPolarHBondContact O-CG 3.49Å; K19-K23 PolarHBondContact O-N 3.37Å; E20-K23 WeakPolarHBondContact O-CB 3.48Å; E20-K23 PolarHBondContact O-N 3.47Å; T21-K23 VanDerWaalsContact C-N 3.35Å; T21-K23 PolarHBondContact O-N 3.36Å; K23-K27 WeakPolarHBondContact O-CG 3.38Å; K23-K27 PolarHBondContact O-N 3.21Å; K23-K27 VanDerWaalsContact O-N 3.08Å
24	K	87.6	Confident	81.4	Confident	115 Å²	115	113.4 Å²	113.4	50%	0.5	54%	0.542	S	S	.	.	H	α-helix	trans	-66.1	-47.4	175.4	-71.7	174	-175.4	163.5	0	111.4	E20 T21 R22 N26 K27 I28	E20-K24 WeakPolarHBondContact O-CG 3.49Å; E20-K24 PolarHBondContact O-N 3.46Å; E20-K24 VanDerWaalsContact OE1-CE 3.26Å; E20-K24 WeakPolarHBondContact OE1-CE 3.5Å; E20-K24 IonicContact OE1-NZ 2.88Å; E20-K24 PolarHBondContact OE1-NZ 3.49Å; T21-K24 PolarHBondContact O-N 3.17Å; T21-K24 VanDerWaalsContact O-N 3.14Å; R22-K24 VanDerWaalsContact C-N 3.35Å; K24-N26 PolarHBondContact O-N 2.98Å; K24-K27 PolarHBondContact O-N 3.27Å; K24-I28 WeakPolarHBondContact O-CG1 3.38Å; K24-I28 PolarHBondContact O-N 2.99Å
25	V	89.4	Confident	83.1	Confident	85 Å²	85	111.1 Å²	111.1	52%	0.515	53%	0.532	S	S	.	.	H	α-helix	trans	-58.7	-45.1	175.5	173.4	0	0	0	0	111.3	T21 R22 K27 I28 S29	T21-V25 WeakPolarHBondContact O-CG2 3.25Å; T21-V25 PolarHBondContact O-N 3Å; R22-V25 PolarHBondContact O-N 3.15Å; V25-K27 PolarHBondContact O-N 3.5Å; V25-I28 PolarHBondContact O-N 2.75Å; V25-S29 WeakPolarHBondContact O-CB 3.41Å; V25-S29 PolarHBondContact O-N 2.94Å
26	N	89.7	Confident	84.8	Confident	98 Å²	98	108.8 Å²	108.8	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-38.1	177.7	-73.3	-9.3	0	0	0	112.7	R22 K24 Q30	R22-N26 WeakPolarHBondContact O-CB 3.41Å; R22-N26 VanDerWaalsContact O-CG 3.23Å; R22-N26 PolarHBondContact O-N 3.29Å; K24-N26 PolarHBondContact O-N 2.98Å; N26-Q30 WeakPolarHBondContact O-CB 3.41Å; N26-Q30 VanDerWaalsContact O-CG 3.25Å; N26-Q30 WeakPolarHBondContact O-CG 3.33Å; N26-Q30 PolarHBondContact O-N 3.41Å
27	K	90.9	Very high	86.1	Confident	156 Å²	156	106.7 Å²	106.7	68%	0.678	52%	0.515	S	S	*	.	H	α-helix	trans	-65.3	-39.2	174.3	-76.9	179.8	179.1	-177.5	0	112	K23 K24 V25 K31	K23-K27 WeakPolarHBondContact O-CG 3.38Å; K23-K27 PolarHBondContact O-N 3.21Å; K23-K27 VanDerWaalsContact O-N 3.08Å; K24-K27 PolarHBondContact O-N 3.27Å; V25-K27 PolarHBondContact O-N 3.5Å; K27-K31 PolarHBondContact O-N 2.92Å; K27-K31 VanDerWaalsContact O-N 3.11Å
28	I	91.5	Very high	87.2	Confident	103 Å²	103	106.8 Å²	106.8	53%	0.528	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-48.2	176.1	-66.1	166.6	0	0	0	110.1	K24 V25 Q30 K31 I32	K24-I28 WeakPolarHBondContact O-CG1 3.38Å; K24-I28 PolarHBondContact O-N 2.99Å; V25-I28 PolarHBondContact O-N 2.75Å; I28-Q30 VanDerWaalsContact C-N 3.35Å; I28-Q30 PolarHBondContact O-N 3.46Å; I28-K31 WeakPolarHBondContact O-CA 3.38Å; I28-K31 WeakPolarHBondContact O-CB 3.43Å; I28-K31 PolarHBondContact O-N 3.19Å; I28-I32 HydrophobicContact CG2-CD1 3.78Å; I28-I32 HydrophobicContact CG2-CG1 4.38Å; I28-I32 WeakPolarHBondContact O-CG1 3.45Å; I28-I32 PolarHBondContact O-N 3.46Å
29	S	92.3	Very high	87.8	Confident	54 Å²	54	108.5 Å²	108.5	38%	0.378	52%	0.516	S	S	.	.	H	α-helix	trans	-55.2	-48.6	175.9	-168.3	0	0	0	0	111.4	V25 K31 I32 D33	V25-S29 WeakPolarHBondContact O-CB 3.41Å; V25-S29 PolarHBondContact O-N 2.94Å; S29-K31 VanDerWaalsContact C-N 3.27Å; S29-K31 PolarHBondContact O-N 3.28Å; S29-I32 PolarHBondContact O-N 2.93Å; S29-I32 VanDerWaalsContact O-N 3.13Å; S29-D33 VanDerWaalsContact O-CG 3.25Å; S29-D33 PolarHBondContact O-N 3.5Å; S29-D33 VanDerWaalsContact O-OD2 3.13Å
30	Q	92.6	Very high	88.2	Confident	108 Å²	108	109.3 Å²	109.3	51%	0.505	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-33.6	176.8	-74.2	177	10.9	0	0	113.1	N26 I28 R34	N26-Q30 WeakPolarHBondContact O-CB 3.41Å; N26-Q30 VanDerWaalsContact O-CG 3.25Å; N26-Q30 WeakPolarHBondContact O-CG 3.33Å; N26-Q30 PolarHBondContact O-N 3.41Å; I28-Q30 VanDerWaalsContact C-N 3.35Å; I28-Q30 PolarHBondContact O-N 3.46Å; Q30-R34 WeakPolarHBondContact O-CB 3.23Å; Q30-R34 WeakPolarHBondContact O-CG 3.36Å; Q30-R34 PolarHBondContact O-N 3.47Å; Q30-R34 VanDerWaalsContact O-N 3.12Å
31	K	92.7	Very high	88.2	Confident	141 Å²	141	111.2 Å²	111.2	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-69.8	-42.1	175.2	-171.9	-179.9	178	-176.1	0	111.2	K27 I28 S29 R34 Q35	K27-K31 PolarHBondContact O-N 2.92Å; K27-K31 VanDerWaalsContact O-N 3.11Å; I28-K31 WeakPolarHBondContact O-CA 3.38Å; I28-K31 WeakPolarHBondContact O-CB 3.43Å; I28-K31 PolarHBondContact O-N 3.19Å; S29-K31 VanDerWaalsContact C-N 3.27Å; S29-K31 PolarHBondContact O-N 3.28Å; K31-R34 PolarHBondContact O-N 2.94Å; K31-Q35 WeakPolarHBondContact O-CG 3.49Å; K31-Q35 PolarHBondContact O-N 3Å
32	I	92.3	Very high	87.9	Confident	79 Å²	79	111.8 Å²	111.8	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-47.1	175.8	-66.5	168.6	0	0	0	110.1	I28 S29 R34 Q35 I36	I28-I32 HydrophobicContact CG2-CD1 3.78Å; I28-I32 HydrophobicContact CG2-CG1 4.38Å; I28-I32 WeakPolarHBondContact O-CG1 3.45Å; I28-I32 PolarHBondContact O-N 3.46Å; S29-I32 PolarHBondContact O-N 2.93Å; S29-I32 VanDerWaalsContact O-N 3.13Å; I32-R34 VanDerWaalsContact C-N 3.3Å; I32-R34 PolarHBondContact O-N 2.91Å; I32-Q35 CarbonylContact O-C 3.54Å; I32-Q35 WeakPolarHBondContact O-CA 3.31Å; I32-Q35 WeakPolarHBondContact O-CB 3.39Å; I32-Q35 PolarHBondContact O-N 2.91Å; I32-I36 HydrophobicContact CG2-CD1 3.66Å; I32-I36 HydrophobicContact CG2-CG1 4.22Å; I32-I36 WeakPolarHBondContact O-CG1 2.94Å; I32-I36 PolarHBondContact O-N 3.42Å
33	D	93.4	Very high	87.4	Confident	90 Å²	90	108.6 Å²	108.6	48%	0.481	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-39.9	178.6	-68.6	-35.7	0	0	0	112.2	S29 I36 S37	S29-D33 VanDerWaalsContact O-CG 3.25Å; S29-D33 PolarHBondContact O-N 3.5Å; S29-D33 VanDerWaalsContact O-OD2 3.13Å; D33-I36 PolarHBondContact O-N 2.95Å; D33-S37 WeakPolarHBondContact O-CB 3.37Å; D33-S37 PolarHBondContact O-N 3.14Å
34	R	91.4	Very high	86.8	Confident	181 Å²	181	105.5 Å²	105.5	68%	0.683	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-44.6	173	-74.6	172.1	-171.3	-175.5	4.2	111.5	Q30 K31 I32 S37 V38	Q30-R34 WeakPolarHBondContact O-CB 3.23Å; Q30-R34 WeakPolarHBondContact O-CG 3.36Å; Q30-R34 PolarHBondContact O-N 3.47Å; Q30-R34 VanDerWaalsContact O-N 3.12Å; K31-R34 PolarHBondContact O-N 2.94Å; I32-R34 VanDerWaalsContact C-N 3.3Å; I32-R34 PolarHBondContact O-N 2.91Å; R34-S37 PolarHBondContact O-N 3.4Å; R34-V38 WeakPolarHBondContact O-CG2 3.06Å; R34-V38 PolarHBondContact O-N 3.08Å; R34-V38 VanDerWaalsContact O-N 3.14Å
35	Q	89.6	Confident	85.8	Confident	97 Å²	97	104.2 Å²	104.2	45%	0.453	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-47.5	176.8	-74.5	178.7	-38	0	0	111.3	K31 I32 S37 V38 Y39	K31-Q35 WeakPolarHBondContact O-CG 3.49Å; K31-Q35 PolarHBondContact O-N 3Å; I32-Q35 CarbonylContact O-C 3.54Å; I32-Q35 WeakPolarHBondContact O-CA 3.31Å; I32-Q35 WeakPolarHBondContact O-CB 3.39Å; I32-Q35 PolarHBondContact O-N 2.91Å; Q35-S37 VanDerWaalsContact C-N 3.3Å; Q35-S37 PolarHBondContact O-N 2.84Å; Q35-V38 PolarHBondContact O-N 3.39Å; Q35-V38 VanDerWaalsContact O-N 3.1Å; Q35-Y39 HydrophobicContact CB-CD2 4.38Å; Q35-Y39 HydrophobicContact CB-CE2 4.23Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.11Å; Q35-Y39 PolarHBondContact O-N 3.28Å
36	I	91	Very high	85	Confident	72 Å²	72	100.8 Å²	100.8	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-57.7	-42.5	176.7	-67.5	170.3	0	0	0	110.9	I32 D33 V38 Y39 K40	I32-I36 HydrophobicContact CG2-CD1 3.66Å; I32-I36 HydrophobicContact CG2-CG1 4.22Å; I32-I36 WeakPolarHBondContact O-CG1 2.94Å; I32-I36 PolarHBondContact O-N 3.42Å; D33-I36 PolarHBondContact O-N 2.95Å; I36-V38 VanDerWaalsContact C-N 3.33Å; I36-V38 PolarHBondContact O-N 3.13Å; I36-Y39 PolarHBondContact O-N 2.82Å; I36-K40 HydrophobicContact CG2-CD 3.99Å; I36-K40 HydrophobicContact CG2-CG 4.26Å; I36-K40 WeakPolarHBondContact O-CB 3.25Å; I36-K40 WeakPolarHBondContact O-CG 3.28Å; I36-K40 PolarHBondContact O-N 2.9Å
37	S	87.8	Confident	84.2	Confident	56 Å²	56	96.9 Å²	96.9	39%	0.392	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-39.3	177.4	178.9	0	0	0	0	112.5	D33 R34 Q35 K41	D33-S37 WeakPolarHBondContact O-CB 3.37Å; D33-S37 PolarHBondContact O-N 3.14Å; R34-S37 PolarHBondContact O-N 3.4Å; Q35-S37 VanDerWaalsContact C-N 3.3Å; Q35-S37 PolarHBondContact O-N 2.84Å; S37-K41 WeakPolarHBondContact O-CG 3.32Å; S37-K41 PolarHBondContact O-N 3.19Å
38	V	85.8	Confident	83.6	Confident	77 Å²	77	95 Å²	95	47%	0.467	46%	0.459	S	S	.	.	H	α-helix	trans	-66.3	-46.1	175.3	173.8	0	0	0	0	110.6	R34 Q35 I36 K40 K41 M42	R34-V38 WeakPolarHBondContact O-CG2 3.06Å; R34-V38 PolarHBondContact O-N 3.08Å; R34-V38 VanDerWaalsContact O-N 3.14Å; Q35-V38 PolarHBondContact O-N 3.39Å; Q35-V38 VanDerWaalsContact O-N 3.1Å; I36-V38 VanDerWaalsContact C-N 3.33Å; I36-V38 PolarHBondContact O-N 3.13Å; V38-K40 PolarHBondContact O-N 3.15Å; V38-K41 PolarHBondContact O-N 3.19Å; V38-M42 HydrophobicContact CG1-CE 3.81Å; V38-M42 HydrophobicContact CG1-SD 4.38Å; V38-M42 WeakPolarHBondContact O-CG 3.45Å; V38-M42 PolarHBondContact O-N 3.44Å
39	Y	82.5	Confident	83.1	Confident	149 Å²	149	91.8 Å²	91.8	58%	0.584	44%	0.442	S	S	*	.	H	α-helix	trans	-61.5	-43.8	177.3	-75.9	-66.2	0	0	0	112.5	Q35 I36 K41 M42 E43	Q35-Y39 HydrophobicContact CB-CD2 4.38Å; Q35-Y39 HydrophobicContact CB-CE2 4.23Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.11Å; Q35-Y39 PolarHBondContact O-N 3.28Å; I36-Y39 PolarHBondContact O-N 2.82Å; Y39-K41 VanDerWaalsContact C-N 3.3Å; Y39-K41 PolarHBondContact O-N 3.08Å; Y39-M42 CarbonylContact O-C 3.6Å; Y39-M42 WeakPolarHBondContact O-CB 3.25Å; Y39-M42 PolarHBondContact O-N 3.03Å; Y39-M42 VanDerWaalsContact O-N 3.08Å; Y39-E43 PolarHBondContact O-N 3.33Å
40	K	83.8	Confident	82.7	Confident	136 Å²	136	93.7 Å²	93.7	59%	0.591	45%	0.448	S	S	*	.	H	α-helix	trans	-57.4	-42.4	175.3	-77.3	178.3	177.6	178.5	0	112	I36 V38 E43 V44	I36-K40 HydrophobicContact CG2-CD 3.99Å; I36-K40 HydrophobicContact CG2-CG 4.26Å; I36-K40 WeakPolarHBondContact O-CB 3.25Å; I36-K40 WeakPolarHBondContact O-CG 3.28Å; I36-K40 PolarHBondContact O-N 2.9Å; V38-K40 PolarHBondContact O-N 3.15Å; K40-E43 PolarHBondContact O-N 3.13Å; K40-V44 WeakPolarHBondContact O-CG2 3.19Å; K40-V44 PolarHBondContact O-N 2.94Å; K40-V44 VanDerWaalsContact O-N 3.12Å
41	K	78.2	Confident	82.3	Confident	147 Å²	147	89.5 Å²	89.5	64%	0.639	43%	0.429	S	S	*	.	H	α-helix	trans	-65.1	-38.4	176	-72.8	176.4	-179.1	-179.7	0	112.2	S37 V38 Y39	S37-K41 WeakPolarHBondContact O-CG 3.32Å; S37-K41 PolarHBondContact O-N 3.19Å; V38-K41 PolarHBondContact O-N 3.19Å; Y39-K41 VanDerWaalsContact C-N 3.3Å; Y39-K41 PolarHBondContact O-N 3.08Å
42	M	74.2	Confident	81.9	Confident	86 Å²	86	86.6 Å²	86.6	42%	0.424	42%	0.42	S	S	.	.	H	α-helix	trans	-68.4	-36.9	175.5	-68.7	-177.6	176.3	0	0	112.2	V38 Y39 N45 C46	V38-M42 HydrophobicContact CG1-CE 3.81Å; V38-M42 HydrophobicContact CG1-SD 4.38Å; V38-M42 WeakPolarHBondContact O-CG 3.45Å; V38-M42 PolarHBondContact O-N 3.44Å; Y39-M42 CarbonylContact O-C 3.6Å; Y39-M42 WeakPolarHBondContact O-CB 3.25Å; Y39-M42 PolarHBondContact O-N 3.03Å; Y39-M42 VanDerWaalsContact O-N 3.08Å; M42-N45 PolarHBondContact O-N 3.41Å; M42-C46 PolarHBondContact O-N 3.01Å
43	E	73.2	Confident	81.2	Confident	106 Å²	106	83.5 Å²	83.5	50%	0.495	41%	0.408	S	S	.	.	H	α-helix	trans	-67.6	-36.5	177.7	-77.8	-155.8	116.5	0	0	113.1	Y39 K40 N45 C46 K48	Y39-E43 PolarHBondContact O-N 3.33Å; K40-E43 PolarHBondContact O-N 3.13Å; E43-N45 VanDerWaalsContact C-N 3.26Å; E43-N45 PolarHBondContact O-N 3.17Å; E43-C46 WeakPolarHBondContact O-CB 3.37Å; E43-C46 PolarHBondContact O-N 3.13Å; E43-C46 VanDerWaalsContact O-N 3.12Å; E43-K48 IonicContact OE1-NZ 3.43Å; E43-K48 PolarHBondContact OE1-NZ 3.49Å
44	V	72.5	Confident	80.4	Confident	79 Å²	79	80 Å²	80	48%	0.479	39%	0.389	S	S	.	.	H	α-helix	trans	-62.5	-36.1	177.3	171.9	0	0	0	0	111.4	K40 C46	K40-V44 WeakPolarHBondContact O-CG2 3.19Å; K40-V44 PolarHBondContact O-N 2.94Å; K40-V44 VanDerWaalsContact O-N 3.12Å; V44-C46 PolarHBondContact O-N 2.84Å
45	N	68	Low	79.5	Confident	89 Å²	89	71.8 Å²	71.8	48%	0.476	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9.4	178.8	-66	-16.7	0	0	0	113.3	M42 E43	M42-N45 PolarHBondContact O-N 3.41Å; E43-N45 VanDerWaalsContact C-N 3.26Å; E43-N45 PolarHBondContact O-N 3.17Å
46	C	71.1	Confident	78.8	Confident	13 Å²	13	69.8 Å²	69.8	9%	0.088	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.3	-175.6	179	0	0	0	0	111.6	M42 E43 V44 R212 H214	M42-C46 PolarHBondContact O-N 3.01Å; E43-C46 WeakPolarHBondContact O-CB 3.37Å; E43-C46 PolarHBondContact O-N 3.13Å; E43-C46 VanDerWaalsContact O-N 3.12Å; V44-C46 PolarHBondContact O-N 2.84Å; C46-R212 CarbonylContact C-O 3.57Å; C46-R212 WeakPolarHBondContact CA-O 3.39Å; C46-R212 HydrophobicContact CB-CB 4.15Å; C46-R212 PolarHBondContact SG-O 2.84Å; C46-H214 PolarHBondContact SG-CE1 2.93Å; C46-H214 PolarHBondContact SG-ND1 2.79Å
47	I	74.4	Confident	78.2	Confident	15 Å²	15	68 Å²	68	8%	0.077	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114	171.4	-62.2	-179.7	0	0	0	108.7	L49 V211 R212 F213 H214 L559	I47-L49 HydrophobicContact CG2-CD2 4.02Å; I47-L49 HydrophobicContact CG2-CG 4.29Å; I47-V211 HydrophobicContact CB-CG1 4.09Å; I47-V211 HydrophobicContact CD1-CG1 3.55Å; I47-V211 HydrophobicContact CG1-CG1 3.53Å; I47-R212 PolarHBondContact N-O 3.14Å; I47-F213 HydrophobicContact CB-CD1 4.22Å; I47-F213 HydrophobicContact CB-CE1 4.01Å; I47-F213 HydrophobicContact CB-CZ 4.39Å; I47-F213 HydrophobicContact CD1-CE1 4.3Å; I47-F213 HydrophobicContact CD1-CZ 4.07Å; I47-F213 HydrophobicContact CG2-CD1 4.21Å; I47-F213 HydrophobicContact CG2-CE1 3.91Å; I47-F213 VanDerWaalsContact O-CA 3.3Å; I47-F213 WeakPolarHBondContact O-CA 3.4Å; I47-H214 PolarHBondContact O-N 3.24Å; I47-H214 VanDerWaalsContact O-N 3.17Å; I47-L559 HydrophobicContact CD1-CB 4.49Å
48	K	77.7	Confident	77.8	Confident	116 Å²	116	66 Å²	66	50%	0.504	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.2	174.5	-61.5	-177.7	-177.8	179.8	0	109.3	E43 H214	E43-K48 IonicContact OE1-NZ 3.43Å; E43-K48 PolarHBondContact OE1-NZ 3.49Å; K48-H214 HydrophobicContact CG-CB 4.44Å
49	L	80.7	Confident	77.7	Confident	36 Å²	36	63 Å²	63	19%	0.188	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.6	177.4	-64.2	-177.8	0	0	0	110.1	I47 M66 F213 H214 G215 F216 L559	I47-L49 HydrophobicContact CG2-CD2 4.02Å; I47-L49 HydrophobicContact CG2-CG 4.29Å; L49-M66 HydrophobicContact CD1-CE 4.48Å; L49-F213 HydrophobicContact CD1-CD1 3.6Å; L49-F213 HydrophobicContact CD1-CE1 4.04Å; L49-F213 HydrophobicContact CG-CD1 4.05Å; L49-H214 CarbonylContact C-O 3.59Å; L49-H214 WeakPolarHBondContact CA-O 3.32Å; L49-H214 PolarHBondContact N-O 3.49Å; L49-G215 WeakPolarHBondContact O-CA 3.34Å; L49-F216 PolarHBondContact O-N 3.41Å; L49-L559 HydrophobicContact CD1-CD1 4.26Å; L49-L559 HydrophobicContact CD2-CD1 3.77Å; L49-L559 HydrophobicContact CD2-CD2 4.16Å
50	L	84	Confident	77.8	Confident	94 Å²	94	57.3 Å²	57.3	49%	0.492	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.3	175.9	-179.6	62.6	0	0	0	109.1	L52 F216	L50-L52 HydrophobicContact CD1-CD2 4.25Å; L50-L52 HydrophobicContact CD2-CD1 4.17Å; L50-L52 HydrophobicContact CD2-CD2 3.98Å; L50-L52 HydrophobicContact CD2-CG 4.14Å; L50-L52 HydrophobicContact CG-CD2 3.91Å; L50-L52 HydrophobicContact CG-CG 3.98Å; L50-F216 HydrophobicContact CD1-CB 3.75Å
51	L	84.4	Confident	77.9	Confident	20 Å²	20	52.1 Å²	52.1	11%	0.105	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.4	174.6	-62.1	178	0	0	0	109.3	L62 L63 F216	L51-L62 HydrophobicContact CD1-CD2 4.17Å; L51-L62 HydrophobicContact CD2-CD2 3.71Å; L51-L63 HydrophobicContact CD1-CD1 4.42Å; L51-L63 HydrophobicContact CD1-CD2 3.62Å; L51-L63 HydrophobicContact CD1-CG 3.67Å; L51-F216 WeakPolarHBondContact CB-O 3.24Å; L51-F216 PolarHBondContact N-O 3.06Å
52	L	83.4	Confident	78.2	Confident	80 Å²	80	45.8 Å²	45.8	42%	0.419	25%	0.249	S	C	.	.			trans	-117.8	149.5	178.6	-61.7	176.3	0	0	0	110.5	L50 A239	L50-L52 HydrophobicContact CD1-CD2 4.25Å; L50-L52 HydrophobicContact CD2-CD1 4.17Å; L50-L52 HydrophobicContact CD2-CD2 3.98Å; L50-L52 HydrophobicContact CD2-CG 4.14Å; L50-L52 HydrophobicContact CG-CD2 3.91Å; L50-L52 HydrophobicContact CG-CG 3.98Å; L52-A239 HydrophobicContact CD1-CB 4.39Å
53	G	78.9	Confident	78.7	Confident	15 Å²	15	42.4 Å²	42.4	16%	0.155	23%	0.233	C	C	.	.			trans	159.3	167.6	174.5	0	0	0	0	0	112.8	K59	G53-K59 PolarHBondContact O-NZ 3.07Å
54	T	76.7	Confident	79.3	Confident	16 Å²	16	38.4 Å²	38.4	10%	0.098	21%	0.214	C	C	.	.	S	Bend	trans	-60.7	164.8	177.4	62.3	0	0	0	0	112.1	S57 K59 D231 S232 V235	T54-S57 WeakPolarHBondContact O-CB 3.26Å; T54-S57 PolarHBondContact O-N 2.89Å; T54-S57 PolarHBondContact O-OG 3.25Å; T54-K59 PolarHBondContact O-NZ 2.84Å; T54-D231 HydrophobicContact CG2-CB 3.89Å; T54-S232 WeakPolarHBondContact CG2-OG 3.47Å; T54-V235 HydrophobicContact CG2-CG2 4.34Å
55	G	72.9	Confident	80	Confident	9 Å²	9	34.6 Å²	34.6	9%	0.093	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	145.6	167.2	0	0	0	0	0	111.3	S57 E222	G55-S57 PolarHBondContact O-N 3.44Å; G55-E222 WeakPolarHBondContact CA-OE1 3.28Å
56	E	73.4	Confident	80.7	Confident	54 Å²	54	31 Å²	31	25%	0.252	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	9.3	179	-53.5	170.2	-173.2	0	0	116.6	G58 R190 R228 K256	E56-G58 PolarHBondContact O-N 3.11Å; E56-G58 VanDerWaalsContact O-N 3.1Å; E56-R190 IonicContact OE1-CZ 3.74Å; E56-R190 IonicContact OE1-NH1 3.62Å; E56-R190 PolarHBondContact OE1-NH1 2.78Å; E56-R190 IonicContact OE1-NH2 2.74Å; E56-R190 PolarHBondContact OE1-NH2 3.36Å; E56-R190 IonicContact OE2-NH1 2.92Å; E56-R228 IonicContact OE1-NH1 3.68Å; E56-R228 IonicContact OE1-NH2 2.8Å; E56-R228 IonicContact OE2-CZ 3.6Å; E56-R228 VanDerWaalsContact OE2-CZ 3.24Å; E56-R228 IonicContact OE2-NH1 2.87Å; E56-R228 PolarHBondContact OE2-NH1 3.33Å; E56-R228 IonicContact OE2-NH2 3.48Å; E56-R228 PolarHBondContact OE2-NH2 3.1Å; E56-K256 WeakPolarHBondContact O-CE 3.38Å; E56-K256 PolarHBondContact O-NZ 3.46Å
57	S	78.2	Confident	81.3	Confident	36 Å²	36	32.2 Å²	32.2	25%	0.252	18%	0.175	S	C	.	.	S	Bend	trans	-66.1	-12.9	179	65.7	0	0	0	0	114.2	T54 G55 K59 N255	T54-S57 WeakPolarHBondContact O-CB 3.26Å; T54-S57 PolarHBondContact O-N 2.89Å; T54-S57 PolarHBondContact O-OG 3.25Å; G55-S57 PolarHBondContact O-N 3.44Å; S57-K59 WeakPolarHBondContact OG-CG 3.45Å; S57-N255 PolarHBondContact O-ND2 2.83Å
58	G	79.7	Confident	81.9	Confident	12 Å²	12	32.9 Å²	32.9	12%	0.124	18%	0.179	C	C	.	.	S	Bend	trans	100.2	16.2	178	0	0	0	0	0	115.1	E56 T61 L62	E56-G58 PolarHBondContact O-N 3.11Å; E56-G58 VanDerWaalsContact O-N 3.1Å; G58-T61 WeakPolarHBondContact O-CB 3.39Å; G58-T61 PolarHBondContact O-N 3.5Å; G58-L62 PolarHBondContact O-N 2.87Å
59	K	83.7	Confident	82.2	Confident	14 Å²	14	29.1 Å²	29.1	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-55	-52.2	176.7	-60.2	-179.7	-62.3	-78.1	0	112.5	G53 T54 S57 T61 L62 L63 D217 Q218	G53-K59 PolarHBondContact O-NZ 3.07Å; T54-K59 PolarHBondContact O-NZ 2.84Å; S57-K59 WeakPolarHBondContact OG-CG 3.45Å; K59-T61 VanDerWaalsContact C-N 3.26Å; K59-T61 PolarHBondContact O-N 2.89Å; K59-L62 WeakPolarHBondContact O-CA 3.2Å; K59-L62 WeakPolarHBondContact O-CB 3.48Å; K59-L62 PolarHBondContact O-N 2.84Å; K59-L63 PolarHBondContact O-N 2.92Å; K59-D217 WeakPolarHBondContact CB-OD1 3.46Å; K59-D217 WeakPolarHBondContact CD-OD1 3.31Å; K59-D217 WeakPolarHBondContact CE-OD1 3.45Å; K59-Q218 VanDerWaalsContact CE-O 3.28Å; K59-Q218 WeakPolarHBondContact CE-O 3.18Å
60	S	84.7	Confident	82.1	Confident	30 Å²	30	30.1 Å²	30.1	21%	0.21	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-32.3	179.3	-33.5	0	0	0	0	111.4	L63 K64 T193 D217	S60-L63 PolarHBondContact O-N 3.26Å; S60-K64 VanDerWaalsContact O-CG 3.26Å; S60-K64 WeakPolarHBondContact O-CG 3.46Å; S60-K64 PolarHBondContact O-N 3.43Å; S60-T193 PolarHBondContact OG-OG1 3.4Å; S60-D217 PolarHBondContact N-OD2 3.13Å; S60-D217 PolarHBondContact OG-OD2 3.27Å
61	T	85.9	Confident	81.8	Confident	28 Å²	28	28.3 Å²	28.3	17%	0.172	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-40.2	171.5	-49.5	0	0	0	0	111.4	G58 K59 K64 Q65 L187 A542	G58-T61 WeakPolarHBondContact O-CB 3.39Å; G58-T61 PolarHBondContact O-N 3.5Å; K59-T61 VanDerWaalsContact C-N 3.26Å; K59-T61 PolarHBondContact O-N 2.89Å; T61-K64 WeakPolarHBondContact O-CB 3.5Å; T61-K64 PolarHBondContact O-N 3.15Å; T61-Q65 WeakPolarHBondContact O-CG 3.41Å; T61-Q65 PolarHBondContact O-N 3.46Å; T61-L187 HydrophobicContact CG2-CB 4.44Å; T61-L187 HydrophobicContact CG2-CD2 3.97Å; T61-A542 HydrophobicContact CG2-CB 3.83Å; T61-A542 WeakPolarHBondContact CG2-O 3.5Å
62	L	84.4	Confident	81.7	Confident	14 Å²	14	35.6 Å²	35.6	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-41.6	175.1	-176.8	63.3	0	0	0	111.9	L51 G58 K59 Q65 M66 F253 M548 L552	L51-L62 HydrophobicContact CD1-CD2 4.17Å; L51-L62 HydrophobicContact CD2-CD2 3.71Å; G58-L62 PolarHBondContact O-N 2.87Å; K59-L62 WeakPolarHBondContact O-CA 3.2Å; K59-L62 WeakPolarHBondContact O-CB 3.48Å; K59-L62 PolarHBondContact O-N 2.84Å; L62-Q65 WeakPolarHBondContact O-CB 3.36Å; L62-Q65 PolarHBondContact O-N 2.86Å; L62-M66 HydrophobicContact CG-CE 4.35Å; L62-M66 WeakPolarHBondContact O-CG 3.49Å; L62-M66 PolarHBondContact O-N 2.91Å; L62-F253 HydrophobicContact CD2-CD2 3.87Å; L62-F253 HydrophobicContact CD2-CE2 3.72Å; L62-F253 HydrophobicContact CD2-CZ 4.46Å; L62-M548 HydrophobicContact CD1-SD 4.27Å; L62-L552 HydrophobicContact CD1-CD2 4.3Å
63	L	84.6	Confident	81.7	Confident	15 Å²	15	32.4 Å²	32.4	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-43	173.3	-72.1	179.1	0	0	0	112.1	L51 K59 S60 Q65 M66 K67 N197 L199 D217	L51-L63 HydrophobicContact CD1-CD1 4.42Å; L51-L63 HydrophobicContact CD1-CD2 3.62Å; L51-L63 HydrophobicContact CD1-CG 3.67Å; K59-L63 PolarHBondContact O-N 2.92Å; S60-L63 PolarHBondContact O-N 3.26Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 2.89Å; L63-M66 HydrophobicContact CD2-SD 4.48Å; L63-M66 PolarHBondContact O-N 2.96Å; L63-K67 PolarHBondContact O-N 3.32Å; L63-N197 HydrophobicContact CD1-CB 4.31Å; L63-L199 HydrophobicContact CD2-CB 4.15Å; L63-L199 HydrophobicContact CD2-CD2 4.32Å; L63-L199 WeakPolarHBondContact O-CD2 3.4Å; L63-D217 HydrophobicContact CD1-CB 3.76Å
64	K	87.2	Confident	82.2	Confident	21 Å²	21	32.4 Å²	32.4	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-41	174	-70.2	171	178.6	-178.1	0	111.4	S60 T61 K67 I68 F74 I186 L187 C189	S60-K64 VanDerWaalsContact O-CG 3.26Å; S60-K64 WeakPolarHBondContact O-CG 3.46Å; S60-K64 PolarHBondContact O-N 3.43Å; T61-K64 WeakPolarHBondContact O-CB 3.5Å; T61-K64 PolarHBondContact O-N 3.15Å; K64-K67 WeakPolarHBondContact O-CB 3.45Å; K64-K67 PolarHBondContact O-N 3.12Å; K64-I68 WeakPolarHBondContact O-CG1 3.46Å; K64-I68 PolarHBondContact O-N 3.41Å; K64-F74 HydrophobicContact CB-CZ 3.96Å; K64-F74 HydrophobicContact CG-CZ 3.96Å; K64-I186 HydrophobicContact CD-CG2 4.26Å; K64-I186 WeakPolarHBondContact CD-O 3.39Å; K64-I186 PolarHBondContact NZ-O 3.33Å; K64-L187 HydrophobicContact CB-CD2 3.72Å; K64-C189 PolarHBondContact NZ-O 2.91Å
65	Q	85.9	Confident	82.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-43	175.1	-72	-72.2	5.3	0	0	112.2	T61 L62 L63 K67 I68 I69 L187 A542 V543 T545 M548	T61-Q65 WeakPolarHBondContact O-CG 3.41Å; T61-Q65 PolarHBondContact O-N 3.46Å; L62-Q65 WeakPolarHBondContact O-CB 3.36Å; L62-Q65 PolarHBondContact O-N 2.86Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 2.89Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 3.19Å; Q65-I68 PolarHBondContact O-N 2.88Å; Q65-I69 WeakPolarHBondContact O-CB 3.41Å; Q65-I69 VanDerWaalsContact O-CG1 3.32Å; Q65-I69 WeakPolarHBondContact O-CG1 3.06Å; Q65-I69 PolarHBondContact O-N 2.85Å; Q65-L187 HydrophobicContact CG-CD2 3.64Å; Q65-A542 WeakPolarHBondContact CG-O 3.49Å; Q65-A542 PolarHBondContact NE2-O 3.23Å; Q65-V543 PolarHBondContact NE2-O 3.24Å; Q65-T545 PolarHBondContact OE1-OG1 2.92Å; Q65-M548 HydrophobicContact CB-CG 4.43Å; Q65-M548 HydrophobicContact CG-CG 4.01Å
66	M	82	Confident	83.7	Confident	12 Å²	12	39.8 Å²	39.8	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-41	174.4	-72.8	-179.3	175.5	0	0	111.5	L49 L62 L63 I69 H70 L199 F201 L552	L49-M66 HydrophobicContact CD1-CE 4.48Å; L62-M66 HydrophobicContact CG-CE 4.35Å; L62-M66 WeakPolarHBondContact O-CG 3.49Å; L62-M66 PolarHBondContact O-N 2.91Å; L63-M66 HydrophobicContact CD2-SD 4.48Å; L63-M66 PolarHBondContact O-N 2.96Å; M66-I69 PolarHBondContact O-N 2.85Å; M66-H70 WeakPolarHBondContact O-CB 3.32Å; M66-H70 PolarHBondContact O-N 2.87Å; M66-L199 HydrophobicContact CB-CD2 3.68Å; M66-F201 HydrophobicContact CB-CE1 4.28Å; M66-F201 HydrophobicContact CB-CZ 4.49Å; M66-F201 HydrophobicContact SD-CE1 4.18Å; M66-F201 HydrophobicContact SD-CZ 4.27Å; M66-L552 HydrophobicContact CE-CD2 3.57Å; M66-L552 HydrophobicContact CG-CD1 3.93Å; M66-L552 HydrophobicContact CG-CD2 4.41Å
67	K	85.5	Confident	84.5	Confident	39 Å²	39	44.8 Å²	44.8	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-44	175.1	-173.4	174.6	175.6	177.5	0	112.1	L63 K64 Q65 I69 I71 G73 F74 E78 L199	L63-K67 PolarHBondContact O-N 3.32Å; K64-K67 WeakPolarHBondContact O-CB 3.45Å; K64-K67 PolarHBondContact O-N 3.12Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 3.19Å; K67-I69 VanDerWaalsContact C-N 3.35Å; K67-I69 PolarHBondContact O-N 3.43Å; K67-I71 HydrophobicContact CG-CB 4.1Å; K67-I71 HydrophobicContact CG-CD1 4.39Å; K67-I71 CarbonylContact O-C 3.2Å; K67-I71 VanDerWaalsContact O-C 3.26Å; K67-I71 VanDerWaalsContact O-CA 3.32Å; K67-I71 WeakPolarHBondContact O-CA 3.36Å; K67-I71 WeakPolarHBondContact O-CB 3.49Å; K67-I71 PolarHBondContact O-N 3.01Å; K67-G73 WeakPolarHBondContact CE-O 3.29Å; K67-G73 PolarHBondContact O-N 2.88Å; K67-F74 HydrophobicContact CD-CD1 4.12Å; K67-F74 HydrophobicContact CD-CE1 3.7Å; K67-F74 HydrophobicContact CD-CZ 4.14Å; K67-E78 IonicContact NZ-OE1 3.21Å; K67-E78 PolarHBondContact NZ-OE1 3.05Å; K67-E78 IonicContact NZ-OE2 3.81Å; K67-E78 PolarHBondContact NZ-OE2 3.44Å; K67-L199 HydrophobicContact CB-CD1 4.3Å; K67-L199 HydrophobicContact CB-CD2 4.39Å
68	I	86.1	Confident	85.2	Confident	30 Å²	30	46.1 Å²	46.1	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-44.6	176.3	-66.7	164.2	0	0	0	111.5	K64 Q65 F74 D183 L187 T545	K64-I68 WeakPolarHBondContact O-CG1 3.46Å; K64-I68 PolarHBondContact O-N 3.41Å; Q65-I68 PolarHBondContact O-N 2.88Å; I68-F74 HydrophobicContact CD1-CE2 3.92Å; I68-F74 HydrophobicContact CG1-CD2 4.07Å; I68-F74 HydrophobicContact CG1-CE2 3.63Å; I68-D183 HydrophobicContact CD1-CB 4.03Å; I68-L187 HydrophobicContact CD1-CD1 3.74Å; I68-L187 HydrophobicContact CD1-CD2 3.9Å; I68-L187 HydrophobicContact CD1-CG 3.83Å; I68-T545 HydrophobicContact CG2-CG2 4.28Å
69	I	83.2	Confident	85.8	Confident	37 Å²	37	48.1 Å²	48.1	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-77.8	-37.9	-173	-69.1	164.6	0	0	0	112.4	Q65 M66 K67 T545 M548 H549 L552	Q65-I69 WeakPolarHBondContact O-CB 3.41Å; Q65-I69 VanDerWaalsContact O-CG1 3.32Å; Q65-I69 WeakPolarHBondContact O-CG1 3.06Å; Q65-I69 PolarHBondContact O-N 2.85Å; M66-I69 PolarHBondContact O-N 2.85Å; K67-I69 VanDerWaalsContact C-N 3.35Å; K67-I69 PolarHBondContact O-N 3.43Å; I69-T545 HydrophobicContact CD1-CG2 4.32Å; I69-T545 HydrophobicContact CG1-CG2 4.07Å; I69-M548 HydrophobicContact CD1-CB 4.34Å; I69-H549 HydrophobicContact CD1-CB 4.07Å; I69-H549 WeakPolarHBondContact CG2-ND1 3.48Å; I69-L552 HydrophobicContact CD1-CD1 3.8Å
70	H	78.5	Confident	86.2	Confident	57 Å²	57	51.8 Å²	51.8	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-112.9	-18.1	-169.5	-63.5	-67.6	0	0	0	114.6	M66 F201	M66-H70 WeakPolarHBondContact O-CB 3.32Å; M66-H70 PolarHBondContact O-N 2.87Å; H70-F201 HydrophobicContact CB-CB 4.28Å; H70-F201 HydrophobicContact CB-CD2 3.46Å; H70-F201 VanDerWaalsContact CB-CD2 3.46Å; H70-F201 HydrophobicContact CB-CE2 3.84Å; H70-F201 HydrophobicContact CB-CG 3.94Å; H70-F201 AromaticContact CD2-CD2 4Å; H70-F201 AromaticContact CD2-CE2 3.4Å; H70-F201 VanDerWaalsContact CD2-CE2 3.4Å; H70-F201 WeakPolarHBondContact CD2-CE2 3.42Å; H70-F201 AromaticContact CD2-CZ 3.86Å; H70-F201 AromaticContact CG-CD2 3.65Å; H70-F201 AromaticContact CG-CE2 3.52Å; H70-F201 AromaticContact NE2-CE2 3.95Å
71	I	79.4	Confident	86.5	Confident	55 Å²	55	55 Å²	55	28%	0.282	28%	0.282	S	S	.	.	S	Bend	trans	-128.4	55.2	-172.1	-42.7	179	0	0	0	110.4	K67 G73 L199 Q200 F201	K67-I71 HydrophobicContact CG-CB 4.1Å; K67-I71 HydrophobicContact CG-CD1 4.39Å; K67-I71 CarbonylContact O-C 3.2Å; K67-I71 VanDerWaalsContact O-C 3.26Å; K67-I71 VanDerWaalsContact O-CA 3.32Å; K67-I71 WeakPolarHBondContact O-CA 3.36Å; K67-I71 WeakPolarHBondContact O-CB 3.49Å; K67-I71 PolarHBondContact O-N 3.01Å; I71-G73 PolarHBondContact O-N 3.22Å; I71-L199 HydrophobicContact CD1-CD1 3.49Å; I71-L199 VanDerWaalsContact CD1-CD1 3.49Å; I71-L199 HydrophobicContact CD1-CD2 4.33Å; I71-L199 HydrophobicContact CD1-CG 3.89Å; I71-Q200 WeakPolarHBondContact CD1-O 3.38Å; I71-F201 HydrophobicContact CD1-CB 3.75Å; I71-F201 HydrophobicContact CD1-CD1 4.35Å; I71-F201 HydrophobicContact CD1-CG 4.42Å; I71-F201 HydrophobicContact CG1-CB 3.61Å; I71-F201 HydrophobicContact CG1-CG 4.35Å
72	N	82.1	Confident	86.7	Confident	173 Å²	173	55.4 Å²	55.4	93%	0.925	28%	0.28	S	S	*	.			trans	47	17	172.6	-65.8	-14	0	0	0	116.8
73	G	83.8	Confident	87	Confident	14 Å²	14	56.5 Å²	56.5	14%	0.144	29%	0.286	C	S	.	.			trans	78.2	-154.9	-177.5	0	0	0	0	0	115.9	K67 I71	K67-G73 WeakPolarHBondContact CE-O 3.29Å; K67-G73 PolarHBondContact O-N 2.88Å; I71-G73 PolarHBondContact O-N 3.22Å
74	F	87.9	Confident	87.2	Confident	15 Å²	15	59 Å²	59	7%	0.066	30%	0.303	C	S	.	.			trans	-101.7	131	177.8	-65	-83	0	0	0	109.9	K64 K67 I68 E78 R79 Y82 I186	K64-F74 HydrophobicContact CB-CZ 3.96Å; K64-F74 HydrophobicContact CG-CZ 3.96Å; K67-F74 HydrophobicContact CD-CD1 4.12Å; K67-F74 HydrophobicContact CD-CE1 3.7Å; K67-F74 HydrophobicContact CD-CZ 4.14Å; I68-F74 HydrophobicContact CD1-CE2 3.92Å; I68-F74 HydrophobicContact CG1-CD2 4.07Å; I68-F74 HydrophobicContact CG1-CE2 3.63Å; F74-E78 WeakPolarHBondContact CA-OE2 3.33Å; F74-R79 HydrophobicContact CB-CG 4.06Å; F74-Y82 HydrophobicContact CD1-CE2 4.3Å; F74-Y82 HydrophobicContact CE1-CE2 4.26Å; F74-I186 HydrophobicContact CB-CD1 4.06Å; F74-I186 HydrophobicContact CD1-CG2 4.38Å; F74-I186 HydrophobicContact CD2-CD1 3.88Å; F74-I186 HydrophobicContact CD2-CG2 4.09Å; F74-I186 HydrophobicContact CE1-CG2 3.98Å; F74-I186 HydrophobicContact CE2-CB 4.4Å; F74-I186 HydrophobicContact CE2-CG2 3.67Å; F74-I186 HydrophobicContact CG-CD1 3.91Å; F74-I186 HydrophobicContact CG-CG2 4.44Å; F74-I186 HydrophobicContact CZ-CG2 3.63Å
75	S	90.9	Very high	87.3	Confident	61 Å²	61	59 Å²	59	43%	0.427	30%	0.304	S	S	.	.			trans	-68.2	155.8	174.5	70.9	0	0	0	0	111.2	K77 E78 R79	S75-K77 PolarHBondContact O-N 3.44Å; S75-K77 VanDerWaalsContact O-N 3.16Å; S75-E78 PolarHBondContact N-OE2 3.03Å; S75-E78 WeakPolarHBondContact O-CB 3.38Å; S75-E78 PolarHBondContact O-N 3.11Å; S75-E78 VanDerWaalsContact OG-CG 3.3Å; S75-E78 WeakPolarHBondContact OG-CG 3.46Å; S75-E78 PolarHBondContact OG-N 2.92Å; S75-E78 PolarHBondContact OG-OE2 3.12Å; S75-R79 WeakPolarHBondContact O-CG 3.34Å; S75-R79 PolarHBondContact O-N 3.49Å
76	N	90.4	Very high	87.6	Confident	119 Å²	119	59.1 Å²	59.1	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-55.9	-35.3	177.9	-74.5	-22.8	0	0	0	112.7	R79 L80	N76-R79 PolarHBondContact O-N 2.82Å; N76-L80 WeakPolarHBondContact O-CG 3.5Å; N76-L80 PolarHBondContact O-N 3.05Å; N76-L80 VanDerWaalsContact O-N 3.13Å
77	K	91.5	Very high	88	Confident	159 Å²	159	61.1 Å²	61.1	69%	0.691	31%	0.313	S	S	*	.	H	α-helix	trans	-61.7	-49.7	174.8	-174	180	177.7	-178.3	0	111.4	S75 R79 L80 D81	S75-K77 PolarHBondContact O-N 3.44Å; S75-K77 VanDerWaalsContact O-N 3.16Å; K77-R79 VanDerWaalsContact C-N 3.28Å; K77-R79 PolarHBondContact O-N 2.93Å; K77-L80 WeakPolarHBondContact O-CB 3.42Å; K77-L80 PolarHBondContact O-N 3.33Å; K77-L80 VanDerWaalsContact O-N 3.13Å; K77-D81 PolarHBondContact O-N 3.4Å
78	E	90.8	Very high	88.1	Confident	63 Å²	63	63 Å²	63	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-36.7	177.3	-68.1	173.6	141.7	0	0	112	K67 F74 S75 L80 D81 Y82	K67-E78 IonicContact NZ-OE1 3.21Å; K67-E78 PolarHBondContact NZ-OE1 3.05Å; K67-E78 IonicContact NZ-OE2 3.81Å; K67-E78 PolarHBondContact NZ-OE2 3.44Å; F74-E78 WeakPolarHBondContact CA-OE2 3.33Å; S75-E78 PolarHBondContact N-OE2 3.03Å; S75-E78 WeakPolarHBondContact O-CB 3.38Å; S75-E78 PolarHBondContact O-N 3.11Å; S75-E78 VanDerWaalsContact OG-CG 3.3Å; S75-E78 WeakPolarHBondContact OG-CG 3.46Å; S75-E78 PolarHBondContact OG-N 2.92Å; S75-E78 PolarHBondContact OG-OE2 3.12Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.14Å; E78-D81 WeakPolarHBondContact O-CB 3.31Å; E78-D81 PolarHBondContact O-N 2.85Å; E78-Y82 WeakPolarHBondContact O-CD2 3.36Å; E78-Y82 PolarHBondContact O-N 3.49Å
79	R	92.7	Very high	88.3	Confident	54 Å²	54	61.9 Å²	61.9	20%	0.204	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-40.8	175.6	-65.4	-173.8	166.4	-164.2	-3	111.4	F74 S75 N76 K77 D81 Y82 V180 P181 D183 I186	F74-R79 HydrophobicContact CB-CG 4.06Å; S75-R79 WeakPolarHBondContact O-CG 3.34Å; S75-R79 PolarHBondContact O-N 3.49Å; N76-R79 PolarHBondContact O-N 2.82Å; K77-R79 VanDerWaalsContact C-N 3.28Å; K77-R79 PolarHBondContact O-N 2.93Å; R79-D81 VanDerWaalsContact C-N 3.34Å; R79-Y82 PolarHBondContact O-N 3.32Å; R79-V180 HydrophobicContact CB-CG1 4.19Å; R79-P181 WeakPolarHBondContact CD-O 3.28Å; R79-P181 WeakPolarHBondContact O-CD 3.17Å; R79-P181 VanDerWaalsContact O-CG 3.31Å; R79-P181 WeakPolarHBondContact O-CG 3.25Å; R79-D183 IonicContact CZ-OD1 2.64Å; R79-D183 IonicContact NE-OD1 4Å; R79-D183 IonicContact NH2-OD1 2.87Å; R79-D183 PolarHBondContact NH2-OD1 2.95Å; R79-D183 IonicContact NH2-OD2 3.41Å; R79-D183 PolarHBondContact NH2-OD2 3.37Å; R79-I186 HydrophobicContact CG-CD1 3.87Å
80	L	91.6	Very high	88.7	Confident	92 Å²	92	60.1 Å²	60.1	48%	0.482	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-35.6	176.9	-64.6	174.9	0	0	0	112	N76 K77 E78 Y82 I83	N76-L80 WeakPolarHBondContact O-CG 3.5Å; N76-L80 PolarHBondContact O-N 3.05Å; N76-L80 VanDerWaalsContact O-N 3.13Å; K77-L80 WeakPolarHBondContact O-CB 3.42Å; K77-L80 PolarHBondContact O-N 3.33Å; K77-L80 VanDerWaalsContact O-N 3.13Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.14Å; L80-Y82 PolarHBondContact O-N 2.91Å; L80-I83 HydrophobicContact CD2-CD1 3.63Å; L80-I83 WeakPolarHBondContact O-CB 3.4Å; L80-I83 WeakPolarHBondContact O-CG1 3.44Å; L80-I83 PolarHBondContact O-N 3.45Å; L80-I83 VanDerWaalsContact O-N 3.08Å
81	D	91.1	Very high	89.2	Confident	96 Å²	96	58.6 Å²	58.6	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-63.4	-22.8	176.4	-61	-25.4	0	0	0	112.9	K77 E78 R79 P84	K77-D81 PolarHBondContact O-N 3.4Å; E78-D81 WeakPolarHBondContact O-CB 3.31Å; E78-D81 PolarHBondContact O-N 2.85Å; R79-D81 VanDerWaalsContact C-N 3.34Å; D81-P84 WeakPolarHBondContact O-CD 3.47Å; D81-P84 WeakPolarHBondContact O-CG 3.49Å
82	Y	91.6	Very high	89.7	Confident	37 Å²	37	57.6 Å²	57.6	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-80	-17.9	175.3	-82.9	-78.7	0	0	0	114.1	F74 E78 R79 L80 I85 I86 I186	F74-Y82 HydrophobicContact CD1-CE2 4.3Å; F74-Y82 HydrophobicContact CE1-CE2 4.26Å; E78-Y82 WeakPolarHBondContact O-CD2 3.36Å; E78-Y82 PolarHBondContact O-N 3.49Å; R79-Y82 PolarHBondContact O-N 3.32Å; L80-Y82 PolarHBondContact O-N 2.91Å; Y82-I85 HydrophobicContact CD1-CD1 4.03Å; Y82-I85 HydrophobicContact CE1-CD1 4.36Å; Y82-I85 WeakPolarHBondContact O-CB 3.16Å; Y82-I85 PolarHBondContact O-N 3.19Å; Y82-I85 VanDerWaalsContact O-N 3.14Å; Y82-I86 WeakPolarHBondContact O-CG1 3.26Å; Y82-I86 PolarHBondContact O-N 2.87Å; Y82-I186 HydrophobicContact CD1-CG2 4.36Å; Y82-I186 HydrophobicContact CD2-CD1 4.2Å; Y82-I186 HydrophobicContact CD2-CG1 3.98Å; Y82-I186 HydrophobicContact CD2-CG2 4Å; Y82-I186 HydrophobicContact CE1-CG2 4.04Å; Y82-I186 HydrophobicContact CE2-CG1 4.49Å; Y82-I186 HydrophobicContact CE2-CG2 3.67Å; Y82-I186 HydrophobicContact CG-CG1 4.12Å; Y82-I186 HydrophobicContact CG-CG2 4.35Å
83	I	90.6	Very high	90	Very high	37 Å²	37	49.5 Å²	49.5	19%	0.19	25%	0.252	C	S	.	.	H	α-helix	trans	-55.5	-52.8	-179.6	-65.4	175.5	0	0	0	112.5	L80 I85 I86 K87 P181	L80-I83 HydrophobicContact CD2-CD1 3.63Å; L80-I83 WeakPolarHBondContact O-CB 3.4Å; L80-I83 WeakPolarHBondContact O-CG1 3.44Å; L80-I83 PolarHBondContact O-N 3.45Å; L80-I83 VanDerWaalsContact O-N 3.08Å; I83-I85 PolarHBondContact O-N 3.34Å; I83-I86 PolarHBondContact O-N 3.12Å; I83-K87 WeakPolarHBondContact O-CG 3.18Å; I83-K87 PolarHBondContact O-N 3.35Å; I83-P181 HydrophobicContact CG1-CG 3.71Å
84	P	88.9	Confident	90.4	Very high	68 Å²	68	48.9 Å²	48.9	44%	0.442	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-33.5	178.3	22.8	-33.9	0	0	0	112.6	D81 K87 Q88	D81-P84 WeakPolarHBondContact O-CD 3.47Å; D81-P84 WeakPolarHBondContact O-CG 3.49Å; P84-K87 PolarHBondContact O-N 3.1Å; P84-Q88 PolarHBondContact O-N 3.08Å
85	I	89.8	Confident	90.4	Very high	22 Å²	22	49.9 Å²	49.9	11%	0.113	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-39.1	178.7	-47	179.7	0	0	0	110.9	Y82 I83 Q88 N89 C189 K191	Y82-I85 HydrophobicContact CD1-CD1 4.03Å; Y82-I85 HydrophobicContact CE1-CD1 4.36Å; Y82-I85 WeakPolarHBondContact O-CB 3.16Å; Y82-I85 PolarHBondContact O-N 3.19Å; Y82-I85 VanDerWaalsContact O-N 3.14Å; I83-I85 PolarHBondContact O-N 3.34Å; I85-Q88 WeakPolarHBondContact O-CB 3.42Å; I85-Q88 PolarHBondContact O-N 3.34Å; I85-N89 VanDerWaalsContact O-CG 3.27Å; I85-N89 PolarHBondContact O-N 3.13Å; I85-C189 WeakPolarHBondContact CG2-SG 3.1Å; I85-K191 HydrophobicContact CD1-CD 3.82Å; I85-K191 HydrophobicContact CD1-CG 4.23Å; I85-K191 HydrophobicContact CG2-CB 4.27Å; I85-K191 HydrophobicContact CG2-CG 4.49Å
86	I	91.3	Very high	90.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-42.5	175.1	-69.2	165.2	0	0	0	110.2	Y82 I83 Q88 N89 I90 F167 I174 Y179 P181 D185 C189	Y82-I86 WeakPolarHBondContact O-CG1 3.26Å; Y82-I86 PolarHBondContact O-N 2.87Å; I83-I86 PolarHBondContact O-N 3.12Å; I86-Q88 VanDerWaalsContact C-N 3.3Å; I86-Q88 PolarHBondContact O-N 3.05Å; I86-N89 PolarHBondContact O-N 3.38Å; I86-I90 HydrophobicContact CG2-CD1 4.23Å; I86-I90 WeakPolarHBondContact O-CG1 3.44Å; I86-I90 PolarHBondContact O-N 3.34Å; I86-F167 HydrophobicContact CG1-CE1 4.29Å; I86-F167 HydrophobicContact CG2-CD1 4.13Å; I86-F167 HydrophobicContact CG2-CE1 3.91Å; I86-I174 HydrophobicContact CG2-CD1 4.28Å; I86-I174 HydrophobicContact CG2-CG2 4.15Å; I86-Y179 HydrophobicContact CD1-CE1 4.29Å; I86-P181 HydrophobicContact CD1-CB 3.79Å; I86-P181 HydrophobicContact CD1-CG 3.66Å; I86-D185 HydrophobicContact CD1-CB 4.11Å; I86-C189 HydrophobicContact CG1-CB 4.21Å
87	K	89.6	Confident	90.2	Very high	54 Å²	54	42.8 Å²	42.8	24%	0.235	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-42.6	173.5	-69.2	-176	176.9	-171.6	0	111.5	I83 P84 I90 R91 Y131 F135 F136	I83-K87 WeakPolarHBondContact O-CG 3.18Å; I83-K87 PolarHBondContact O-N 3.35Å; P84-K87 PolarHBondContact O-N 3.1Å; K87-I90 PolarHBondContact O-N 2.84Å; K87-R91 PolarHBondContact O-N 3.12Å; K87-Y131 HydrophobicContact CB-CD1 3.85Å; K87-Y131 HydrophobicContact CB-CD2 4.12Å; K87-Y131 HydrophobicContact CB-CE1 3.68Å; K87-Y131 HydrophobicContact CB-CE2 3.97Å; K87-Y131 HydrophobicContact CB-CG 4.1Å; K87-Y131 HydrophobicContact CD-CD1 4.26Å; K87-Y131 HydrophobicContact CD-CD2 3.93Å; K87-Y131 HydrophobicContact CD-CG 3.8Å; K87-F135 HydrophobicContact CB-CE1 4.49Å; K87-F136 HydrophobicContact CG-CZ 4.23Å
88	Q	88.9	Confident	90.1	Very high	80 Å²	80	35.8 Å²	35.8	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-60.2	-46.7	173.9	-171.9	177.8	-3.9	0	0	111.8	P84 I85 I86 I90 R91 D92 Y131	P84-Q88 PolarHBondContact O-N 3.08Å; I85-Q88 WeakPolarHBondContact O-CB 3.42Å; I85-Q88 PolarHBondContact O-N 3.34Å; I86-Q88 VanDerWaalsContact C-N 3.3Å; I86-Q88 PolarHBondContact O-N 3.05Å; Q88-I90 VanDerWaalsContact C-N 3.32Å; Q88-I90 PolarHBondContact O-N 3.24Å; Q88-R91 WeakPolarHBondContact O-CB 3.39Å; Q88-R91 PolarHBondContact O-N 3.18Å; Q88-D92 PolarHBondContact O-N 2.91Å; Q88-Y131 WeakPolarHBondContact CA-OH 3.38Å; Q88-Y131 WeakPolarHBondContact CB-OH 3.46Å; Q88-Y131 PolarHBondContact N-OH 3.31Å
89	N	90.6	Very high	89.9	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.032	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-38.4	178.2	-67.3	166.3	0	0	0	112.6	I85 I86 D92 V93 F167 C189 R190	I85-N89 VanDerWaalsContact O-CG 3.27Å; I85-N89 PolarHBondContact O-N 3.13Å; I86-N89 PolarHBondContact O-N 3.38Å; N89-D92 PolarHBondContact O-N 3.41Å; N89-V93 WeakPolarHBondContact O-CB 3.44Å; N89-V93 WeakPolarHBondContact O-CG2 3.47Å; N89-V93 PolarHBondContact O-N 2.98Å; N89-F167 HydrophobicContact CB-CE2 4.42Å; N89-C189 WeakPolarHBondContact OD1-CA 3.35Å; N89-C189 PolarHBondContact OD1-SG 3.22Å; N89-R190 PolarHBondContact ND2-O 3.48Å; N89-R190 PolarHBondContact OD1-N 2.89Å; N89-R190 PolarHBondContact OD1-O 2.72Å
90	I	91.2	Very high	89.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-47.8	174	-72.5	170.5	0	0	0	110.3	I86 K87 Q88 D92 V93 I94 F135 F136 V139 F167 M168 F171 I174	I86-I90 HydrophobicContact CG2-CD1 4.23Å; I86-I90 WeakPolarHBondContact O-CG1 3.44Å; I86-I90 PolarHBondContact O-N 3.34Å; K87-I90 PolarHBondContact O-N 2.84Å; Q88-I90 VanDerWaalsContact C-N 3.32Å; Q88-I90 PolarHBondContact O-N 3.24Å; I90-D92 PolarHBondContact O-N 3.46Å; I90-V93 WeakPolarHBondContact O-CB 3.35Å; I90-V93 PolarHBondContact O-N 3.4Å; I90-I94 WeakPolarHBondContact O-CG1 3.06Å; I90-I94 PolarHBondContact O-N 2.91Å; I90-I94 VanDerWaalsContact O-N 3.13Å; I90-F135 HydrophobicContact CG2-CE1 4.18Å; I90-F135 HydrophobicContact CG2-CZ 4.08Å; I90-F136 HydrophobicContact CD1-CE1 4.4Å; I90-V139 HydrophobicContact CG2-CG1 4.02Å; I90-F167 HydrophobicContact CG1-CB 4.22Å; I90-M168 HydrophobicContact CB-CE 4.35Å; I90-M168 HydrophobicContact CG1-CE 4.19Å; I90-M168 HydrophobicContact CG2-CE 4Å; I90-F171 HydrophobicContact CD1-CD2 4.46Å; I90-F171 HydrophobicContact CG2-CD2 4.43Å; I90-F171 HydrophobicContact CG2-CE2 4.02Å; I90-I174 HydrophobicContact CD1-CD1 4.06Å; I90-I174 HydrophobicContact CD1-CG2 3.9Å
91	R	89.3	Confident	89.4	Confident	25 Å²	25	27.9 Å²	27.9	9%	0.094	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-49.9	176.1	-176.2	-170.8	66.4	-178.4	3.4	111.2	K87 Q88 V93 I94 L95 L120 Y129 F135	K87-R91 PolarHBondContact O-N 3.12Å; Q88-R91 WeakPolarHBondContact O-CB 3.39Å; Q88-R91 PolarHBondContact O-N 3.18Å; R91-V93 VanDerWaalsContact C-N 3.27Å; R91-V93 PolarHBondContact O-N 3.41Å; R91-I94 PolarHBondContact O-N 2.87Å; R91-I94 VanDerWaalsContact O-N 3.15Å; R91-L95 HydrophobicContact CG-CD1 3.91Å; R91-L95 HydrophobicContact CG-CG 4.34Å; R91-L95 WeakPolarHBondContact O-CG 3.44Å; R91-L95 PolarHBondContact O-N 3.14Å; R91-L120 HydrophobicContact CG-CD1 4.45Å; R91-Y129 VanDerWaalsContact NH1-CB 3.28Å; R91-F135 HydrophobicContact CB-CE2 4.03Å; R91-F135 HydrophobicContact CB-CZ 3.92Å; R91-F135 HydrophobicContact CG-CE2 4.32Å
92	D	88.1	Confident	89.2	Confident	34 Å²	34	31.9 Å²	31.9	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-33.2	-177.5	-59	-16.6	0	0	0	111.9	Q88 N89 I90 S96 F161	Q88-D92 PolarHBondContact O-N 2.91Å; N89-D92 PolarHBondContact O-N 3.41Å; I90-D92 PolarHBondContact O-N 3.46Å; D92-S96 VanDerWaalsContact O-CB 3.3Å; D92-S96 WeakPolarHBondContact O-CB 3.24Å; D92-S96 PolarHBondContact O-N 3.02Å; D92-S96 PolarHBondContact O-OG 3.2Å; D92-F161 HydrophobicContact CB-CE2 4Å
93	V	90.1	Very high	88.9	Confident	3 Å²	3	35 Å²	35	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-49.8	172.4	162.4	0	0	0	0	110.7	N89 I90 R91 S96 I97 L160 A164 M168	N89-V93 WeakPolarHBondContact O-CB 3.44Å; N89-V93 WeakPolarHBondContact O-CG2 3.47Å; N89-V93 PolarHBondContact O-N 2.98Å; I90-V93 WeakPolarHBondContact O-CB 3.35Å; I90-V93 PolarHBondContact O-N 3.4Å; R91-V93 VanDerWaalsContact C-N 3.27Å; R91-V93 PolarHBondContact O-N 3.41Å; V93-S96 PolarHBondContact O-N 3.35Å; V93-I97 HydrophobicContact CG1-CD1 4.08Å; V93-I97 WeakPolarHBondContact O-CG1 3.37Å; V93-I97 PolarHBondContact O-N 3.36Å; V93-L160 HydrophobicContact CG1-CD1 4.22Å; V93-A164 HydrophobicContact CB-CB 4.38Å; V93-A164 HydrophobicContact CG1-CB 3.75Å; V93-A164 HydrophobicContact CG2-CB 3.67Å; V93-M168 HydrophobicContact CB-CE 4.28Å; V93-M168 HydrophobicContact CG1-CE 3.81Å; V93-M168 HydrophobicContact CG1-CG 4.24Å; V93-M168 HydrophobicContact CG1-SD 4.23Å
94	I	90.8	Very high	88.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-48.4	178.5	-62.9	-63	0	0	0	110.5	I90 R91 S96 I97 L98 L120 V139 I142 W143 M168	I90-I94 WeakPolarHBondContact O-CG1 3.06Å; I90-I94 PolarHBondContact O-N 2.91Å; I90-I94 VanDerWaalsContact O-N 3.13Å; R91-I94 PolarHBondContact O-N 2.87Å; R91-I94 VanDerWaalsContact O-N 3.15Å; I94-S96 VanDerWaalsContact C-N 3.27Å; I94-S96 PolarHBondContact O-N 2.89Å; I94-I97 PolarHBondContact O-N 2.85Å; I94-L98 HydrophobicContact CG2-CD1 3.89Å; I94-L98 HydrophobicContact CG2-CG 4.15Å; I94-L98 VanDerWaalsContact O-CG 3.28Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.8Å; I94-L120 HydrophobicContact CB-CD2 4.35Å; I94-L120 HydrophobicContact CG2-CD2 3.7Å; I94-V139 HydrophobicContact CD1-CG1 4.01Å; I94-V139 HydrophobicContact CG1-CG1 3.78Å; I94-V139 HydrophobicContact CG1-CG2 4.42Å; I94-I142 HydrophobicContact CG2-CG2 3.87Å; I94-W143 HydrophobicContact CD1-CE3 4.16Å; I94-M168 HydrophobicContact CD1-SD 4.15Å
95	L	89.2	Confident	88.6	Confident	36 Å²	36	39.5 Å²	39.5	19%	0.188	21%	0.205	C	C	.	.	H	α-helix	trans	-57.4	-39.3	177.4	-68	172.8	0	0	0	112.6	R91 L98 G99 I121	R91-L95 HydrophobicContact CG-CD1 3.91Å; R91-L95 HydrophobicContact CG-CG 4.34Å; R91-L95 WeakPolarHBondContact O-CG 3.44Å; R91-L95 PolarHBondContact O-N 3.14Å; L95-L98 HydrophobicContact CD2-CD1 4.48Å; L95-L98 PolarHBondContact O-N 3.28Å; L95-G99 PolarHBondContact O-N 2.85Å; L95-I121 HydrophobicContact CD2-CB 4.44Å; L95-I121 HydrophobicContact CD2-CG1 3.75Å
96	S	87.3	Confident	88.4	Confident	30 Å²	30	40.3 Å²	40.3	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-40.7	175.9	-59.5	0	0	0	0	111.7	D92 V93 I94 G99 G100	D92-S96 VanDerWaalsContact O-CB 3.3Å; D92-S96 WeakPolarHBondContact O-CB 3.24Å; D92-S96 PolarHBondContact O-N 3.02Å; D92-S96 PolarHBondContact O-OG 3.2Å; V93-S96 PolarHBondContact O-N 3.35Å; I94-S96 VanDerWaalsContact C-N 3.27Å; I94-S96 PolarHBondContact O-N 2.89Å; S96-G99 PolarHBondContact O-N 3.33Å; S96-G100 PolarHBondContact O-N 3.5Å
97	I	89.7	Confident	88.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-40.8	176.3	-63.5	166.9	0	0	0	110.9	V93 I94 G99 G100 M101 W143 V148 A151 Y152 F158 L160	V93-I97 HydrophobicContact CG1-CD1 4.08Å; V93-I97 WeakPolarHBondContact O-CG1 3.37Å; V93-I97 PolarHBondContact O-N 3.36Å; I94-I97 PolarHBondContact O-N 2.85Å; I97-G99 VanDerWaalsContact C-N 3.34Å; I97-G99 PolarHBondContact O-N 2.98Å; I97-G100 CarbonylContact O-C 3.42Å; I97-G100 WeakPolarHBondContact O-CA 3.38Å; I97-G100 PolarHBondContact O-N 3.32Å; I97-G100 VanDerWaalsContact O-N 3.08Å; I97-M101 WeakPolarHBondContact O-CG 3.33Å; I97-M101 PolarHBondContact O-N 3.39Å; I97-W143 HydrophobicContact CD1-CE3 4.4Å; I97-W143 HydrophobicContact CD1-CZ3 3.74Å; I97-V148 HydrophobicContact CG2-CG1 3.84Å; I97-A151 HydrophobicContact CG2-CB 3.91Å; I97-Y152 HydrophobicContact CD1-CD2 4.03Å; I97-F158 HydrophobicContact CG1-CE2 4.23Å; I97-F158 HydrophobicContact CG1-CZ 4.29Å; I97-L160 HydrophobicContact CD1-CD1 4.38Å; I97-L160 HydrophobicContact CG1-CD1 3.9Å; I97-L160 HydrophobicContact CG1-CD2 4.38Å
98	L	89.5	Confident	87.9	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-40.3	175.7	-62	174.1	0	0	0	111.4	I94 L95 G100 M101 K102 F108 A117 I121 I142 V148	I94-L98 HydrophobicContact CG2-CD1 3.89Å; I94-L98 HydrophobicContact CG2-CG 4.15Å; I94-L98 VanDerWaalsContact O-CG 3.28Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.8Å; L95-L98 HydrophobicContact CD2-CD1 4.48Å; L95-L98 PolarHBondContact O-N 3.28Å; L98-G100 VanDerWaalsContact C-N 3.32Å; L98-M101 HydrophobicContact CD2-SD 4.21Å; L98-M101 WeakPolarHBondContact O-CB 3.47Å; L98-M101 PolarHBondContact O-N 2.86Å; L98-K102 PolarHBondContact O-N 3.35Å; L98-F108 HydrophobicContact CD2-CE1 3.73Å; L98-F108 HydrophobicContact CD2-CZ 3.61Å; L98-A117 HydrophobicContact CD1-CB 4.03Å; L98-A117 HydrophobicContact CD2-CB 3.93Å; L98-I121 HydrophobicContact CD1-CD1 4.21Å; L98-I121 HydrophobicContact CD1-CG1 4.19Å; L98-I142 HydrophobicContact CD2-CG2 4.14Å; L98-V148 HydrophobicContact CD2-CG2 4.47Å
99	G	86.4	Confident	87.7	Confident	38 Å²	38	49.1 Å²	49.1	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-37.6	170.3	0	0	0	0	0	112.8	L95 S96 I97 K102 T103	L95-G99 PolarHBondContact O-N 2.85Å; S96-G99 PolarHBondContact O-N 3.33Å; I97-G99 VanDerWaalsContact C-N 3.34Å; I97-G99 PolarHBondContact O-N 2.98Å; G99-K102 PolarHBondContact O-N 3.12Å; G99-T103 PolarHBondContact O-N 2.94Å; G99-T103 VanDerWaalsContact O-N 3.12Å; G99-T103 PolarHBondContact O-OG1 3.1Å
100	G	85.6	Confident	87.5	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-45.3	171.2	0	0	0	0	0	112.6	S96 I97 L98 K102 T103 L104	S96-G100 PolarHBondContact O-N 3.5Å; I97-G100 CarbonylContact O-C 3.42Å; I97-G100 WeakPolarHBondContact O-CA 3.38Å; I97-G100 PolarHBondContact O-N 3.32Å; I97-G100 VanDerWaalsContact O-N 3.08Å; L98-G100 VanDerWaalsContact C-N 3.32Å; G100-K102 VanDerWaalsContact C-N 3.33Å; G100-K102 PolarHBondContact O-N 2.99Å; G100-T103 WeakPolarHBondContact O-CB 3.45Å; G100-T103 PolarHBondContact O-N 3.16Å; G100-T103 VanDerWaalsContact O-N 3.1Å; G100-L104 WeakPolarHBondContact O-CB 3.32Å; G100-L104 VanDerWaalsContact O-CG 3.28Å; G100-L104 WeakPolarHBondContact O-CG 3.48Å; G100-L104 PolarHBondContact O-N 3.49Å
101	M	88.9	Confident	87.1	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-45.5	176.2	-74.3	179.4	72.1	0	0	111.8	I97 L98 T103 L104 Q105 L106 F108 V148 A151	I97-M101 WeakPolarHBondContact O-CG 3.33Å; I97-M101 PolarHBondContact O-N 3.39Å; L98-M101 HydrophobicContact CD2-SD 4.21Å; L98-M101 WeakPolarHBondContact O-CB 3.47Å; L98-M101 PolarHBondContact O-N 2.86Å; M101-T103 VanDerWaalsContact C-N 3.31Å; M101-T103 PolarHBondContact O-N 2.98Å; M101-L104 CarbonylContact O-C 3.51Å; M101-L104 PolarHBondContact O-N 3.18Å; M101-Q105 PolarHBondContact O-N 2.88Å; M101-L106 HydrophobicContact CB-CB 4.34Å; M101-L106 HydrophobicContact CE-CB 4.46Å; M101-L106 HydrophobicContact CG-CB 4.4Å; M101-L106 PolarHBondContact O-N 3.1Å; M101-F108 HydrophobicContact CE-CD1 3.75Å; M101-F108 HydrophobicContact CE-CD2 4.32Å; M101-F108 HydrophobicContact CE-CE1 3.68Å; M101-F108 HydrophobicContact CE-CE2 4.25Å; M101-F108 HydrophobicContact CE-CG 4.07Å; M101-F108 HydrophobicContact CE-CZ 3.92Å; M101-F108 HydrophobicContact SD-CD1 4.4Å; M101-F108 HydrophobicContact SD-CE1 3.77Å; M101-F108 HydrophobicContact SD-CZ 4Å; M101-V148 HydrophobicContact CE-CG2 4.28Å; M101-V148 HydrophobicContact SD-CB 4.25Å; M101-V148 HydrophobicContact SD-CG2 3.49Å; M101-V148 WeakPolarHBondContact SD-CG2 3.46Å; M101-A151 HydrophobicContact CG-CB 3.4Å; M101-A151 VanDerWaalsContact CG-CB 3.4Å
102	K	87	Confident	87	Confident	181 Å²	181	64.5 Å²	64.5	79%	0.787	33%	0.329	S	S	*	.	H	α-helix	trans	-61.6	-39.6	176.4	-173.5	177.1	-178.8	177	0	112.2	L98 G99 G100 Q105	L98-K102 PolarHBondContact O-N 3.35Å; G99-K102 PolarHBondContact O-N 3.12Å; G100-K102 VanDerWaalsContact C-N 3.33Å; G100-K102 PolarHBondContact O-N 2.99Å; K102-Q105 PolarHBondContact O-N 3.41Å
103	T	84.3	Confident	86.9	Confident	102 Å²	102	62.9 Å²	62.9	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-69.4	-39.5	178.9	-54.7	0	0	0	0	111.7	G99 G100 M101 Q105	G99-T103 PolarHBondContact O-N 2.94Å; G99-T103 VanDerWaalsContact O-N 3.12Å; G99-T103 PolarHBondContact O-OG1 3.1Å; G100-T103 WeakPolarHBondContact O-CB 3.45Å; G100-T103 PolarHBondContact O-N 3.16Å; G100-T103 VanDerWaalsContact O-N 3.1Å; M101-T103 VanDerWaalsContact C-N 3.31Å; M101-T103 PolarHBondContact O-N 2.98Å; T103-Q105 VanDerWaalsContact C-N 3.27Å; T103-Q105 PolarHBondContact O-N 3.02Å
104	L	87	Confident	86.6	Confident	25 Å²	25	63.6 Å²	63.6	13%	0.131	33%	0.326	C	S	.	.	H	α-helix	trans	-83	-1.7	179.2	-63.2	178.8	0	0	0	113.5	G100 M101 L106 R154 E157 F158	G100-L104 WeakPolarHBondContact O-CB 3.32Å; G100-L104 VanDerWaalsContact O-CG 3.28Å; G100-L104 WeakPolarHBondContact O-CG 3.48Å; G100-L104 PolarHBondContact O-N 3.49Å; M101-L104 CarbonylContact O-C 3.51Å; M101-L104 PolarHBondContact O-N 3.18Å; L104-L106 VanDerWaalsContact C-N 3.25Å; L104-L106 HydrophobicContact CB-CD1 3.97Å; L104-L106 HydrophobicContact CB-CG 3.89Å; L104-L106 HydrophobicContact CD1-CD1 4.06Å; L104-L106 PolarHBondContact O-N 2.91Å; L104-R154 HydrophobicContact CD1-CB 3.75Å; L104-E157 HydrophobicContact CD2-CB 4.05Å; L104-E157 WeakPolarHBondContact CD2-OE2 3.3Å; L104-F158 HydrophobicContact CD1-CD1 4.24Å; L104-F158 HydrophobicContact CD1-CE1 4.11Å
105	Q	85.8	Confident	86.5	Confident	175 Å²	175	67.8 Å²	67.8	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	41.7	-175.2	-57.7	177	-11.6	0	0	112.3	M101 K102 T103	M101-Q105 PolarHBondContact O-N 2.88Å; K102-Q105 PolarHBondContact O-N 3.41Å; T103-Q105 VanDerWaalsContact C-N 3.27Å; T103-Q105 PolarHBondContact O-N 3.02Å
106	L	85.9	Confident	86.3	Confident	38 Å²	38	67.8 Å²	67.8	20%	0.199	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-93.6	133.5	175.5	-65.2	174.1	0	0	0	110	M101 L104 R150 A151	M101-L106 HydrophobicContact CB-CB 4.34Å; M101-L106 HydrophobicContact CE-CB 4.46Å; M101-L106 HydrophobicContact CG-CB 4.4Å; M101-L106 PolarHBondContact O-N 3.1Å; L104-L106 VanDerWaalsContact C-N 3.25Å; L104-L106 HydrophobicContact CB-CD1 3.97Å; L104-L106 HydrophobicContact CB-CG 3.89Å; L104-L106 HydrophobicContact CD1-CD1 4.06Å; L104-L106 PolarHBondContact O-N 2.91Å; L106-R150 HydrophobicContact CD1-CB 4.27Å; L106-A151 HydrophobicContact CD1-CB 3.81Å
107	E	85.7	Confident	86.2	Confident	168 Å²	168	66.4 Å²	66.4	79%	0.785	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-95.4	151.1	176	-63.3	-177.6	167.4	0	0	110.9
108	F	85.2	Confident	86	Confident	62 Å²	62	72 Å²	72	27%	0.272	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-67.4	140.6	167.1	-61.1	-84.1	0	0	0	109.1	L98 M101 A114 A117 V148	L98-F108 HydrophobicContact CD2-CE1 3.73Å; L98-F108 HydrophobicContact CD2-CZ 3.61Å; M101-F108 HydrophobicContact CE-CD1 3.75Å; M101-F108 HydrophobicContact CE-CD2 4.32Å; M101-F108 HydrophobicContact CE-CE1 3.68Å; M101-F108 HydrophobicContact CE-CE2 4.25Å; M101-F108 HydrophobicContact CE-CG 4.07Å; M101-F108 HydrophobicContact CE-CZ 3.92Å; M101-F108 HydrophobicContact SD-CD1 4.4Å; M101-F108 HydrophobicContact SD-CE1 3.77Å; M101-F108 HydrophobicContact SD-CZ 4Å; F108-A114 HydrophobicContact CB-CB 4.12Å; F108-A114 HydrophobicContact CD2-CB 3.67Å; F108-A114 HydrophobicContact CE2-CB 4.33Å; F108-A114 HydrophobicContact CG-CB 3.96Å; F108-A117 HydrophobicContact CE1-CB 4.04Å; F108-A117 HydrophobicContact CE2-CB 4.45Å; F108-A117 HydrophobicContact CZ-CB 3.73Å; F108-V148 HydrophobicContact CD1-CG2 4.32Å; F108-V148 HydrophobicContact CE1-CG2 3.96Å
109	I	85	Confident	85.8	Confident	90 Å²	90	73.8 Å²	73.8	46%	0.462	38%	0.377	S	S	.	.	S	Bend	trans	-83.5	-33.1	177.3	-67.1	161.7	0	0	0	109.9	D145 P146	I109-D145 PolarHBondContact N-OD1 2.9Å; I109-D145 PolarHBondContact N-OD2 3.43Å; I109-P146 HydrophobicContact CD1-CB 3.43Å; I109-P146 VanDerWaalsContact CD1-CB 3.43Å; I109-P146 HydrophobicContact CD1-CG 3.59Å
110	Q	84.9	Confident	85.7	Confident	91 Å²	91	72 Å²	72	43%	0.425	36%	0.358	S	S	.	.	S	Bend	trans	-98.9	133.3	178	-57.7	-179.6	12.4	0	0	110.1	R112 T113 D145	Q110-R112 VanDerWaalsContact C-N 3.29Å; Q110-R112 PolarHBondContact O-N 2.85Å; Q110-T113 HydrophobicContact CB-CG2 3.89Å; Q110-T113 PolarHBondContact O-OG1 3.36Å; Q110-D145 PolarHBondContact N-OD2 3.4Å
111	S	83.8	Confident	85.5	Confident	97 Å²	97	75.4 Å²	75.4	68%	0.678	38%	0.375	S	S	*	.	H	α-helix	trans	-67.3	-33	178.1	-170.6	0	0	0	0	112.1	A114 D115	S111-A114 WeakPolarHBondContact O-CB 3.46Å; S111-A114 PolarHBondContact O-N 2.84Å; S111-D115 PolarHBondContact O-N 2.88Å
112	R	87.2	Confident	85.1	Confident	167 Å²	167	80.3 Å²	80.3	63%	0.63	40%	0.402	S	S	*	.	H	α-helix	trans	-66.8	-39.8	-179.5	-178.1	177.3	154.5	165.5	-4.9	112.1	Q110 A114 D115 L116 E141	Q110-R112 VanDerWaalsContact C-N 3.29Å; Q110-R112 PolarHBondContact O-N 2.85Å; R112-A114 VanDerWaalsContact C-N 3.27Å; R112-A114 PolarHBondContact O-N 3.34Å; R112-D115 PolarHBondContact O-N 3.32Å; R112-L116 WeakPolarHBondContact O-CG 3.42Å; R112-L116 PolarHBondContact O-N 3.02Å; R112-L116 VanDerWaalsContact O-N 3.11Å; R112-E141 WeakPolarHBondContact CD-OE1 3.39Å; R112-E141 VanDerWaalsContact CG-OE1 3.27Å; R112-E141 WeakPolarHBondContact CG-OE1 3.22Å; R112-E141 IonicContact CZ-OE1 3.01Å; R112-E141 IonicContact CZ-OE2 3.52Å; R112-E141 VanDerWaalsContact CZ-OE2 3.28Å; R112-E141 VanDerWaalsContact NE-CD 3.35Å; R112-E141 IonicContact NE-OE1 3.63Å; R112-E141 PolarHBondContact NE-OE1 3.24Å; R112-E141 IonicContact NE-OE2 2.73Å; R112-E141 PolarHBondContact NE-OE2 3.39Å; R112-E141 VanDerWaalsContact NE-OE2 3.15Å; R112-E141 IonicContact NH2-OE1 2.63Å; R112-E141 IonicContact NH2-OE2 3.79Å; R112-E141 PolarHBondContact NH2-OE2 3.3Å
113	T	86.1	Confident	84.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-33.2	178.2	57.4	0	0	0	0	111.4	Q110 D115 L116 A117 E141 D145	Q110-T113 HydrophobicContact CB-CG2 3.89Å; Q110-T113 PolarHBondContact O-OG1 3.36Å; T113-D115 PolarHBondContact O-N 3.1Å; T113-L116 PolarHBondContact O-N 3.06Å; T113-A117 VanDerWaalsContact O-CB 3.27Å; T113-A117 WeakPolarHBondContact O-CB 3.44Å; T113-A117 PolarHBondContact O-N 3.21Å; T113-E141 HydrophobicContact CG2-CG 4.18Å; T113-D145 HydrophobicContact CG2-CB 4.1Å; T113-D145 PolarHBondContact OG1-OD2 3.31Å
114	A	84.5	Confident	84.1	Confident	18 Å²	18	71.4 Å²	71.4	15%	0.149	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-38.1	175.2	0	0	0	0	0	112.7	F108 S111 R112 K118	F108-A114 HydrophobicContact CB-CB 4.12Å; F108-A114 HydrophobicContact CD2-CB 3.67Å; F108-A114 HydrophobicContact CE2-CB 4.33Å; F108-A114 HydrophobicContact CG-CB 3.96Å; S111-A114 WeakPolarHBondContact O-CB 3.46Å; S111-A114 PolarHBondContact O-N 2.84Å; R112-A114 VanDerWaalsContact C-N 3.27Å; R112-A114 PolarHBondContact O-N 3.34Å; A114-K118 VanDerWaalsContact O-CG 3.31Å; A114-K118 WeakPolarHBondContact O-CG 3.49Å; A114-K118 PolarHBondContact O-N 2.85Å; A114-K118 VanDerWaalsContact O-N 3.12Å
115	D	87.2	Confident	83.1	Confident	89 Å²	89	76.9 Å²	76.9	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-75.6	-37.2	178.8	-66.4	-29.3	0	0	0	111.9	S111 R112 T113 K118 S119	S111-D115 PolarHBondContact O-N 2.88Å; R112-D115 PolarHBondContact O-N 3.32Å; T113-D115 PolarHBondContact O-N 3.1Å; D115-K118 PolarHBondContact O-N 3.34Å; D115-K118 IonicContact OD1-NZ 3.94Å; D115-K118 PolarHBondContact OD1-NZ 3.47Å; D115-S119 PolarHBondContact O-N 3.26Å
116	L	86.2	Confident	82.3	Confident	35 Å²	35	71.1 Å²	71.1	18%	0.183	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-43.3	170.3	-68.6	177.8	0	0	0	111.9	R112 T113 K118 S119 L120 E138 E141 I142	R112-L116 WeakPolarHBondContact O-CG 3.42Å; R112-L116 PolarHBondContact O-N 3.02Å; R112-L116 VanDerWaalsContact O-N 3.11Å; T113-L116 PolarHBondContact O-N 3.06Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 2.98Å; L116-S119 WeakPolarHBondContact O-CB 3.42Å; L116-S119 PolarHBondContact O-N 3.03Å; L116-L120 WeakPolarHBondContact O-CB 3.5Å; L116-L120 PolarHBondContact O-N 3.43Å; L116-E138 HydrophobicContact CD2-CG 4.2Å; L116-E141 HydrophobicContact CD1-CB 4.09Å; L116-E141 HydrophobicContact CD1-CG 4.07Å; L116-E141 WeakPolarHBondContact CD1-OE2 3.23Å; L116-I142 HydrophobicContact CB-CD1 4.21Å; L116-I142 HydrophobicContact CB-CG1 4.2Å
117	A	85.1	Confident	81.1	Confident	2 Å²	2	78.7 Å²	78.7	2%	0.017	41%	0.407	C	S	.	.	H	α-helix	trans	-61.3	-40.4	177	0	0	0	0	0	112.1	L98 F108 T113 L120 I121	L98-A117 HydrophobicContact CD1-CB 4.03Å; L98-A117 HydrophobicContact CD2-CB 3.93Å; F108-A117 HydrophobicContact CE1-CB 4.04Å; F108-A117 HydrophobicContact CE2-CB 4.45Å; F108-A117 HydrophobicContact CZ-CB 3.73Å; T113-A117 VanDerWaalsContact O-CB 3.27Å; T113-A117 WeakPolarHBondContact O-CB 3.44Å; T113-A117 PolarHBondContact O-N 3.21Å; A117-L120 PolarHBondContact O-N 3.49Å; A117-I121 WeakPolarHBondContact O-CD1 3.49Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.06Å
118	K	85.7	Confident	80	Confident	118 Å²	118	77.7 Å²	77.7	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-62.4	-49.1	174	-70.2	168.8	-158.8	156.7	0	111.3	A114 D115 L116 L120 I121 D122	A114-K118 VanDerWaalsContact O-CG 3.31Å; A114-K118 WeakPolarHBondContact O-CG 3.49Å; A114-K118 PolarHBondContact O-N 2.85Å; A114-K118 VanDerWaalsContact O-N 3.12Å; D115-K118 PolarHBondContact O-N 3.34Å; D115-K118 IonicContact OD1-NZ 3.94Å; D115-K118 PolarHBondContact OD1-NZ 3.47Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 2.98Å; K118-L120 VanDerWaalsContact C-N 3.29Å; K118-L120 PolarHBondContact O-N 3.15Å; K118-I121 PolarHBondContact O-N 3.19Å; K118-I121 VanDerWaalsContact O-N 3.12Å; K118-D122 PolarHBondContact O-N 2.97Å
119	S	84	Confident	79.2	Confident	49 Å²	49	76.2 Å²	76.2	34%	0.343	40%	0.399	S	S	.	.	H	α-helix	trans	-54.7	-45.7	176.7	-179.2	0	0	0	0	111.7	D115 L116 I121 D122 N123	D115-S119 PolarHBondContact O-N 3.26Å; L116-S119 WeakPolarHBondContact O-CB 3.42Å; L116-S119 PolarHBondContact O-N 3.03Å; S119-I121 PolarHBondContact O-N 3.33Å; S119-D122 PolarHBondContact O-N 3.18Å; S119-N123 WeakPolarHBondContact O-CB 3.43Å; S119-N123 PolarHBondContact O-N 3.5Å; S119-N123 PolarHBondContact O-ND2 3.4Å
120	L	83.8	Confident	78.4	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-64.8	-38.5	178.8	-171.2	67.2	0	0	0	112.7	R91 I94 L116 A117 K118 S124 F135 I142	R91-L120 HydrophobicContact CG-CD1 4.45Å; I94-L120 HydrophobicContact CB-CD2 4.35Å; I94-L120 HydrophobicContact CG2-CD2 3.7Å; L116-L120 WeakPolarHBondContact O-CB 3.5Å; L116-L120 PolarHBondContact O-N 3.43Å; A117-L120 PolarHBondContact O-N 3.49Å; K118-L120 VanDerWaalsContact C-N 3.29Å; K118-L120 PolarHBondContact O-N 3.15Å; L120-S124 WeakPolarHBondContact O-CB 3.31Å; L120-S124 PolarHBondContact O-N 3.25Å; L120-S124 VanDerWaalsContact O-N 3.08Å; L120-F135 HydrophobicContact CD1-CD2 4.29Å; L120-F135 HydrophobicContact CD1-CE2 4.1Å; L120-I142 HydrophobicContact CD2-CD1 3.97Å
121	I	82.5	Confident	78	Confident	73 Å²	73	75.8 Å²	75.8	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-47.5	176	-69.6	163.5	0	0	0	110.4	L95 L98 A117 K118 S119 N123 S124	L95-I121 HydrophobicContact CD2-CB 4.44Å; L95-I121 HydrophobicContact CD2-CG1 3.75Å; L98-I121 HydrophobicContact CD1-CD1 4.21Å; L98-I121 HydrophobicContact CD1-CG1 4.19Å; A117-I121 WeakPolarHBondContact O-CD1 3.49Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.06Å; K118-I121 PolarHBondContact O-N 3.19Å; K118-I121 VanDerWaalsContact O-N 3.12Å; S119-I121 PolarHBondContact O-N 3.33Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.42Å; I121-S124 WeakPolarHBondContact O-CB 3.43Å; I121-S124 PolarHBondContact O-N 3.05Å; I121-S124 VanDerWaalsContact O-N 3.13Å; I121-S124 PolarHBondContact O-OG 2.75Å
122	D	80.5	Confident	77.6	Confident	107 Å²	107	73.6 Å²	73.6	57%	0.572	39%	0.386	S	S	*	.	H	α-helix	trans	-62.8	-42.4	-179.3	-67.8	-21	0	0	0	111	K118 S119 S124 L125	K118-D122 PolarHBondContact O-N 2.97Å; S119-D122 PolarHBondContact O-N 3.18Å; D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.91Å; D122-L125 PolarHBondContact O-N 3.17Å
123	N	77.9	Confident	76.9	Confident	63 Å²	63	74.6 Å²	74.6	34%	0.337	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-28.9	175.7	-79.8	-19.4	0	0	0	113.8	S119 I121 L125 A126 Y129	S119-N123 WeakPolarHBondContact O-CB 3.43Å; S119-N123 PolarHBondContact O-N 3.5Å; S119-N123 PolarHBondContact O-ND2 3.4Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.42Å; N123-L125 PolarHBondContact O-N 2.82Å; N123-A126 PolarHBondContact O-N 2.9Å; N123-Y129 HydrophobicContact CB-CD2 3.96Å; N123-Y129 HydrophobicContact CB-CE2 3.46Å; N123-Y129 VanDerWaalsContact CB-CE2 3.46Å; N123-Y129 WeakPolarHBondContact O-CD2 3.4Å
124	S	72.1	Confident	76.8	Confident	33 Å²	33	77.8 Å²	77.8	23%	0.231	42%	0.418	C	S	.	.	H	α-helix	trans	-68.9	-17.6	179.9	76.2	0	0	0	0	113.9	L120 I121 D122 A126	L120-S124 WeakPolarHBondContact O-CB 3.31Å; L120-S124 PolarHBondContact O-N 3.25Å; L120-S124 VanDerWaalsContact O-N 3.08Å; I121-S124 WeakPolarHBondContact O-CB 3.43Å; I121-S124 PolarHBondContact O-N 3.05Å; I121-S124 VanDerWaalsContact O-N 3.13Å; I121-S124 PolarHBondContact O-OG 2.75Å; D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.91Å; S124-A126 VanDerWaalsContact C-N 3.3Å
125	L	66.3	Low	76.9	Confident	140 Å²	140	77 Å²	77	73%	0.733	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.4	178.1	-62.2	172.7	0	0	0	113	D122 N123 E127	D122-L125 PolarHBondContact O-N 3.17Å; N123-L125 PolarHBondContact O-N 2.82Å; L125-E127 PolarHBondContact O-N 3.08Å
126	A	69	Low	76.9	Confident	53 Å²	53	73.8 Å²	73.8	44%	0.438	39%	0.393	S	S	.	.			trans	-75.8	123	174.8	0	0	0	0	0	110.2	N123 S124 D128 Y129	N123-A126 PolarHBondContact O-N 2.9Å; S124-A126 VanDerWaalsContact C-N 3.3Å; A126-D128 PolarHBondContact O-N 3.33Å; A126-Y129 PolarHBondContact O-N 2.85Å
127	E	59.5	Low	77	Confident	197 Å²	197	75.8 Å²	75.8	92%	0.921	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	-179.8	-67.3	-176	166.1	0	0	112.3	L125	L125-E127 PolarHBondContact O-N 3.08Å
128	D	64.5	Low	77.2	Confident	147 Å²	147	77.1 Å²	77.1	79%	0.786	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	55	179.8	-68.4	-35.1	0	0	0	112.4	A126 T130	A126-D128 PolarHBondContact O-N 3.33Å; D128-T130 PolarHBondContact O-N 3.03Å; D128-T130 PolarHBondContact O-OG1 3.48Å
129	Y	66.7	Low	77.4	Confident	31 Å²	31	71.5 Å²	71.5	12%	0.122	39%	0.385	C	S	.	.			trans	-62	107	178.2	-172.9	-112.1	0	0	0	111.7	R91 N123 A126 Y131 P132 F135	R91-Y129 VanDerWaalsContact NH1-CB 3.28Å; N123-Y129 HydrophobicContact CB-CD2 3.96Å; N123-Y129 HydrophobicContact CB-CE2 3.46Å; N123-Y129 VanDerWaalsContact CB-CE2 3.46Å; N123-Y129 WeakPolarHBondContact O-CD2 3.4Å; A126-Y129 PolarHBondContact O-N 2.85Å; Y129-Y131 AromaticContact CD1-CD1 3.79Å; Y129-Y131 HydrophobicContact CD1-CD1 3.79Å; Y129-Y131 AromaticContact CD1-CE1 3.7Å; Y129-Y131 HydrophobicContact CD1-CE1 3.7Å; Y129-Y131 HydrophobicContact CD1-CG 4.23Å; Y129-Y131 AromaticContact CE1-CD1 3.6Å; Y129-Y131 HydrophobicContact CE1-CD1 3.6Å; Y129-Y131 AromaticContact CE1-CE1 3.85Å; Y129-Y131 HydrophobicContact CE1-CE1 3.85Å; Y129-Y131 HydrophobicContact CE1-CG 4.22Å; Y129-P132 WeakPolarHBondContact OH-CD 3.31Å; Y129-F135 HydrophobicContact CE1-CD2 4.25Å
130	T	70	Confident	77.7	Confident	126 Å²	126	71 Å²	71	77%	0.773	38%	0.378	S	S	*	.			trans	-83.5	114.4	172.9	-13.1	0	0	0	0	107.9	D128 P132	D128-T130 PolarHBondContact O-N 3.03Å; D128-T130 PolarHBondContact O-OG1 3.48Å; T130-P132 WeakPolarHBondContact O-CD 3.32Å; T130-P132 VanDerWaalsContact O-N 3.15Å
131	Y	75.5	Confident	78	Confident	47 Å²	47	73 Å²	73	18%	0.184	39%	0.388	C	S	.	.			trans	-66.9	109.6	-177.4	-62	-87.3	0	0	0	110.9	K87 Q88 Y129 F135	K87-Y131 HydrophobicContact CB-CD1 3.85Å; K87-Y131 HydrophobicContact CB-CD2 4.12Å; K87-Y131 HydrophobicContact CB-CE1 3.68Å; K87-Y131 HydrophobicContact CB-CE2 3.97Å; K87-Y131 HydrophobicContact CB-CG 4.1Å; K87-Y131 HydrophobicContact CD-CD1 4.26Å; K87-Y131 HydrophobicContact CD-CD2 3.93Å; K87-Y131 HydrophobicContact CD-CG 3.8Å; Q88-Y131 WeakPolarHBondContact CA-OH 3.38Å; Q88-Y131 WeakPolarHBondContact CB-OH 3.46Å; Q88-Y131 PolarHBondContact N-OH 3.31Å; Y129-Y131 AromaticContact CD1-CD1 3.79Å; Y129-Y131 HydrophobicContact CD1-CD1 3.79Å; Y129-Y131 AromaticContact CD1-CE1 3.7Å; Y129-Y131 HydrophobicContact CD1-CE1 3.7Å; Y129-Y131 HydrophobicContact CD1-CG 4.23Å; Y129-Y131 AromaticContact CE1-CD1 3.6Å; Y129-Y131 HydrophobicContact CE1-CD1 3.6Å; Y129-Y131 AromaticContact CE1-CE1 3.85Å; Y129-Y131 HydrophobicContact CE1-CE1 3.85Å; Y129-Y131 HydrophobicContact CE1-CG 4.22Å; Y131-F135 AromaticContact CD1-CD1 3.99Å; Y131-F135 HydrophobicContact CD1-CD1 3.99Å; Y131-F135 HydrophobicContact CD1-CD2 4.07Å; Y131-F135 AromaticContact CD1-CE1 4Å; Y131-F135 HydrophobicContact CD1-CE1 4Å; Y131-F135 HydrophobicContact CD1-CE2 4.07Å; Y131-F135 HydrophobicContact CD1-CG 4.01Å; Y131-F135 HydrophobicContact CD1-CZ 4.03Å; Y131-F135 HydrophobicContact CE1-CE1 4.39Å; Y131-F135 HydrophobicContact CE1-CE2 4.27Å; Y131-F135 HydrophobicContact CE1-CZ 4.11Å
132	P	74.7	Confident	78.4	Confident	51 Å²	51	69.6 Å²	69.6	33%	0.331	37%	0.37	S	S	.	.			trans	-66.3	160	176.7	29.4	-35.1	0	0	0	110.8	Y129 T130 T134 F135	Y129-P132 WeakPolarHBondContact OH-CD 3.31Å; T130-P132 WeakPolarHBondContact O-CD 3.32Å; T130-P132 VanDerWaalsContact O-N 3.15Å; P132-T134 PolarHBondContact O-N 3.05Å; P132-F135 HydrophobicContact CG-CB 4.16Å; P132-F135 WeakPolarHBondContact O-CB 3.24Å; P132-F135 PolarHBondContact O-N 2.92Å
133	E	74.1	Confident	78.9	Confident	188 Å²	188	66.2 Å²	66.2	88%	0.879	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.6	174.7	-65.6	-170	163.7	0	0	111.9	F135	E133-F135 PolarHBondContact O-N 2.82Å
134	T	82.6	Confident	79.5	Confident	67 Å²	67	69 Å²	69	41%	0.411	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14	175.6	60.6	0	0	0	0	113.8	P132 F136 D137 E138	P132-T134 PolarHBondContact O-N 3.05Å; T134-F136 VanDerWaalsContact C-N 3.29Å; T134-F136 PolarHBondContact O-N 3.39Å; T134-D137 WeakPolarHBondContact O-CB 3.29Å; T134-D137 PolarHBondContact O-N 3.3Å; T134-E138 VanDerWaalsContact CB-OE1 3.29Å; T134-E138 WeakPolarHBondContact CB-OE1 3.43Å; T134-E138 WeakPolarHBondContact O-CG 3.4Å; T134-E138 PolarHBondContact O-N 2.9Å; T134-E138 PolarHBondContact OG1-OE1 3.15Å
135	F	87.2	Confident	80.5	Confident	1 Å²	1	67.5 Å²	67.5	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-54.7	-43.5	-174.8	170.3	-105.1	0	0	0	112.8	K87 I90 R91 L120 Y129 Y131 P132 E133 D137 V139	K87-F135 HydrophobicContact CB-CE1 4.49Å; I90-F135 HydrophobicContact CG2-CE1 4.18Å; I90-F135 HydrophobicContact CG2-CZ 4.08Å; R91-F135 HydrophobicContact CB-CE2 4.03Å; R91-F135 HydrophobicContact CB-CZ 3.92Å; R91-F135 HydrophobicContact CG-CE2 4.32Å; L120-F135 HydrophobicContact CD1-CD2 4.29Å; L120-F135 HydrophobicContact CD1-CE2 4.1Å; Y129-F135 HydrophobicContact CE1-CD2 4.25Å; Y131-F135 AromaticContact CD1-CD1 3.99Å; Y131-F135 HydrophobicContact CD1-CD1 3.99Å; Y131-F135 HydrophobicContact CD1-CD2 4.07Å; Y131-F135 AromaticContact CD1-CE1 4Å; Y131-F135 HydrophobicContact CD1-CE1 4Å; Y131-F135 HydrophobicContact CD1-CE2 4.07Å; Y131-F135 HydrophobicContact CD1-CG 4.01Å; Y131-F135 HydrophobicContact CD1-CZ 4.03Å; Y131-F135 HydrophobicContact CE1-CE1 4.39Å; Y131-F135 HydrophobicContact CE1-CE2 4.27Å; Y131-F135 HydrophobicContact CE1-CZ 4.11Å; P132-F135 HydrophobicContact CG-CB 4.16Å; P132-F135 WeakPolarHBondContact O-CB 3.24Å; P132-F135 PolarHBondContact O-N 2.92Å; E133-F135 PolarHBondContact O-N 2.82Å; F135-D137 VanDerWaalsContact C-N 3.33Å; F135-V139 HydrophobicContact CD2-CG2 4.12Å; F135-V139 HydrophobicContact CE1-CG2 4.33Å; F135-V139 HydrophobicContact CE2-CG2 3.71Å; F135-V139 HydrophobicContact CZ-CG2 3.83Å; F135-V139 WeakPolarHBondContact O-CB 3.25Å; F135-V139 VanDerWaalsContact O-CG2 3.28Å; F135-V139 WeakPolarHBondContact O-CG2 3.42Å; F135-V139 PolarHBondContact O-N 2.95Å
136	F	88.2	Confident	81.6	Confident	21 Å²	21	63.5 Å²	63.5	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-69.1	-34.1	179.3	-71.7	-71.7	0	0	0	111.8	K87 I90 T134 D140 F171 I174 R175	K87-F136 HydrophobicContact CG-CZ 4.23Å; I90-F136 HydrophobicContact CD1-CE1 4.4Å; T134-F136 VanDerWaalsContact C-N 3.29Å; T134-F136 PolarHBondContact O-N 3.39Å; F136-D140 VanDerWaalsContact O-CB 3.26Å; F136-D140 WeakPolarHBondContact O-CB 3.12Å; F136-D140 PolarHBondContact O-N 2.81Å; F136-F171 HydrophobicContact CB-CZ 4.22Å; F136-F171 AromaticContact CD1-CE2 3.86Å; F136-F171 HydrophobicContact CD1-CE2 3.86Å; F136-F171 AromaticContact CD1-CZ 3.83Å; F136-F171 HydrophobicContact CD1-CZ 3.83Å; F136-F171 HydrophobicContact CE1-CE2 4.49Å; F136-F171 VanDerWaalsContact O-CZ 3.28Å; F136-F171 WeakPolarHBondContact O-CZ 3.35Å; F136-I174 HydrophobicContact CE1-CG2 3.99Å; F136-I174 HydrophobicContact CZ-CG2 4.16Å; F136-R175 HydrophobicContact CB-CB 4.33Å; F136-R175 HydrophobicContact CB-CG 3.75Å; F136-R175 HydrophobicContact CD1-CB 4.09Å; F136-R175 HydrophobicContact CD1-CG 4.41Å; F136-R175 HydrophobicContact CD2-CG 4.37Å; F136-R175 HydrophobicContact CG-CB 4.12Å; F136-R175 HydrophobicContact CG-CG 3.95Å
137	D	87.9	Confident	82.6	Confident	77 Å²	77	61 Å²	61	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-71.6	-41.5	179.3	-60	-13.5	0	0	0	110.8	T134 F135 D140 E141 R175	T134-D137 WeakPolarHBondContact O-CB 3.29Å; T134-D137 PolarHBondContact O-N 3.3Å; F135-D137 VanDerWaalsContact C-N 3.33Å; D137-D140 PolarHBondContact O-N 2.9Å; D137-E141 PolarHBondContact O-N 2.83Å; D137-R175 IonicContact OD1-CZ 3.26Å; D137-R175 IonicContact OD1-NE 2.74Å; D137-R175 PolarHBondContact OD1-NE 2.9Å; D137-R175 IonicContact OD1-NH1 3.28Å; D137-R175 IonicContact OD1-NH2 3.07Å; D137-R175 PolarHBondContact OD1-NH2 3.3Å
138	E	88.3	Confident	84.1	Confident	31 Å²	31	51.7 Å²	51.7	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-45.7	175.5	-67	168.4	-155.7	0	0	111.5	L116 T134 D140 E141 I142	L116-E138 HydrophobicContact CD2-CG 4.2Å; T134-E138 VanDerWaalsContact CB-OE1 3.29Å; T134-E138 WeakPolarHBondContact CB-OE1 3.43Å; T134-E138 WeakPolarHBondContact O-CG 3.4Å; T134-E138 PolarHBondContact O-N 2.9Å; T134-E138 PolarHBondContact OG1-OE1 3.15Å; E138-D140 VanDerWaalsContact C-N 3.35Å; E138-E141 PolarHBondContact O-N 3.5Å; E138-I142 WeakPolarHBondContact O-CD1 3.34Å; E138-I142 VanDerWaalsContact O-CG1 3.23Å; E138-I142 WeakPolarHBondContact O-CG1 3.19Å; E138-I142 PolarHBondContact O-N 2.95Å
139	V	89.9	Confident	85.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-39.5	176.9	168.3	0	0	0	0	111.5	I90 I94 F135 I142 W143 F171	I90-V139 HydrophobicContact CG2-CG1 4.02Å; I94-V139 HydrophobicContact CD1-CG1 4.01Å; I94-V139 HydrophobicContact CG1-CG1 3.78Å; I94-V139 HydrophobicContact CG1-CG2 4.42Å; F135-V139 HydrophobicContact CD2-CG2 4.12Å; F135-V139 HydrophobicContact CE1-CG2 4.33Å; F135-V139 HydrophobicContact CE2-CG2 3.71Å; F135-V139 HydrophobicContact CZ-CG2 3.83Å; F135-V139 WeakPolarHBondContact O-CB 3.25Å; F135-V139 VanDerWaalsContact O-CG2 3.28Å; F135-V139 WeakPolarHBondContact O-CG2 3.42Å; F135-V139 PolarHBondContact O-N 2.95Å; V139-I142 PolarHBondContact O-N 3.5Å; V139-W143 VanDerWaalsContact O-CB 3.25Å; V139-W143 WeakPolarHBondContact O-CB 3.33Å; V139-W143 PolarHBondContact O-N 3.14Å; V139-F171 HydrophobicContact CB-CE2 4.1Å; V139-F171 HydrophobicContact CB-CZ 3.91Å; V139-F171 HydrophobicContact CG1-CD2 4.4Å; V139-F171 HydrophobicContact CG1-CE2 3.45Å; V139-F171 VanDerWaalsContact CG1-CE2 3.45Å; V139-F171 HydrophobicContact CG1-CZ 3.64Å
140	D	91.1	Very high	86.5	Confident	38 Å²	38	53 Å²	53	20%	0.203	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-44.7	177.5	-162.3	36.9	0	0	0	111.4	F136 D137 E138 W143 H144 F171 R175	F136-D140 VanDerWaalsContact O-CB 3.26Å; F136-D140 WeakPolarHBondContact O-CB 3.12Å; F136-D140 PolarHBondContact O-N 2.81Å; D137-D140 PolarHBondContact O-N 2.9Å; E138-D140 VanDerWaalsContact C-N 3.35Å; D140-W143 PolarHBondContact O-N 3.49Å; D140-H144 PolarHBondContact O-N 3.42Å; D140-H144 VanDerWaalsContact O-N 3.11Å; D140-H144 PolarHBondContact O-ND1 3.31Å; D140-H144 IonicContact OD1-CE1 3.63Å; D140-H144 PolarHBondContact OD1-CE1 3.11Å; D140-H144 IonicContact OD1-ND1 3.61Å; D140-H144 PolarHBondContact OD1-ND1 3.22Å; D140-F171 HydrophobicContact CB-CE1 3.81Å; D140-F171 HydrophobicContact CB-CZ 4.37Å; D140-R175 IonicContact OD2-NH1 3.15Å
141	E	90.1	Very high	87.4	Confident	43 Å²	43	47 Å²	47	20%	0.201	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-42.9	178.6	-163.2	179.1	148.3	0	0	111.5	R112 T113 L116 D137 E138	R112-E141 WeakPolarHBondContact CD-OE1 3.39Å; R112-E141 VanDerWaalsContact CG-OE1 3.27Å; R112-E141 WeakPolarHBondContact CG-OE1 3.22Å; R112-E141 IonicContact CZ-OE1 3.01Å; R112-E141 IonicContact CZ-OE2 3.52Å; R112-E141 VanDerWaalsContact CZ-OE2 3.28Å; R112-E141 VanDerWaalsContact NE-CD 3.35Å; R112-E141 IonicContact NE-OE1 3.63Å; R112-E141 PolarHBondContact NE-OE1 3.24Å; R112-E141 IonicContact NE-OE2 2.73Å; R112-E141 PolarHBondContact NE-OE2 3.39Å; R112-E141 VanDerWaalsContact NE-OE2 3.15Å; R112-E141 IonicContact NH2-OE1 2.63Å; R112-E141 IonicContact NH2-OE2 3.79Å; R112-E141 PolarHBondContact NH2-OE2 3.3Å; T113-E141 HydrophobicContact CG2-CG 4.18Å; L116-E141 HydrophobicContact CD1-CB 4.09Å; L116-E141 HydrophobicContact CD1-CG 4.07Å; L116-E141 WeakPolarHBondContact CD1-OE2 3.23Å; D137-E141 PolarHBondContact O-N 2.83Å; E138-E141 PolarHBondContact O-N 3.5Å
142	I	90.9	Very high	88	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-45	175.6	-66.9	165.1	0	0	0	110.6	I94 L98 L116 L120 E138 V139 H144 D145 V148	I94-I142 HydrophobicContact CG2-CG2 3.87Å; L98-I142 HydrophobicContact CD2-CG2 4.14Å; L116-I142 HydrophobicContact CB-CD1 4.21Å; L116-I142 HydrophobicContact CB-CG1 4.2Å; L120-I142 HydrophobicContact CD2-CD1 3.97Å; E138-I142 WeakPolarHBondContact O-CD1 3.34Å; E138-I142 VanDerWaalsContact O-CG1 3.23Å; E138-I142 WeakPolarHBondContact O-CG1 3.19Å; E138-I142 PolarHBondContact O-N 2.95Å; V139-I142 PolarHBondContact O-N 3.5Å; I142-H144 VanDerWaalsContact C-N 3.29Å; I142-H144 PolarHBondContact O-N 2.87Å; I142-D145 WeakPolarHBondContact O-CB 3.28Å; I142-D145 PolarHBondContact O-N 3.34Å; I142-D145 VanDerWaalsContact O-N 3.16Å; I142-V148 HydrophobicContact CG2-CG2 4.06Å; I142-V148 WeakPolarHBondContact O-CB 2.77Å; I142-V148 VanDerWaalsContact O-CG2 3.32Å; I142-V148 WeakPolarHBondContact O-CG2 3.38Å
143	W	90.8	Very high	88.6	Confident	37 Å²	37	50.2 Å²	50.2	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-36.6	-177.6	178.2	-110.2	0	0	0	112.3	I94 I97 V139 D140 D145 V148 Q149 Y152 M168	I94-W143 HydrophobicContact CD1-CE3 4.16Å; I97-W143 HydrophobicContact CD1-CE3 4.4Å; I97-W143 HydrophobicContact CD1-CZ3 3.74Å; V139-W143 VanDerWaalsContact O-CB 3.25Å; V139-W143 WeakPolarHBondContact O-CB 3.33Å; V139-W143 PolarHBondContact O-N 3.14Å; D140-W143 PolarHBondContact O-N 3.49Å; W143-D145 VanDerWaalsContact C-N 3.29Å; W143-D145 PolarHBondContact O-N 2.88Å; W143-V148 HydrophobicContact CE3-CG1 4.4Å; W143-Q149 VanDerWaalsContact CD2-NE2 3.34Å; W143-Q149 PolarHBondContact O-NE2 3.47Å; W143-Y152 AromaticContact CH2-CD1 3.77Å; W143-Y152 HydrophobicContact CH2-CD1 3.77Å; W143-Y152 AromaticContact CH2-CD2 3.74Å; W143-Y152 HydrophobicContact CH2-CD2 3.74Å; W143-Y152 AromaticContact CH2-CE1 3.96Å; W143-Y152 HydrophobicContact CH2-CE1 3.96Å; W143-Y152 AromaticContact CH2-CE2 3.92Å; W143-Y152 HydrophobicContact CH2-CE2 3.92Å; W143-Y152 AromaticContact CH2-CG 3.65Å; W143-Y152 HydrophobicContact CH2-CG 3.65Å; W143-Y152 HydrophobicContact CZ3-CD2 4Å; W143-Y152 HydrophobicContact CZ3-CE2 4.49Å; W143-Y152 HydrophobicContact CZ3-CG 4.03Å; W143-M168 HydrophobicContact CD2-CG 4.39Å; W143-M168 HydrophobicContact CD2-SD 4.03Å; W143-M168 HydrophobicContact CE3-CG 4.17Å; W143-M168 HydrophobicContact CE3-SD 3.87Å; W143-M168 HydrophobicContact CH2-CB 4.01Å; W143-M168 HydrophobicContact CH2-CG 3.8Å; W143-M168 HydrophobicContact CZ2-CB 3.76Å; W143-M168 HydrophobicContact CZ2-CG 4.02Å; W143-M168 HydrophobicContact CZ3-CG 3.87Å; W143-M168 HydrophobicContact CZ3-SD 4.15Å
144	H	91.1	Very high	89	Confident	122 Å²	122	45.8 Å²	45.8	57%	0.565	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.8	179.5	-72.9	91.4	0	0	0	114.4	D140 I142	D140-H144 PolarHBondContact O-N 3.42Å; D140-H144 VanDerWaalsContact O-N 3.11Å; D140-H144 PolarHBondContact O-ND1 3.31Å; D140-H144 IonicContact OD1-CE1 3.63Å; D140-H144 PolarHBondContact OD1-CE1 3.11Å; D140-H144 IonicContact OD1-ND1 3.61Å; D140-H144 PolarHBondContact OD1-ND1 3.22Å; I142-H144 VanDerWaalsContact C-N 3.29Å; I142-H144 PolarHBondContact O-N 2.87Å
145	D	91.7	Very high	88.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.			trans	-64.1	127.8	173.5	-169.7	-78.4	0	0	0	110.2	I109 Q110 T113 I142 W143 G147 V148 Q149	I109-D145 PolarHBondContact N-OD1 2.9Å; I109-D145 PolarHBondContact N-OD2 3.43Å; Q110-D145 PolarHBondContact N-OD2 3.4Å; T113-D145 HydrophobicContact CG2-CB 4.1Å; T113-D145 PolarHBondContact OG1-OD2 3.31Å; I142-D145 WeakPolarHBondContact O-CB 3.28Å; I142-D145 PolarHBondContact O-N 3.34Å; I142-D145 VanDerWaalsContact O-N 3.16Å; W143-D145 VanDerWaalsContact C-N 3.29Å; W143-D145 PolarHBondContact O-N 2.88Å; D145-G147 PolarHBondContact O-N 3.13Å; D145-G147 VanDerWaalsContact OD1-CA 3.31Å; D145-G147 WeakPolarHBondContact OD1-CA 3.46Å; D145-G147 PolarHBondContact OD1-N 3.42Å; D145-V148 HydrophobicContact CB-CB 4.21Å; D145-V148 HydrophobicContact CB-CG2 3.93Å; D145-V148 WeakPolarHBondContact O-CB 3.43Å; D145-V148 PolarHBondContact O-N 3.02Å; D145-Q149 PolarHBondContact O-N 3.09Å
146	P	90.6	Very high	88.1	Confident	56 Å²	56	48 Å²	48	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-67.6	-20.7	-177.3	-6.6	16.2	0	0	0	113.2	I109 R150	I109-P146 HydrophobicContact CD1-CB 3.43Å; I109-P146 VanDerWaalsContact CD1-CB 3.43Å; I109-P146 HydrophobicContact CD1-CG 3.59Å; P146-R150 VanDerWaalsContact O-CG 3.25Å; P146-R150 WeakPolarHBondContact O-CG 3.27Å; P146-R150 PolarHBondContact O-N 2.88Å
147	G	89.9	Confident	87.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-42.4	170	0	0	0	0	0	112	D145 R150 A151	D145-G147 PolarHBondContact O-N 3.13Å; D145-G147 VanDerWaalsContact OD1-CA 3.31Å; D145-G147 WeakPolarHBondContact OD1-CA 3.46Å; D145-G147 PolarHBondContact OD1-N 3.42Å; G147-R150 PolarHBondContact O-N 2.99Å; G147-A151 PolarHBondContact O-N 3.46Å
148	V	91	Very high	87	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-43.3	175.2	174.6	0	0	0	0	110.7	I97 L98 M101 F108 I142 W143 D145 R150 A151 Y152	I97-V148 HydrophobicContact CG2-CG1 3.84Å; L98-V148 HydrophobicContact CD2-CG2 4.47Å; M101-V148 HydrophobicContact CE-CG2 4.28Å; M101-V148 HydrophobicContact SD-CB 4.25Å; M101-V148 HydrophobicContact SD-CG2 3.49Å; M101-V148 WeakPolarHBondContact SD-CG2 3.46Å; F108-V148 HydrophobicContact CD1-CG2 4.32Å; F108-V148 HydrophobicContact CE1-CG2 3.96Å; I142-V148 HydrophobicContact CG2-CG2 4.06Å; I142-V148 WeakPolarHBondContact O-CB 2.77Å; I142-V148 VanDerWaalsContact O-CG2 3.32Å; I142-V148 WeakPolarHBondContact O-CG2 3.38Å; W143-V148 HydrophobicContact CE3-CG1 4.4Å; D145-V148 HydrophobicContact CB-CB 4.21Å; D145-V148 HydrophobicContact CB-CG2 3.93Å; D145-V148 WeakPolarHBondContact O-CB 3.43Å; D145-V148 PolarHBondContact O-N 3.02Å; V148-R150 PolarHBondContact O-N 2.91Å; V148-A151 WeakPolarHBondContact O-CB 3.42Å; V148-A151 PolarHBondContact O-N 2.98Å; V148-Y152 PolarHBondContact O-N 3.4Å
149	Q	91.8	Very high	86.4	Confident	63 Å²	63	53.8 Å²	53.8	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-37.3	176	-70.8	-62.4	-38	0	0	113.3	W143 D145 Y152 T153	W143-Q149 VanDerWaalsContact CD2-NE2 3.34Å; W143-Q149 PolarHBondContact O-NE2 3.47Å; D145-Q149 PolarHBondContact O-N 3.09Å; Q149-Y152 PolarHBondContact O-N 3.11Å; Q149-T153 PolarHBondContact O-N 3.18Å; Q149-T153 PolarHBondContact O-OG1 2.82Å
150	R	90	Very high	85.9	Confident	144 Å²	144	55.1 Å²	55.1	54%	0.543	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-42.6	172.4	-75.1	178.1	-144.9	177.4	3.7	111.6	L106 P146 G147 V148 Y152 T153 R154	L106-R150 HydrophobicContact CD1-CB 4.27Å; P146-R150 VanDerWaalsContact O-CG 3.25Å; P146-R150 WeakPolarHBondContact O-CG 3.27Å; P146-R150 PolarHBondContact O-N 2.88Å; G147-R150 PolarHBondContact O-N 2.99Å; V148-R150 PolarHBondContact O-N 2.91Å; R150-Y152 VanDerWaalsContact C-N 3.34Å; R150-T153 PolarHBondContact O-N 3.46Å; R150-R154 PolarHBondContact O-N 3.16Å
151	A	88.9	Confident	85.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-42.8	176	0	0	0	0	0	111.5	I97 M101 L106 G147 V148 T153 R154 A155 F158	I97-A151 HydrophobicContact CG2-CB 3.91Å; M101-A151 HydrophobicContact CG-CB 3.4Å; M101-A151 VanDerWaalsContact CG-CB 3.4Å; L106-A151 HydrophobicContact CD1-CB 3.81Å; G147-A151 PolarHBondContact O-N 3.46Å; V148-A151 WeakPolarHBondContact O-CB 3.42Å; V148-A151 PolarHBondContact O-N 2.98Å; A151-T153 VanDerWaalsContact C-N 3.34Å; A151-T153 PolarHBondContact O-N 2.72Å; A151-R154 CarbonylContact O-C 3.5Å; A151-R154 WeakPolarHBondContact O-CA 3.49Å; A151-R154 PolarHBondContact O-N 3.2Å; A151-A155 PolarHBondContact O-N 3.1Å; A151-A155 VanDerWaalsContact O-N 3.12Å; A151-F158 WeakPolarHBondContact O-CE1 3.45Å
152	Y	88.2	Confident	84.7	Confident	50 Å²	50	56.3 Å²	56.3	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-37.6	176.4	176.7	-105.3	0	0	0	113.1	I97 W143 V148 Q149 R150 R154 A155 L160 T165	I97-Y152 HydrophobicContact CD1-CD2 4.03Å; W143-Y152 AromaticContact CH2-CD1 3.77Å; W143-Y152 HydrophobicContact CH2-CD1 3.77Å; W143-Y152 AromaticContact CH2-CD2 3.74Å; W143-Y152 HydrophobicContact CH2-CD2 3.74Å; W143-Y152 AromaticContact CH2-CE1 3.96Å; W143-Y152 HydrophobicContact CH2-CE1 3.96Å; W143-Y152 AromaticContact CH2-CE2 3.92Å; W143-Y152 HydrophobicContact CH2-CE2 3.92Å; W143-Y152 AromaticContact CH2-CG 3.65Å; W143-Y152 HydrophobicContact CH2-CG 3.65Å; W143-Y152 HydrophobicContact CZ3-CD2 4Å; W143-Y152 HydrophobicContact CZ3-CE2 4.49Å; W143-Y152 HydrophobicContact CZ3-CG 4.03Å; V148-Y152 PolarHBondContact O-N 3.4Å; Q149-Y152 PolarHBondContact O-N 3.11Å; R150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-R154 PolarHBondContact O-N 3.35Å; Y152-A155 WeakPolarHBondContact O-CB 3.49Å; Y152-A155 PolarHBondContact O-N 3.09Å; Y152-L160 HydrophobicContact CD2-CD2 3.84Å; Y152-L160 HydrophobicContact CE2-CD2 3.85Å; Y152-T165 WeakPolarHBondContact OH-CA 3.5Å; Y152-T165 VanDerWaalsContact OH-CB 3.3Å; Y152-T165 WeakPolarHBondContact OH-CB 3.42Å; Y152-T165 VanDerWaalsContact OH-CG2 3.25Å; Y152-T165 WeakPolarHBondContact OH-CG2 3.3Å; Y152-T165 PolarHBondContact OH-OG1 2.83Å
153	T	86	Confident	84.3	Confident	114 Å²	114	57.4 Å²	57.4	70%	0.699	28%	0.281	S	S	*	.	H	α-helix	trans	-61.2	-28.9	173.6	-55.2	0	0	0	0	111.8	Q149 R150 A151	Q149-T153 PolarHBondContact O-N 3.18Å; Q149-T153 PolarHBondContact O-OG1 2.82Å; R150-T153 PolarHBondContact O-N 3.46Å; A151-T153 VanDerWaalsContact C-N 3.34Å; A151-T153 PolarHBondContact O-N 2.72Å
154	R	82.1	Confident	84.1	Confident	96 Å²	96	55.7 Å²	55.7	36%	0.362	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	22.1	177.2	-62	177.1	67.3	-178.5	-1.4	112.5	L104 R150 A151 Y152 T156 E157	L104-R154 HydrophobicContact CD1-CB 3.75Å; R150-R154 PolarHBondContact O-N 3.16Å; A151-R154 CarbonylContact O-C 3.5Å; A151-R154 WeakPolarHBondContact O-CA 3.49Å; A151-R154 PolarHBondContact O-N 3.2Å; Y152-R154 PolarHBondContact O-N 3.35Å; R154-T156 PolarHBondContact O-N 3.3Å; R154-E157 IonicContact CZ-OE1 3.46Å; R154-E157 VanDerWaalsContact CZ-OE1 3.28Å; R154-E157 IonicContact CZ-OE2 3.61Å; R154-E157 IonicContact NE-OE1 2.84Å; R154-E157 PolarHBondContact NE-OE1 3.48Å; R154-E157 IonicContact NE-OE2 3.98Å; R154-E157 VanDerWaalsContact NH2-CD 3.29Å; R154-E157 IonicContact NH2-OE1 3.47Å; R154-E157 PolarHBondContact NH2-OE1 3.24Å; R154-E157 IonicContact NH2-OE2 2.74Å; R154-E157 PolarHBondContact NH2-OE2 3.06Å; R154-E157 WeakPolarHBondContact O-CB 3.45Å; R154-E157 PolarHBondContact O-N 3.28Å
155	A	80	Confident	83.9	Confident	20 Å²	20	51.5 Å²	51.5	17%	0.165	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.2	-178.8	0	0	0	0	0	114.5	A151 Y152 E157 F158 L160	A151-A155 PolarHBondContact O-N 3.1Å; A151-A155 VanDerWaalsContact O-N 3.12Å; Y152-A155 WeakPolarHBondContact O-CB 3.49Å; Y152-A155 PolarHBondContact O-N 3.09Å; A155-E157 VanDerWaalsContact C-N 3.3Å; A155-F158 HydrophobicContact CB-CE1 4.41Å; A155-F158 HydrophobicContact CB-CE2 4.42Å; A155-F158 HydrophobicContact CB-CZ 3.99Å; A155-L160 HydrophobicContact CB-CB 4.15Å; A155-L160 HydrophobicContact CB-CD2 3.56Å
156	T	70.8	Confident	83.8	Confident	93 Å²	93	53.3 Å²	53.3	57%	0.571	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-17	172.6	52.1	0	0	0	0	113.3	R154	R154-T156 PolarHBondContact O-N 3.3Å
157	E	74.9	Confident	83.8	Confident	108 Å²	108	50.8 Å²	50.8	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.1	-179.5	-64.8	179.9	-131.2	0	0	113.3	L104 R154 A155	L104-E157 HydrophobicContact CD2-CB 4.05Å; L104-E157 WeakPolarHBondContact CD2-OE2 3.3Å; R154-E157 IonicContact CZ-OE1 3.46Å; R154-E157 VanDerWaalsContact CZ-OE1 3.28Å; R154-E157 IonicContact CZ-OE2 3.61Å; R154-E157 IonicContact NE-OE1 2.84Å; R154-E157 PolarHBondContact NE-OE1 3.48Å; R154-E157 IonicContact NE-OE2 3.98Å; R154-E157 VanDerWaalsContact NH2-CD 3.29Å; R154-E157 IonicContact NH2-OE1 3.47Å; R154-E157 PolarHBondContact NH2-OE1 3.24Å; R154-E157 IonicContact NH2-OE2 2.74Å; R154-E157 PolarHBondContact NH2-OE2 3.06Å; R154-E157 WeakPolarHBondContact O-CB 3.45Å; R154-E157 PolarHBondContact O-N 3.28Å; A155-E157 VanDerWaalsContact C-N 3.3Å
158	F	79.6	Confident	83.8	Confident	28 Å²	28	51.4 Å²	51.4	12%	0.123	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	171.2	175.7	59.4	-91.3	0	0	0	110.9	I97 L104 A151 A155 L160	I97-F158 HydrophobicContact CG1-CE2 4.23Å; I97-F158 HydrophobicContact CG1-CZ 4.29Å; L104-F158 HydrophobicContact CD1-CD1 4.24Å; L104-F158 HydrophobicContact CD1-CE1 4.11Å; A151-F158 WeakPolarHBondContact O-CE1 3.45Å; A155-F158 HydrophobicContact CB-CE1 4.41Å; A155-F158 HydrophobicContact CB-CE2 4.42Å; A155-F158 HydrophobicContact CB-CZ 3.99Å; F158-L160 HydrophobicContact CD2-CB 4.4Å; F158-L160 HydrophobicContact CE2-CB 4.05Å; F158-L160 PolarHBondContact O-N 3.13Å; F158-L160 VanDerWaalsContact O-N 3.14Å
159	H	74.8	Confident	83.7	Confident	115 Å²	115	61 Å²	61	53%	0.532	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	97.2	-179.8	-70.5	-57.3	0	0	0	111.1
160	L	80.6	Confident	83.6	Confident	29 Å²	29	61.1 Å²	61.1	15%	0.152	29%	0.285	C	S	.	.			trans	-105.8	136.6	166	-170.5	62.6	0	0	0	110	V93 I97 Y152 A155 F158 A164	V93-L160 HydrophobicContact CG1-CD1 4.22Å; I97-L160 HydrophobicContact CD1-CD1 4.38Å; I97-L160 HydrophobicContact CG1-CD1 3.9Å; I97-L160 HydrophobicContact CG1-CD2 4.38Å; Y152-L160 HydrophobicContact CD2-CD2 3.84Å; Y152-L160 HydrophobicContact CE2-CD2 3.85Å; A155-L160 HydrophobicContact CB-CB 4.15Å; A155-L160 HydrophobicContact CB-CD2 3.56Å; F158-L160 HydrophobicContact CD2-CB 4.4Å; F158-L160 HydrophobicContact CE2-CB 4.05Å; F158-L160 PolarHBondContact O-N 3.13Å; F158-L160 VanDerWaalsContact O-N 3.14Å; L160-A164 HydrophobicContact CD1-CB 3.89Å; L160-A164 HydrophobicContact CD2-CB 3.71Å; L160-A164 HydrophobicContact CG-CB 3.64Å
161	F	77.1	Confident	83.6	Confident	49 Å²	49	54.6 Å²	54.6	22%	0.215	26%	0.261	C	S	.	.			trans	-68.8	139.6	178.6	-53.5	-42.1	0	0	0	111.7	D92 S163 A164	D92-F161 HydrophobicContact CB-CE2 4Å; F161-S163 PolarHBondContact O-N 3.26Å; F161-A164 WeakPolarHBondContact O-CB 3.42Å; F161-A164 PolarHBondContact O-N 3.09Å
162	D	77.4	Confident	83.6	Confident	56 Å²	56	59.7 Å²	59.7	30%	0.299	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.1	-173.6	-64.5	-32.2	0	0	0	114.8	A164 K256 L259	D162-A164 VanDerWaalsContact C-N 3.29Å; D162-A164 PolarHBondContact O-N 2.87Å; D162-K256 WeakPolarHBondContact OD2-CE 3.48Å; D162-K256 IonicContact OD2-NZ 3.7Å; D162-K256 PolarHBondContact OD2-NZ 2.97Å; D162-L259 HydrophobicContact CB-CD1 3.61Å; D162-L259 VanDerWaalsContact CG-CD1 3.43Å
163	S	84.1	Confident	83.7	Confident	24 Å²	24	58.6 Å²	58.6	17%	0.168	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-0.9	179.9	-63	0	0	0	0	114	F161 T165 Y166 F167 R188	F161-S163 PolarHBondContact O-N 3.26Å; S163-T165 PolarHBondContact O-N 3.02Å; S163-Y166 WeakPolarHBondContact O-CB 3.49Å; S163-Y166 PolarHBondContact O-N 3.26Å; S163-Y166 VanDerWaalsContact O-N 3.1Å; S163-F167 WeakPolarHBondContact O-CD2 3.4Å; S163-F167 PolarHBondContact O-N 2.87Å; S163-F167 VanDerWaalsContact O-N 3.16Å; S163-R188 VanDerWaalsContact CB-O 3.22Å; S163-R188 WeakPolarHBondContact CB-O 3.41Å; S163-R188 PolarHBondContact OG-O 3.19Å
164	A	86.1	Confident	83.9	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-54.1	-52.8	-178.6	0	0	0	0	0	111.9	V93 L160 F161 D162 Y166 F167 M168	V93-A164 HydrophobicContact CB-CB 4.38Å; V93-A164 HydrophobicContact CG1-CB 3.75Å; V93-A164 HydrophobicContact CG2-CB 3.67Å; L160-A164 HydrophobicContact CD1-CB 3.89Å; L160-A164 HydrophobicContact CD2-CB 3.71Å; L160-A164 HydrophobicContact CG-CB 3.64Å; F161-A164 WeakPolarHBondContact O-CB 3.42Å; F161-A164 PolarHBondContact O-N 3.09Å; D162-A164 VanDerWaalsContact C-N 3.29Å; D162-A164 PolarHBondContact O-N 2.87Å; A164-Y166 PolarHBondContact O-N 3.23Å; A164-Y166 VanDerWaalsContact O-N 3.16Å; A164-F167 PolarHBondContact O-N 3.09Å; A164-M168 WeakPolarHBondContact O-CG 3.29Å; A164-M168 PolarHBondContact O-N 3.03Å
165	T	87	Confident	84.2	Confident	34 Å²	34	53.6 Å²	53.6	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-53.8	-37.9	178	-45.9	0	0	0	0	112.6	Y152 S163 R169	Y152-T165 WeakPolarHBondContact OH-CA 3.5Å; Y152-T165 VanDerWaalsContact OH-CB 3.3Å; Y152-T165 WeakPolarHBondContact OH-CB 3.42Å; Y152-T165 VanDerWaalsContact OH-CG2 3.25Å; Y152-T165 WeakPolarHBondContact OH-CG2 3.3Å; Y152-T165 PolarHBondContact OH-OG1 2.83Å; S163-T165 PolarHBondContact O-N 3.02Å; T165-R169 WeakPolarHBondContact O-CB 3.41Å; T165-R169 VanDerWaalsContact O-CG 3.25Å; T165-R169 WeakPolarHBondContact O-CG 3.36Å; T165-R169 PolarHBondContact O-N 3.09Å; T165-R169 VanDerWaalsContact O-N 3.12Å
166	Y	89.6	Confident	84.6	Confident	38 Å²	38	60.8 Å²	60.8	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-48.2	-177.5	176.5	-95.4	0	0	0	111.6	S163 A164 R169 R170 Q184 D185 R188	S163-Y166 WeakPolarHBondContact O-CB 3.49Å; S163-Y166 PolarHBondContact O-N 3.26Å; S163-Y166 VanDerWaalsContact O-N 3.1Å; A164-Y166 PolarHBondContact O-N 3.23Å; A164-Y166 VanDerWaalsContact O-N 3.16Å; Y166-R169 PolarHBondContact O-N 2.71Å; Y166-R170 VanDerWaalsContact CZ-CD 3.41Å; Y166-R170 PolarHBondContact O-N 3.39Å; Y166-R170 VanDerWaalsContact OH-CD 3.23Å; Y166-R170 WeakPolarHBondContact OH-CD 3.4Å; Y166-R170 PolarHBondContact OH-NH1 2.79Å; Y166-Q184 HydrophobicContact CE1-CG 4.45Å; Y166-Q184 HydrophobicContact CE2-CG 3.79Å; Y166-Q184 WeakPolarHBondContact OH-CG 3.45Å; Y166-D185 VanDerWaalsContact CE1-OD1 3.25Å; Y166-D185 WeakPolarHBondContact CE1-OD1 3.21Å; Y166-D185 PolarHBondContact OH-OD1 2.79Å; Y166-D185 VanDerWaalsContact OH-OD1 3.1Å; Y166-R188 HydrophobicContact CD1-CB 3.83Å; Y166-R188 HydrophobicContact CD1-CG 3.84Å; Y166-R188 HydrophobicContact CD2-CG 4.49Å; Y166-R188 HydrophobicContact CE1-CB 4.1Å; Y166-R188 HydrophobicContact CE1-CG 4.04Å; Y166-R188 HydrophobicContact CG-CB 4.47Å; Y166-R188 HydrophobicContact CG-CG 4.08Å
167	F	90.9	Very high	85.1	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.013	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-39.3	179.8	-71.7	-60.8	0	0	0	112.1	I86 N89 I90 S163 A164 R169 R170 F171 I174 R188 C189	I86-F167 HydrophobicContact CG1-CE1 4.29Å; I86-F167 HydrophobicContact CG2-CD1 4.13Å; I86-F167 HydrophobicContact CG2-CE1 3.91Å; N89-F167 HydrophobicContact CB-CE2 4.42Å; I90-F167 HydrophobicContact CG1-CB 4.22Å; S163-F167 WeakPolarHBondContact O-CD2 3.4Å; S163-F167 PolarHBondContact O-N 2.87Å; S163-F167 VanDerWaalsContact O-N 3.16Å; A164-F167 PolarHBondContact O-N 3.09Å; F167-R169 PolarHBondContact O-N 3.39Å; F167-R170 CarbonylContact O-C 3.57Å; F167-R170 PolarHBondContact O-N 2.81Å; F167-F171 PolarHBondContact O-N 2.88Å; F167-I174 HydrophobicContact CD1-CD1 3.84Å; F167-R188 HydrophobicContact CE2-CB 4.34Å; F167-R188 HydrophobicContact CZ-CB 4.12Å; F167-C189 HydrophobicContact CZ-CB 4.13Å
168	M	88.7	Confident	85.7	Confident	13 Å²	13	61.2 Å²	61.2	6%	0.064	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-38.8	176.6	-63.4	-59.2	108.8	0	0	112.1	I90 V93 I94 W143 A164 R170 F171	I90-M168 HydrophobicContact CB-CE 4.35Å; I90-M168 HydrophobicContact CG1-CE 4.19Å; I90-M168 HydrophobicContact CG2-CE 4Å; V93-M168 HydrophobicContact CB-CE 4.28Å; V93-M168 HydrophobicContact CG1-CE 3.81Å; V93-M168 HydrophobicContact CG1-CG 4.24Å; V93-M168 HydrophobicContact CG1-SD 4.23Å; I94-M168 HydrophobicContact CD1-SD 4.15Å; W143-M168 HydrophobicContact CD2-CG 4.39Å; W143-M168 HydrophobicContact CD2-SD 4.03Å; W143-M168 HydrophobicContact CE3-CG 4.17Å; W143-M168 HydrophobicContact CE3-SD 3.87Å; W143-M168 HydrophobicContact CH2-CB 4.01Å; W143-M168 HydrophobicContact CH2-CG 3.8Å; W143-M168 HydrophobicContact CZ2-CB 3.76Å; W143-M168 HydrophobicContact CZ2-CG 4.02Å; W143-M168 HydrophobicContact CZ3-CG 3.87Å; W143-M168 HydrophobicContact CZ3-SD 4.15Å; A164-M168 WeakPolarHBondContact O-CG 3.29Å; A164-M168 PolarHBondContact O-N 3.03Å; M168-R170 VanDerWaalsContact C-N 3.28Å; M168-R170 PolarHBondContact O-N 3.01Å; M168-F171 VanDerWaalsContact O-CB 3.22Å; M168-F171 WeakPolarHBondContact O-CB 3.45Å; M168-F171 PolarHBondContact O-N 3.03Å
169	R	89.9	Confident	86.2	Confident	204 Å²	204	61.3 Å²	61.3	77%	0.77	31%	0.308	S	S	*	.	H	α-helix	trans	-67.6	-26.5	174.6	-76.9	178.2	179.2	166.1	4	113.8	T165 Y166 F167	T165-R169 WeakPolarHBondContact O-CB 3.41Å; T165-R169 VanDerWaalsContact O-CG 3.25Å; T165-R169 WeakPolarHBondContact O-CG 3.36Å; T165-R169 PolarHBondContact O-N 3.09Å; T165-R169 VanDerWaalsContact O-N 3.12Å; Y166-R169 PolarHBondContact O-N 2.71Å; F167-R169 PolarHBondContact O-N 3.39Å
170	R	88.7	Confident	87	Confident	64 Å²	64	59.1 Å²	59.1	24%	0.242	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	11.7	178.4	-68.1	-164.9	69.3	-162.4	-9.5	112.8	Y166 F167 M168 D172 A173 I174 T182 D185	Y166-R170 VanDerWaalsContact CZ-CD 3.41Å; Y166-R170 PolarHBondContact O-N 3.39Å; Y166-R170 VanDerWaalsContact OH-CD 3.23Å; Y166-R170 WeakPolarHBondContact OH-CD 3.4Å; Y166-R170 PolarHBondContact OH-NH1 2.79Å; F167-R170 CarbonylContact O-C 3.57Å; F167-R170 PolarHBondContact O-N 2.81Å; M168-R170 VanDerWaalsContact C-N 3.28Å; M168-R170 PolarHBondContact O-N 3.01Å; R170-D172 VanDerWaalsContact C-N 3.3Å; R170-D172 PolarHBondContact O-N 3.29Å; R170-A173 WeakPolarHBondContact O-CB 3.42Å; R170-A173 PolarHBondContact O-N 3Å; R170-I174 HydrophobicContact CB-CD1 4.23Å; R170-I174 WeakPolarHBondContact O-CG1 3.32Å; R170-I174 PolarHBondContact O-N 3.16Å; R170-I174 VanDerWaalsContact O-N 3.11Å; R170-T182 PolarHBondContact NH1-OG1 3Å; R170-T182 VanDerWaalsContact NH1-OG1 3.1Å; R170-D185 IonicContact CZ-OD1 3.29Å; R170-D185 IonicContact CZ-OD2 2.6Å; R170-D185 IonicContact NE-OD1 2.64Å; R170-D185 IonicContact NH1-OD1 3.57Å; R170-D185 PolarHBondContact NH1-OD1 2.91Å; R170-D185 IonicContact NH1-OD2 3.95Å; R170-D185 PolarHBondContact NH1-OD2 2.86Å; R170-D185 IonicContact NH2-OD2 3.06Å; R170-D185 PolarHBondContact NH2-OD2 3.19Å
171	F	90.5	Very high	87.6	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-54.7	-45.9	-173.4	-173.7	-101.1	0	0	0	112.1	I90 F136 V139 D140 F167 M168 A173 I174 R175	I90-F171 HydrophobicContact CD1-CD2 4.46Å; I90-F171 HydrophobicContact CG2-CD2 4.43Å; I90-F171 HydrophobicContact CG2-CE2 4.02Å; F136-F171 HydrophobicContact CB-CZ 4.22Å; F136-F171 AromaticContact CD1-CE2 3.86Å; F136-F171 HydrophobicContact CD1-CE2 3.86Å; F136-F171 AromaticContact CD1-CZ 3.83Å; F136-F171 HydrophobicContact CD1-CZ 3.83Å; F136-F171 HydrophobicContact CE1-CE2 4.49Å; F136-F171 VanDerWaalsContact O-CZ 3.28Å; F136-F171 WeakPolarHBondContact O-CZ 3.35Å; V139-F171 HydrophobicContact CB-CE2 4.1Å; V139-F171 HydrophobicContact CB-CZ 3.91Å; V139-F171 HydrophobicContact CG1-CD2 4.4Å; V139-F171 HydrophobicContact CG1-CE2 3.45Å; V139-F171 VanDerWaalsContact CG1-CE2 3.45Å; V139-F171 HydrophobicContact CG1-CZ 3.64Å; D140-F171 HydrophobicContact CB-CE1 3.81Å; D140-F171 HydrophobicContact CB-CZ 4.37Å; F167-F171 PolarHBondContact O-N 2.88Å; M168-F171 VanDerWaalsContact O-CB 3.22Å; M168-F171 WeakPolarHBondContact O-CB 3.45Å; M168-F171 PolarHBondContact O-N 3.03Å; F171-A173 VanDerWaalsContact C-N 3.27Å; F171-A173 PolarHBondContact O-N 3.31Å; F171-I174 PolarHBondContact O-N 3.03Å; F171-I174 VanDerWaalsContact O-N 3.08Å; F171-R175 PolarHBondContact O-N 3.14Å
172	D	88.8	Confident	88.3	Confident	106 Å²	106	57.8 Å²	57.8	57%	0.567	30%	0.3	S	S	*	.	H	α-helix	trans	-59.9	-33.5	177.2	-61.3	-31.7	0	0	0	114	R170 R176	R170-D172 VanDerWaalsContact C-N 3.3Å; R170-D172 PolarHBondContact O-N 3.29Å; D172-R176 WeakPolarHBondContact O-CG 3.39Å
173	A	90.3	Very high	89	Confident	27 Å²	27	57.5 Å²	57.5	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-76	-34.1	178.4	0	0	0	0	0	111.6	R170 F171 Y179	R170-A173 WeakPolarHBondContact O-CB 3.42Å; R170-A173 PolarHBondContact O-N 3Å; F171-A173 VanDerWaalsContact C-N 3.27Å; F171-A173 PolarHBondContact O-N 3.31Å; A173-Y179 WeakPolarHBondContact O-CD2 3.33Å
174	I	90	Very high	89.2	Confident	7 Å²	7	59 Å²	59	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-75.4	-32.5	-179.5	-60.7	165	0	0	0	110.9	I86 I90 F136 F167 R170 F171 R176 Y179	I86-I174 HydrophobicContact CG2-CD1 4.28Å; I86-I174 HydrophobicContact CG2-CG2 4.15Å; I90-I174 HydrophobicContact CD1-CD1 4.06Å; I90-I174 HydrophobicContact CD1-CG2 3.9Å; F136-I174 HydrophobicContact CE1-CG2 3.99Å; F136-I174 HydrophobicContact CZ-CG2 4.16Å; F167-I174 HydrophobicContact CD1-CD1 3.84Å; R170-I174 HydrophobicContact CB-CD1 4.23Å; R170-I174 WeakPolarHBondContact O-CG1 3.32Å; R170-I174 PolarHBondContact O-N 3.16Å; R170-I174 VanDerWaalsContact O-N 3.11Å; F171-I174 PolarHBondContact O-N 3.03Å; F171-I174 VanDerWaalsContact O-N 3.08Å; I174-R176 VanDerWaalsContact C-N 3.28Å; I174-R176 PolarHBondContact O-N 3.21Å; I174-Y179 HydrophobicContact CB-CE1 4.41Å; I174-Y179 HydrophobicContact CG1-CE1 4.23Å; I174-Y179 HydrophobicContact CG1-CE2 4.1Å; I174-Y179 HydrophobicContact CG2-CD1 4.11Å; I174-Y179 HydrophobicContact CG2-CE1 3.95Å
175	R	89.1	Confident	89.5	Confident	99 Å²	99	59 Å²	59	37%	0.374	30%	0.302	S	S	.	.	S	Bend	trans	-66	-22.2	177.8	-179.9	174.6	175.4	-168	-4.3	114	F136 D137 D140 F171	F136-R175 HydrophobicContact CB-CB 4.33Å; F136-R175 HydrophobicContact CB-CG 3.75Å; F136-R175 HydrophobicContact CD1-CB 4.09Å; F136-R175 HydrophobicContact CD1-CG 4.41Å; F136-R175 HydrophobicContact CD2-CG 4.37Å; F136-R175 HydrophobicContact CG-CB 4.12Å; F136-R175 HydrophobicContact CG-CG 3.95Å; D137-R175 IonicContact OD1-CZ 3.26Å; D137-R175 IonicContact OD1-NE 2.74Å; D137-R175 PolarHBondContact OD1-NE 2.9Å; D137-R175 IonicContact OD1-NH1 3.28Å; D137-R175 IonicContact OD1-NH2 3.07Å; D137-R175 PolarHBondContact OD1-NH2 3.3Å; D140-R175 IonicContact OD2-NH1 3.15Å; F171-R175 PolarHBondContact O-N 3.14Å
176	R	88.7	Confident	89.7	Confident	170 Å²	170	57.3 Å²	57.3	64%	0.642	29%	0.292	S	S	*	.	S	Bend	trans	-66.6	135.1	-172.9	-69.1	177.4	-168	168.7	1.4	112.6	D172 I174 G178 Y179	D172-R176 WeakPolarHBondContact O-CG 3.39Å; I174-R176 VanDerWaalsContact C-N 3.28Å; I174-R176 PolarHBondContact O-N 3.21Å; R176-G178 PolarHBondContact O-N 2.78Å; R176-G178 VanDerWaalsContact O-N 3.09Å; R176-Y179 WeakPolarHBondContact O-CB 3.3Å; R176-Y179 PolarHBondContact O-N 3.35Å
177	P	80.7	Confident	89.7	Confident	136 Å²	136	55.7 Å²	55.7	88%	0.883	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	110.2	172.4	28.5	-32.4	0	0	0	108.7
178	G	87.6	Confident	89.5	Confident	75 Å²	75	57.6 Å²	57.6	77%	0.773	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.4	8	-171.5	0	0	0	0	0	114.8	R176 V180	R176-G178 PolarHBondContact O-N 2.78Å; R176-G178 VanDerWaalsContact O-N 3.09Å; G178-V180 PolarHBondContact O-N 3.49Å
179	Y	90.4	Very high	89.5	Confident	29 Å²	29	57.2 Å²	57.2	11%	0.114	29%	0.292	C	S	.	.			trans	-57.5	125.2	171.2	170.4	-113.4	0	0	0	112	I86 A173 I174 R176 P181 D185	I86-Y179 HydrophobicContact CD1-CE1 4.29Å; A173-Y179 WeakPolarHBondContact O-CD2 3.33Å; I174-Y179 HydrophobicContact CB-CE1 4.41Å; I174-Y179 HydrophobicContact CG1-CE1 4.23Å; I174-Y179 HydrophobicContact CG1-CE2 4.1Å; I174-Y179 HydrophobicContact CG2-CD1 4.11Å; I174-Y179 HydrophobicContact CG2-CE1 3.95Å; R176-Y179 WeakPolarHBondContact O-CB 3.3Å; R176-Y179 PolarHBondContact O-N 3.35Å; Y179-P181 HydrophobicContact CD1-CG 4.47Å; Y179-P181 HydrophobicContact CE1-CB 4.42Å; Y179-P181 HydrophobicContact CE1-CG 3.74Å; Y179-P181 WeakPolarHBondContact OH-CA 3.05Å; Y179-D185 WeakPolarHBondContact OH-CB 3.43Å; Y179-D185 PolarHBondContact OH-OD2 3.44Å
180	V	91.7	Very high	89.3	Confident	69 Å²	69	51 Å²	51	42%	0.418	27%	0.268	S	S	.	.			trans	-115.5	122.2	169.8	179.3	0	0	0	0	107.9	R79 G178 T182	R79-V180 HydrophobicContact CB-CG1 4.19Å; G178-V180 PolarHBondContact O-N 3.49Å; V180-T182 PolarHBondContact O-N 3.35Å
181	P	93	Very high	89	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.			trans	-56.2	133	179.6	-29.4	37.5	0	0	0	112.9	R79 I83 I86 Y179 D185 I186	R79-P181 WeakPolarHBondContact CD-O 3.28Å; R79-P181 WeakPolarHBondContact O-CD 3.17Å; R79-P181 VanDerWaalsContact O-CG 3.31Å; R79-P181 WeakPolarHBondContact O-CG 3.25Å; I83-P181 HydrophobicContact CG1-CG 3.71Å; I86-P181 HydrophobicContact CD1-CB 3.79Å; I86-P181 HydrophobicContact CD1-CG 3.66Å; Y179-P181 HydrophobicContact CD1-CG 4.47Å; Y179-P181 HydrophobicContact CE1-CB 4.42Å; Y179-P181 HydrophobicContact CE1-CG 3.74Å; Y179-P181 WeakPolarHBondContact OH-CA 3.05Å; P181-D185 HydrophobicContact CB-CB 4.12Å; P181-I186 HydrophobicContact CB-CD1 4.48Å; P181-I186 HydrophobicContact CB-CG1 4.1Å
182	T	92.1	Very high	88.3	Confident	50 Å²	50	59.9 Å²	59.9	31%	0.307	31%	0.312	S	S	.	.			trans	-79.5	163.6	172	70.2	0	0	0	0	110.1	R170 V180 Q184 D185 I186	R170-T182 PolarHBondContact NH1-OG1 3Å; R170-T182 VanDerWaalsContact NH1-OG1 3.1Å; V180-T182 PolarHBondContact O-N 3.35Å; T182-Q184 PolarHBondContact O-N 3.28Å; T182-Q184 VanDerWaalsContact O-N 3.14Å; T182-Q184 PolarHBondContact OG1-N 2.83Å; T182-D185 PolarHBondContact N-OD2 2.96Å; T182-D185 WeakPolarHBondContact O-CB 3.29Å; T182-D185 PolarHBondContact O-N 3.23Å; T182-D185 PolarHBondContact OG1-N 2.94Å; T182-D185 PolarHBondContact OG1-OD2 2.91Å; T182-D185 VanDerWaalsContact OG1-OD2 3.06Å; T182-I186 WeakPolarHBondContact O-CG1 3.18Å; T182-I186 PolarHBondContact O-N 2.91Å
183	D	90.8	Very high	87.5	Confident	50 Å²	50	55.8 Å²	55.8	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-33.1	175.3	-61.6	-37.6	0	0	0	111.3	I68 R79 I186 L187	I68-D183 HydrophobicContact CD1-CB 4.03Å; R79-D183 IonicContact CZ-OD1 2.64Å; R79-D183 IonicContact NE-OD1 4Å; R79-D183 IonicContact NH2-OD1 2.87Å; R79-D183 PolarHBondContact NH2-OD1 2.95Å; R79-D183 IonicContact NH2-OD2 3.41Å; R79-D183 PolarHBondContact NH2-OD2 3.37Å; D183-I186 PolarHBondContact O-N 3.41Å; D183-L187 WeakPolarHBondContact O-CB 3.4Å; D183-L187 WeakPolarHBondContact O-CD1 3.47Å; D183-L187 WeakPolarHBondContact O-CG 3.48Å; D183-L187 PolarHBondContact O-N 3.15Å
184	Q	89	Confident	86.6	Confident	56 Å²	56	61 Å²	61	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-40.2	174.8	-174.3	68.4	9.2	0	0	112.9	Y166 T182 I186 L187 R188	Y166-Q184 HydrophobicContact CE1-CG 4.45Å; Y166-Q184 HydrophobicContact CE2-CG 3.79Å; Y166-Q184 WeakPolarHBondContact OH-CG 3.45Å; T182-Q184 PolarHBondContact O-N 3.28Å; T182-Q184 VanDerWaalsContact O-N 3.14Å; T182-Q184 PolarHBondContact OG1-N 2.83Å; Q184-I186 VanDerWaalsContact C-N 3.33Å; Q184-L187 PolarHBondContact O-N 2.92Å; Q184-R188 WeakPolarHBondContact O-CB 3.2Å; Q184-R188 VanDerWaalsContact O-CG 3.27Å; Q184-R188 WeakPolarHBondContact O-CG 3.39Å; Q184-R188 PolarHBondContact O-N 2.87Å
185	D	91.8	Very high	85.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-43.3	174.7	-65	-40.6	0	0	0	110.7	I86 Y166 R170 Y179 P181 T182 L187 R188 C189	I86-D185 HydrophobicContact CD1-CB 4.11Å; Y166-D185 VanDerWaalsContact CE1-OD1 3.25Å; Y166-D185 WeakPolarHBondContact CE1-OD1 3.21Å; Y166-D185 PolarHBondContact OH-OD1 2.79Å; Y166-D185 VanDerWaalsContact OH-OD1 3.1Å; R170-D185 IonicContact CZ-OD1 3.29Å; R170-D185 IonicContact CZ-OD2 2.6Å; R170-D185 IonicContact NE-OD1 2.64Å; R170-D185 IonicContact NH1-OD1 3.57Å; R170-D185 PolarHBondContact NH1-OD1 2.91Å; R170-D185 IonicContact NH1-OD2 3.95Å; R170-D185 PolarHBondContact NH1-OD2 2.86Å; R170-D185 IonicContact NH2-OD2 3.06Å; R170-D185 PolarHBondContact NH2-OD2 3.19Å; Y179-D185 WeakPolarHBondContact OH-CB 3.43Å; Y179-D185 PolarHBondContact OH-OD2 3.44Å; P181-D185 HydrophobicContact CB-CB 4.12Å; T182-D185 PolarHBondContact N-OD2 2.96Å; T182-D185 WeakPolarHBondContact O-CB 3.29Å; T182-D185 PolarHBondContact O-N 3.23Å; T182-D185 PolarHBondContact OG1-N 2.94Å; T182-D185 PolarHBondContact OG1-OD2 2.91Å; T182-D185 VanDerWaalsContact OG1-OD2 3.06Å; D185-L187 PolarHBondContact O-N 3.45Å; D185-R188 PolarHBondContact O-N 3.37Å; D185-C189 VanDerWaalsContact O-CB 3.23Å; D185-C189 WeakPolarHBondContact O-CB 3.49Å; D185-C189 PolarHBondContact O-N 3.46Å
186	I	91.3	Very high	85	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-40.6	179.3	-63.1	168.2	0	0	0	111	K64 F74 R79 Y82 P181 T182 D183 Q184 C189	K64-I186 HydrophobicContact CD-CG2 4.26Å; K64-I186 WeakPolarHBondContact CD-O 3.39Å; K64-I186 PolarHBondContact NZ-O 3.33Å; F74-I186 HydrophobicContact CB-CD1 4.06Å; F74-I186 HydrophobicContact CD1-CG2 4.38Å; F74-I186 HydrophobicContact CD2-CD1 3.88Å; F74-I186 HydrophobicContact CD2-CG2 4.09Å; F74-I186 HydrophobicContact CE1-CG2 3.98Å; F74-I186 HydrophobicContact CE2-CB 4.4Å; F74-I186 HydrophobicContact CE2-CG2 3.67Å; F74-I186 HydrophobicContact CG-CD1 3.91Å; F74-I186 HydrophobicContact CG-CG2 4.44Å; F74-I186 HydrophobicContact CZ-CG2 3.63Å; R79-I186 HydrophobicContact CG-CD1 3.87Å; Y82-I186 HydrophobicContact CD1-CG2 4.36Å; Y82-I186 HydrophobicContact CD2-CD1 4.2Å; Y82-I186 HydrophobicContact CD2-CG1 3.98Å; Y82-I186 HydrophobicContact CD2-CG2 4Å; Y82-I186 HydrophobicContact CE1-CG2 4.04Å; Y82-I186 HydrophobicContact CE2-CG1 4.49Å; Y82-I186 HydrophobicContact CE2-CG2 3.67Å; Y82-I186 HydrophobicContact CG-CG1 4.12Å; Y82-I186 HydrophobicContact CG-CG2 4.35Å; P181-I186 HydrophobicContact CB-CD1 4.48Å; P181-I186 HydrophobicContact CB-CG1 4.1Å; T182-I186 WeakPolarHBondContact O-CG1 3.18Å; T182-I186 PolarHBondContact O-N 2.91Å; D183-I186 PolarHBondContact O-N 3.41Å; Q184-I186 VanDerWaalsContact C-N 3.33Å; I186-C189 PolarHBondContact O-N 3.38Å
187	L	89.1	Confident	84.3	Confident	3 Å²	3	63 Å²	63	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-37.9	177.2	-75.3	168	0	0	0	112.7	T61 K64 Q65 I68 D183 Q184 D185	T61-L187 HydrophobicContact CG2-CB 4.44Å; T61-L187 HydrophobicContact CG2-CD2 3.97Å; K64-L187 HydrophobicContact CB-CD2 3.72Å; Q65-L187 HydrophobicContact CG-CD2 3.64Å; I68-L187 HydrophobicContact CD1-CD1 3.74Å; I68-L187 HydrophobicContact CD1-CD2 3.9Å; I68-L187 HydrophobicContact CD1-CG 3.83Å; D183-L187 WeakPolarHBondContact O-CB 3.4Å; D183-L187 WeakPolarHBondContact O-CD1 3.47Å; D183-L187 WeakPolarHBondContact O-CG 3.48Å; D183-L187 PolarHBondContact O-N 3.15Å; Q184-L187 PolarHBondContact O-N 2.92Å; D185-L187 PolarHBondContact O-N 3.45Å
188	R	88	Confident	84.1	Confident	44 Å²	44	62 Å²	62	17%	0.166	33%	0.329	C	S	.	.	H	α-helix	trans	-83.1	-20.7	-179.8	-68.7	-71.5	-171.6	138.8	-8.2	113.3	S163 Y166 F167 Q184 D185 D258	S163-R188 VanDerWaalsContact CB-O 3.22Å; S163-R188 WeakPolarHBondContact CB-O 3.41Å; S163-R188 PolarHBondContact OG-O 3.19Å; Y166-R188 HydrophobicContact CD1-CB 3.83Å; Y166-R188 HydrophobicContact CD1-CG 3.84Å; Y166-R188 HydrophobicContact CD2-CG 4.49Å; Y166-R188 HydrophobicContact CE1-CB 4.1Å; Y166-R188 HydrophobicContact CE1-CG 4.04Å; Y166-R188 HydrophobicContact CG-CB 4.47Å; Y166-R188 HydrophobicContact CG-CG 4.08Å; F167-R188 HydrophobicContact CE2-CB 4.34Å; F167-R188 HydrophobicContact CZ-CB 4.12Å; Q184-R188 WeakPolarHBondContact O-CB 3.2Å; Q184-R188 VanDerWaalsContact O-CG 3.27Å; Q184-R188 WeakPolarHBondContact O-CG 3.39Å; Q184-R188 PolarHBondContact O-N 2.87Å; D185-R188 PolarHBondContact O-N 3.37Å; R188-D258 IonicContact NH2-OD2 2.61Å
189	C	88.7	Confident	83.6	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.034	30%	0.299	C	S	.	.			trans	-64.9	130.5	178.1	174.1	0	0	0	0	111.9	K64 I85 I86 N89 F167 D185 I186	K64-C189 PolarHBondContact NZ-O 2.91Å; I85-C189 WeakPolarHBondContact CG2-SG 3.1Å; I86-C189 HydrophobicContact CG1-CB 4.21Å; N89-C189 WeakPolarHBondContact OD1-CA 3.35Å; N89-C189 PolarHBondContact OD1-SG 3.22Å; F167-C189 HydrophobicContact CZ-CB 4.13Å; D185-C189 VanDerWaalsContact O-CB 3.23Å; D185-C189 WeakPolarHBondContact O-CB 3.49Å; D185-C189 PolarHBondContact O-N 3.46Å; I186-C189 PolarHBondContact O-N 3.38Å
190	R	84.8	Confident	82.9	Confident	72 Å²	72	62.9 Å²	62.9	27%	0.272	31%	0.314	S	S	.	.			trans	-92.9	111	176	-177.6	-158	-177.9	108.1	0.8	109	E56 N89	E56-R190 IonicContact OE1-CZ 3.74Å; E56-R190 IonicContact OE1-NH1 3.62Å; E56-R190 PolarHBondContact OE1-NH1 2.78Å; E56-R190 IonicContact OE1-NH2 2.74Å; E56-R190 PolarHBondContact OE1-NH2 3.36Å; E56-R190 IonicContact OE2-NH1 2.92Å; N89-R190 PolarHBondContact ND2-O 3.48Å; N89-R190 PolarHBondContact OD1-N 2.89Å; N89-R190 PolarHBondContact OD1-O 2.72Å
191	K	83.5	Confident	81.9	Confident	122 Å²	122	60.2 Å²	60.2	53%	0.53	30%	0.297	S	S	.	.			trans	-113.6	124.2	165.7	-169.7	-176	-175.3	173.9	0	107.5	I85 T193	I85-K191 HydrophobicContact CD1-CD 3.82Å; I85-K191 HydrophobicContact CD1-CG 4.23Å; I85-K191 HydrophobicContact CG2-CB 4.27Å; I85-K191 HydrophobicContact CG2-CG 4.49Å; K191-T193 PolarHBondContact O-N 2.83Å
192	M	75.1	Confident	80.8	Confident	137 Å²	137	64.3 Å²	64.3	68%	0.675	32%	0.319	S	S	*	.			trans	-62.6	133.4	172.2	-70.4	179.1	69.5	0	0	108.4
193	T	72.6	Confident	79.5	Confident	21 Å²	21	62.8 Å²	62.8	13%	0.129	31%	0.309	C	S	.	.			trans	-93.4	102.1	-179.7	-64.8	0	0	0	0	106.9	S60 K191 N195 N197	S60-T193 PolarHBondContact OG-OG1 3.4Å; K191-T193 PolarHBondContact O-N 2.83Å; T193-N195 WeakPolarHBondContact CG2-O 3.45Å; T193-N197 VanDerWaalsContact CG2-ND2 3.29Å; T193-N197 WeakPolarHBondContact CG2-ND2 3.47Å
194	D	71.3	Confident	77.9	Confident	137 Å²	137	65.5 Å²	65.5	73%	0.733	33%	0.332	S	S	*	.			trans	-81.4	-31	-176.4	-54.4	-32.1	0	0	0	111.7
195	N	70	Confident	76.2	Confident	129 Å²	129	64.9 Å²	64.9	69%	0.69	33%	0.332	S	S	*	.	S	Bend	trans	-127.6	167.2	-175.2	-71.5	-42.9	0	0	0	111.7	T193 N197	T193-N195 WeakPolarHBondContact CG2-O 3.45Å; N195-N197 PolarHBondContact O-N 3.25Å; N195-N197 VanDerWaalsContact O-N 3.13Å
196	I	75.8	Confident	74.2	Confident	114 Å²	114	68.8 Å²	68.8	59%	0.585	37%	0.372	S	S	*	.			trans	-64.8	113.8	173.2	-59.7	173.9	0	0	0	108.6	F216	I196-F216 HydrophobicContact CG2-CB 4.2Å; I196-F216 HydrophobicContact CG2-CD1 3.65Å; I196-F216 HydrophobicContact CG2-CG 4.41Å
197	N	72.7	Confident	72.1	Confident	74 Å²	74	78 Å²	78	40%	0.396	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.5	172.7	-70.1	-36.1	0	0	0	109.2	L63 T193 N195	L63-N197 HydrophobicContact CD1-CB 4.31Å; T193-N197 VanDerWaalsContact CG2-ND2 3.29Å; T193-N197 WeakPolarHBondContact CG2-ND2 3.47Å; N195-N197 PolarHBondContact O-N 3.25Å; N195-N197 VanDerWaalsContact O-N 3.13Å
198	E	76.8	Confident	69.9	Low	116 Å²	116	88.5 Å²	88.5	54%	0.542	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.5	174.4	-173.7	169.6	-158.6	0	0	110.3	H214 G215 F216	E198-H214 IonicContact OE1-CD2 2.72Å; E198-H214 PolarHBondContact OE1-CD2 3.04Å; E198-H214 IonicContact OE1-CG 3.71Å; E198-H214 IonicContact OE1-NE2 2.87Å; E198-G215 WeakPolarHBondContact CA-O 3.28Å; E198-F216 HydrophobicContact CB-CE1 4.38Å; E198-F216 HydrophobicContact CG-CE1 4.06Å; E198-F216 HydrophobicContact CG-CZ 4.49Å
199	L	77.1	Confident	67.8	Low	26 Å²	26	89.7 Å²	89.7	14%	0.136	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.1	173.3	-172.1	70	0	0	0	110	L63 M66 K67 I71 F201 F213 H214 G215	L63-L199 HydrophobicContact CD2-CB 4.15Å; L63-L199 HydrophobicContact CD2-CD2 4.32Å; L63-L199 WeakPolarHBondContact O-CD2 3.4Å; M66-L199 HydrophobicContact CB-CD2 3.68Å; K67-L199 HydrophobicContact CB-CD1 4.3Å; K67-L199 HydrophobicContact CB-CD2 4.39Å; I71-L199 HydrophobicContact CD1-CD1 3.49Å; I71-L199 VanDerWaalsContact CD1-CD1 3.49Å; I71-L199 HydrophobicContact CD1-CD2 4.33Å; I71-L199 HydrophobicContact CD1-CG 3.89Å; L199-F201 HydrophobicContact CD2-CD1 4.18Å; L199-F201 HydrophobicContact CD2-CE1 4.2Å; L199-F201 HydrophobicContact CG-CD1 4.21Å; L199-F213 VanDerWaalsContact O-O 3.05Å; L199-H214 WeakPolarHBondContact O-CA 3.28Å; L199-G215 PolarHBondContact N-O 3.3Å; L199-G215 PolarHBondContact O-N 3.43Å; L199-G215 VanDerWaalsContact O-N 3.09Å
200	Q	75	Confident	65.7	Low	95 Å²	95	92.5 Å²	92.5	44%	0.444	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.6	177.2	-164.5	-168.9	-46.9	0	0	111.9	I71 R212 F213	I71-Q200 WeakPolarHBondContact CD1-O 3.38Å; Q200-R212 VanDerWaalsContact CD-CD 3.43Å; Q200-R212 HydrophobicContact CG-CG 3.5Å; Q200-R212 VanDerWaalsContact NE2-CD 3.29Å; Q200-F213 VanDerWaalsContact CA-O 3.27Å; Q200-F213 WeakPolarHBondContact CA-O 3.33Å
201	F	72	Confident	64.1	Low	13 Å²	13	90.2 Å²	90.2	6%	0.057	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.9	171.6	59.9	-82	0	0	0	112.2	M66 H70 I71 L199 I203 R212 F213	M66-F201 HydrophobicContact CB-CE1 4.28Å; M66-F201 HydrophobicContact CB-CZ 4.49Å; M66-F201 HydrophobicContact SD-CE1 4.18Å; M66-F201 HydrophobicContact SD-CZ 4.27Å; H70-F201 HydrophobicContact CB-CB 4.28Å; H70-F201 HydrophobicContact CB-CD2 3.46Å; H70-F201 VanDerWaalsContact CB-CD2 3.46Å; H70-F201 HydrophobicContact CB-CE2 3.84Å; H70-F201 HydrophobicContact CB-CG 3.94Å; H70-F201 AromaticContact CD2-CD2 4Å; H70-F201 AromaticContact CD2-CE2 3.4Å; H70-F201 VanDerWaalsContact CD2-CE2 3.4Å; H70-F201 WeakPolarHBondContact CD2-CE2 3.42Å; H70-F201 AromaticContact CD2-CZ 3.86Å; H70-F201 AromaticContact CG-CD2 3.65Å; H70-F201 AromaticContact CG-CE2 3.52Å; H70-F201 AromaticContact NE2-CE2 3.95Å; I71-F201 HydrophobicContact CD1-CB 3.75Å; I71-F201 HydrophobicContact CD1-CD1 4.35Å; I71-F201 HydrophobicContact CD1-CG 4.42Å; I71-F201 HydrophobicContact CG1-CB 3.61Å; I71-F201 HydrophobicContact CG1-CG 4.35Å; L199-F201 HydrophobicContact CD2-CD1 4.18Å; L199-F201 HydrophobicContact CD2-CE1 4.2Å; L199-F201 HydrophobicContact CG-CD1 4.21Å; F201-I203 HydrophobicContact CD2-CD1 4.22Å; F201-I203 HydrophobicContact CD2-CG1 3.67Å; F201-I203 HydrophobicContact CE2-CD1 3.6Å; F201-I203 HydrophobicContact CE2-CG1 3.6Å; F201-R212 CarbonylContact O-C 3.26Å; F201-R212 WeakPolarHBondContact O-CA 3.15Å; F201-F213 HydrophobicContact CD1-CB 3.95Å; F201-F213 HydrophobicContact CD2-CB 4.32Å; F201-F213 HydrophobicContact CD2-CD2 4.25Å; F201-F213 HydrophobicContact CE1-CB 3.55Å; F201-F213 HydrophobicContact CE1-CG 4.28Å; F201-F213 HydrophobicContact CE2-CB 3.99Å; F201-F213 AromaticContact CE2-CD2 3.86Å; F201-F213 HydrophobicContact CE2-CD2 3.86Å; F201-F213 AromaticContact CE2-CG 3.94Å; F201-F213 HydrophobicContact CE2-CG 3.94Å; F201-F213 HydrophobicContact CG-CB 4.31Å; F201-F213 HydrophobicContact CZ-CB 3.57Å; F201-F213 HydrophobicContact CZ-CD1 4.38Å; F201-F213 HydrophobicContact CZ-CD2 4.2Å; F201-F213 AromaticContact CZ-CG 3.78Å; F201-F213 HydrophobicContact CZ-CG 3.78Å; F201-F213 PolarHBondContact N-O 3.17Å; F201-F213 PolarHBondContact O-N 2.79Å
202	D	69.4	Low	62.5	Low	86 Å²	86	87.6 Å²	87.6	46%	0.46	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.1	177	-72.4	-18.3	0	0	0	108.8	V211	D202-V211 WeakPolarHBondContact CA-O 3.2Å
203	I	64	Low	61.5	Low	18 Å²	18	81.3 Å²	81.3	9%	0.092	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.9	171.1	-47.3	179.1	0	0	0	109.5	F201 T205 V211 F213 Q556	F201-I203 HydrophobicContact CD2-CD1 4.22Å; F201-I203 HydrophobicContact CD2-CG1 3.67Å; F201-I203 HydrophobicContact CE2-CD1 3.6Å; F201-I203 HydrophobicContact CE2-CG1 3.6Å; I203-T205 PolarHBondContact O-N 3.35Å; I203-T205 VanDerWaalsContact O-N 3.16Å; I203-V211 PolarHBondContact N-O 3.48Å; I203-V211 PolarHBondContact O-N 3.38Å; I203-F213 HydrophobicContact CB-CE2 4.17Å; I203-F213 HydrophobicContact CD1-CD2 3.58Å; I203-F213 HydrophobicContact CD1-CE2 3.1Å; I203-F213 HydrophobicContact CD1-CG 4.48Å; I203-F213 HydrophobicContact CD1-CZ 3.66Å; I203-F213 HydrophobicContact CG1-CD2 3.69Å; I203-F213 HydrophobicContact CG1-CE2 3.52Å; I203-Q556 HydrophobicContact CD1-CG 4.1Å
204	S	57.6	Low	60.6	Low	108 Å²	108	81.3 Å²	81.3	76%	0.755	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	99.2	173.1	55	0	0	0	0	109.8	G206	S204-G206 PolarHBondContact O-N 3.35Å
205	T	54.6	Low	59.5	Low	42 Å²	42	75 Å²	75	26%	0.258	40%	0.403	S	S	.	.			trans	-75.4	21.3	179.8	23.8	0	0	0	0	114.8	I203 R207 S209 I560	I203-T205 PolarHBondContact O-N 3.35Å; I203-T205 VanDerWaalsContact O-N 3.16Å; T205-R207 PolarHBondContact O-N 3.02Å; T205-S209 PolarHBondContact OG1-O 2.91Å; T205-I560 HydrophobicContact CG2-CD1 3.39Å; T205-I560 HydrophobicContact CG2-CG1 4.32Å
206	G	49.1	Very low	58.3	Low	82 Å²	82	71.7 Å²	71.7	85%	0.845	38%	0.383	S	S	*	.	S	Bend	trans	64.2	-4.1	-174.2	0	0	0	0	0	114.9	S204	S204-G206 PolarHBondContact O-N 3.35Å
207	R	46.2	Very low	57	Low	193 Å²	193	66.3 Å²	66.3	73%	0.728	36%	0.355	S	S	*	.	S	Bend	trans	-109.3	158.1	168.7	-64.7	-173.7	173.4	106.8	-3.3	108.4	T205 S209	T205-R207 PolarHBondContact O-N 3.02Å; R207-S209 PolarHBondContact O-N 2.99Å
208	K	43.5	Very low	55.5	Low	224 Å²	224	68.3 Å²	68.3	97%	0.974	36%	0.362	S	S	*	.	S	Bend	trans	-55.9	-6.7	-177.6	-76	-175.3	176.4	179.2	0	115.4
209	S	43.3	Very low	53.8	Low	70 Å²	70	65.8 Å²	65.8	49%	0.49	35%	0.354	S	S	.	.			trans	-92.4	114.3	178.6	-43.5	0	0	0	0	109.9	T205 R207	T205-S209 PolarHBondContact OG1-O 2.91Å; R207-S209 PolarHBondContact O-N 2.99Å
210	S	46.2	Very low	52.6	Low	64 Å²	64	68.7 Å²	68.7	45%	0.448	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.1	160.6	52.6	0	0	0	0	108.6
211	V	51.1	Low	51.4	Low	23 Å²	23	72.1 Å²	72.1	14%	0.139	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.1	172.4	-179.9	0	0	0	0	107.6	I47 D202 I203 F213	I47-V211 HydrophobicContact CB-CG1 4.09Å; I47-V211 HydrophobicContact CD1-CG1 3.55Å; I47-V211 HydrophobicContact CG1-CG1 3.53Å; D202-V211 WeakPolarHBondContact CA-O 3.2Å; I203-V211 PolarHBondContact N-O 3.48Å; I203-V211 PolarHBondContact O-N 3.38Å; V211-F213 HydrophobicContact CB-CE2 4.1Å; V211-F213 HydrophobicContact CG1-CD2 4.33Å; V211-F213 HydrophobicContact CG1-CE2 3.72Å; V211-F213 HydrophobicContact CG1-CZ 4.13Å; V211-F213 WeakPolarHBondContact O-CD2 3.22Å
212	R	49.9	Very low	50.5	Low	67 Å²	67	74.3 Å²	74.3	25%	0.253	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.8	177	-175.7	-178.8	-66.3	-170.6	1	109.5	C46 I47 Q200 F201 H214	C46-R212 CarbonylContact C-O 3.57Å; C46-R212 WeakPolarHBondContact CA-O 3.39Å; C46-R212 HydrophobicContact CB-CB 4.15Å; C46-R212 PolarHBondContact SG-O 2.84Å; I47-R212 PolarHBondContact N-O 3.14Å; Q200-R212 VanDerWaalsContact CD-CD 3.43Å; Q200-R212 HydrophobicContact CG-CG 3.5Å; Q200-R212 VanDerWaalsContact NE2-CD 3.29Å; F201-R212 CarbonylContact O-C 3.26Å; F201-R212 WeakPolarHBondContact O-CA 3.15Å; R212-H214 VanDerWaalsContact CD-CE1 3.44Å; R212-H214 WeakPolarHBondContact CD-CE1 3.06Å
213	F	54.1	Low	49.8	Very low	6 Å²	6	73.7 Å²	73.7	3%	0.026	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.7	172.9	-73.8	-96.7	0	0	0	110.1	I47 L49 L199 Q200 F201 I203 V211 L559	I47-F213 HydrophobicContact CB-CD1 4.22Å; I47-F213 HydrophobicContact CB-CE1 4.01Å; I47-F213 HydrophobicContact CB-CZ 4.39Å; I47-F213 HydrophobicContact CD1-CE1 4.3Å; I47-F213 HydrophobicContact CD1-CZ 4.07Å; I47-F213 HydrophobicContact CG2-CD1 4.21Å; I47-F213 HydrophobicContact CG2-CE1 3.91Å; I47-F213 VanDerWaalsContact O-CA 3.3Å; I47-F213 WeakPolarHBondContact O-CA 3.4Å; L49-F213 HydrophobicContact CD1-CD1 3.6Å; L49-F213 HydrophobicContact CD1-CE1 4.04Å; L49-F213 HydrophobicContact CG-CD1 4.05Å; L199-F213 VanDerWaalsContact O-O 3.05Å; Q200-F213 VanDerWaalsContact CA-O 3.27Å; Q200-F213 WeakPolarHBondContact CA-O 3.33Å; F201-F213 HydrophobicContact CD1-CB 3.95Å; F201-F213 HydrophobicContact CD2-CB 4.32Å; F201-F213 HydrophobicContact CD2-CD2 4.25Å; F201-F213 HydrophobicContact CE1-CB 3.55Å; F201-F213 HydrophobicContact CE1-CG 4.28Å; F201-F213 HydrophobicContact CE2-CB 3.99Å; F201-F213 AromaticContact CE2-CD2 3.86Å; F201-F213 HydrophobicContact CE2-CD2 3.86Å; F201-F213 AromaticContact CE2-CG 3.94Å; F201-F213 HydrophobicContact CE2-CG 3.94Å; F201-F213 HydrophobicContact CG-CB 4.31Å; F201-F213 HydrophobicContact CZ-CB 3.57Å; F201-F213 HydrophobicContact CZ-CD1 4.38Å; F201-F213 HydrophobicContact CZ-CD2 4.2Å; F201-F213 AromaticContact CZ-CG 3.78Å; F201-F213 HydrophobicContact CZ-CG 3.78Å; F201-F213 PolarHBondContact N-O 3.17Å; F201-F213 PolarHBondContact O-N 2.79Å; I203-F213 HydrophobicContact CB-CE2 4.17Å; I203-F213 HydrophobicContact CD1-CD2 3.58Å; I203-F213 HydrophobicContact CD1-CE2 3.1Å; I203-F213 HydrophobicContact CD1-CG 4.48Å; I203-F213 HydrophobicContact CD1-CZ 3.66Å; I203-F213 HydrophobicContact CG1-CD2 3.69Å; I203-F213 HydrophobicContact CG1-CE2 3.52Å; V211-F213 HydrophobicContact CB-CE2 4.1Å; V211-F213 HydrophobicContact CG1-CD2 4.33Å; V211-F213 HydrophobicContact CG1-CE2 3.72Å; V211-F213 HydrophobicContact CG1-CZ 4.13Å; V211-F213 WeakPolarHBondContact O-CD2 3.22Å; F213-L559 HydrophobicContact CE1-CD1 4.29Å
214	H	52.1	Low	49.5	Very low	21 Å²	21	79.2 Å²	79.2	10%	0.097	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.3	164.8	-62.6	102.1	0	0	0	108.7	C46 I47 K48 L49 E198 L199 R212 F216	C46-H214 PolarHBondContact SG-CE1 2.93Å; C46-H214 PolarHBondContact SG-ND1 2.79Å; I47-H214 PolarHBondContact O-N 3.24Å; I47-H214 VanDerWaalsContact O-N 3.17Å; K48-H214 HydrophobicContact CG-CB 4.44Å; L49-H214 CarbonylContact C-O 3.59Å; L49-H214 WeakPolarHBondContact CA-O 3.32Å; L49-H214 PolarHBondContact N-O 3.49Å; E198-H214 IonicContact OE1-CD2 2.72Å; E198-H214 PolarHBondContact OE1-CD2 3.04Å; E198-H214 IonicContact OE1-CG 3.71Å; E198-H214 IonicContact OE1-NE2 2.87Å; L199-H214 WeakPolarHBondContact O-CA 3.28Å; R212-H214 VanDerWaalsContact CD-CE1 3.44Å; R212-H214 WeakPolarHBondContact CD-CE1 3.06Å; H214-F216 HydrophobicContact CB-CE2 3.81Å; H214-F216 HydrophobicContact CB-CZ 3.98Å
215	G	50	Low	49.6	Very low	5 Å²	5	85.2 Å²	85.2	5%	0.052	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.1	173.8	0	0	0	0	0	111	L49 E198 L199	L49-G215 WeakPolarHBondContact O-CA 3.34Å; E198-G215 WeakPolarHBondContact CA-O 3.28Å; L199-G215 PolarHBondContact N-O 3.3Å; L199-G215 PolarHBondContact O-N 3.43Å; L199-G215 VanDerWaalsContact O-N 3.09Å
216	F	42.9	Very low	49.9	Very low	59 Å²	59	86.7 Å²	86.7	26%	0.259	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.2	174.1	-57.4	-81.9	0	0	0	110.8	L49 L50 L51 I196 E198 H214	L49-F216 PolarHBondContact O-N 3.41Å; L50-F216 HydrophobicContact CD1-CB 3.75Å; L51-F216 WeakPolarHBondContact CB-O 3.24Å; L51-F216 PolarHBondContact N-O 3.06Å; I196-F216 HydrophobicContact CG2-CB 4.2Å; I196-F216 HydrophobicContact CG2-CD1 3.65Å; I196-F216 HydrophobicContact CG2-CG 4.41Å; E198-F216 HydrophobicContact CB-CE1 4.38Å; E198-F216 HydrophobicContact CG-CE1 4.06Å; E198-F216 HydrophobicContact CG-CZ 4.49Å; H214-F216 HydrophobicContact CB-CE2 3.81Å; H214-F216 HydrophobicContact CB-CZ 3.98Å
217	D	49.5	Very low	50.8	Low	1 Å²	1	85.4 Å²	85.4	1%	0.005	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124	175	-171.2	1.5	0	0	0	110.4	K59 S60 L63	K59-D217 WeakPolarHBondContact CB-OD1 3.46Å; K59-D217 WeakPolarHBondContact CD-OD1 3.31Å; K59-D217 WeakPolarHBondContact CE-OD1 3.45Å; S60-D217 PolarHBondContact N-OD2 3.13Å; S60-D217 PolarHBondContact OG-OD2 3.27Å; L63-D217 HydrophobicContact CD1-CB 3.76Å
218	Q	41.1	Very low	52.1	Low	116 Å²	116	80 Å²	80	54%	0.542	39%	0.386	S	S	.	.			trans	-125.2	128.3	171.3	-169.5	175.3	11.9	0	0	110.2	K59	K59-Q218 VanDerWaalsContact CE-O 3.28Å; K59-Q218 WeakPolarHBondContact CE-O 3.18Å
219	T	41.7	Very low	53.6	Low	62 Å²	62	71 Å²	71	38%	0.38	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-97.1	138.9	176.7	46.5	0	0	0	0	110.6
220	L	51.7	Low	55.2	Low	88 Å²	88	68 Å²	68	46%	0.461	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-94.5	145	168.7	-70.2	163.6	0	0	0	108.9	V235	L220-V235 HydrophobicContact CD1-CB 4.36Å; L220-V235 HydrophobicContact CD1-CG1 3.96Å; L220-V235 HydrophobicContact CD1-CG2 3.39Å
221	L	48.4	Very low	56.7	Low	166 Å²	166	66.1 Å²	66.1	87%	0.869	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-61.1	133.9	173.1	-76.1	159.9	0	0	0	109.9
222	E	54.4	Low	58.2	Low	60 Å²	60	66.6 Å²	66.6	28%	0.28	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-84.1	135.9	-177.8	-58.3	-171	156	0	0	111	G55 R228	G55-E222 WeakPolarHBondContact CA-OE1 3.28Å; E222-R228 IonicContact OE1-CZ 3.48Å; E222-R228 IonicContact OE1-NH1 3.47Å; E222-R228 PolarHBondContact OE1-NH1 2.7Å; E222-R228 IonicContact OE1-NH2 3.24Å; E222-R228 PolarHBondContact OE1-NH2 3.2Å; E222-R228 IonicContact OE2-CZ 2.87Å; E222-R228 IonicContact OE2-NH1 3.59Å; E222-R228 IonicContact OE2-NH2 3.55Å; E222-R228 PolarHBondContact OE2-NH2 2.9Å
223	D	55.3	Low	59.7	Low	73 Å²	73	63.5 Å²	63.5	39%	0.39	31%	0.305	S	S	.	.			trans	-96.7	111.9	162.5	-176.3	-3.3	0	0	0	108.6	R225 Q226	D223-R225 PolarHBondContact O-N 2.8Å; D223-R225 WeakPolarHBondContact OD1-CB 3.46Å; D223-R225 PolarHBondContact OD1-N 3.48Å; D223-Q226 HydrophobicContact CB-CG 4.32Å; D223-Q226 PolarHBondContact O-N 3.47Å; D223-Q226 PolarHBondContact OD2-NE2 2.87Å
224	H	56.7	Low	60.9	Low	134 Å²	134	65.2 Å²	65.2	62%	0.62	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.1	-178.4	-59.1	-62.1	0	0	0	114.2
225	R	59.2	Low	62.3	Low	233 Å²	233	65.5 Å²	65.5	88%	0.879	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.1	178.9	-61.8	-178.7	177.3	-172.5	0.4	113.7	D223	D223-R225 PolarHBondContact O-N 2.8Å; D223-R225 WeakPolarHBondContact OD1-CB 3.46Å; D223-R225 PolarHBondContact OD1-N 3.48Å
226	Q	62.2	Low	64	Low	73 Å²	73	66.1 Å²	66.1	34%	0.341	32%	0.317	S	S	.	.	S	Bend	trans	-103.4	152.2	-172.7	-59.1	-167.9	10.8	0	0	111.8	D223 R228 D231	D223-Q226 HydrophobicContact CB-CG 4.32Å; D223-Q226 PolarHBondContact O-N 3.47Å; D223-Q226 PolarHBondContact OD2-NE2 2.87Å; Q226-R228 PolarHBondContact O-N 2.8Å; Q226-D231 WeakPolarHBondContact CB-OD1 3.47Å; Q226-D231 PolarHBondContact OE1-OD1 2.74Å
227	N	68.4	Low	65.9	Low	56 Å²	56	64 Å²	64	30%	0.299	31%	0.308	S	S	.	.			trans	-75.6	120.3	177.7	-177	-38.4	0	0	0	108.7	L229 I230 D231	N227-L229 PolarHBondContact O-N 2.95Å; N227-L229 PolarHBondContact OD1-N 3.35Å; N227-I230 HydrophobicContact CB-CD1 3.9Å; N227-I230 HydrophobicContact CB-CG1 4.04Å; N227-I230 WeakPolarHBondContact O-CA 3.37Å; N227-I230 WeakPolarHBondContact O-CB 3.41Å; N227-I230 PolarHBondContact O-N 3.03Å; N227-D231 PolarHBondContact O-N 3.04Å; N227-D231 VanDerWaalsContact O-N 3.09Å
228	R	71.6	Confident	67.4	Low	78 Å²	78	68.9 Å²	68.9	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-51.6	-30.7	-177.7	-66.3	-177.4	178	-108.8	-10.9	114.7	E56 E222 Q226 S232	E56-R228 IonicContact OE1-NH1 3.68Å; E56-R228 IonicContact OE1-NH2 2.8Å; E56-R228 IonicContact OE2-CZ 3.6Å; E56-R228 VanDerWaalsContact OE2-CZ 3.24Å; E56-R228 IonicContact OE2-NH1 2.87Å; E56-R228 PolarHBondContact OE2-NH1 3.33Å; E56-R228 IonicContact OE2-NH2 3.48Å; E56-R228 PolarHBondContact OE2-NH2 3.1Å; E222-R228 IonicContact OE1-CZ 3.48Å; E222-R228 IonicContact OE1-NH1 3.47Å; E222-R228 PolarHBondContact OE1-NH1 2.7Å; E222-R228 IonicContact OE1-NH2 3.24Å; E222-R228 PolarHBondContact OE1-NH2 3.2Å; E222-R228 IonicContact OE2-CZ 2.87Å; E222-R228 IonicContact OE2-NH1 3.59Å; E222-R228 IonicContact OE2-NH2 3.55Å; E222-R228 PolarHBondContact OE2-NH2 2.9Å; Q226-R228 PolarHBondContact O-N 2.8Å; R228-S232 WeakPolarHBondContact O-CB 3.26Å; R228-S232 PolarHBondContact O-N 2.93Å; R228-S232 PolarHBondContact O-OG 3.38Å
229	L	76.8	Confident	69.5	Low	36 Å²	36	64 Å²	64	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-39.4	175.5	-177.8	65.9	0	0	0	111.3	N227 S232 L233 I273 I515 F519	N227-L229 PolarHBondContact O-N 2.95Å; N227-L229 PolarHBondContact OD1-N 3.35Å; L229-S232 WeakPolarHBondContact O-CB 3.5Å; L229-S232 PolarHBondContact O-N 3.23Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.97Å; L229-I273 HydrophobicContact CD2-CD1 3.55Å; L229-I515 HydrophobicContact CD1-CG2 4.12Å; L229-I515 HydrophobicContact CD2-CG1 4.48Å; L229-F519 HydrophobicContact CD1-CE2 4.37Å
230	I	76.1	Confident	71.5	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-71.6	-40.6	-179.9	-52.3	175.1	0	0	0	110.1	N227 S232 L233 E234 W280 I433	N227-I230 HydrophobicContact CB-CD1 3.9Å; N227-I230 HydrophobicContact CB-CG1 4.04Å; N227-I230 WeakPolarHBondContact O-CA 3.37Å; N227-I230 WeakPolarHBondContact O-CB 3.41Å; N227-I230 PolarHBondContact O-N 3.03Å; I230-S232 PolarHBondContact O-N 2.93Å; I230-L233 WeakPolarHBondContact O-CB 3.39Å; I230-L233 PolarHBondContact O-N 3.01Å; I230-E234 PolarHBondContact O-N 3.5Å; I230-W280 HydrophobicContact CB-CH2 3.81Å; I230-W280 HydrophobicContact CB-CZ3 4.05Å; I230-W280 HydrophobicContact CD1-CE3 4.08Å; I230-W280 HydrophobicContact CD1-CH2 3.34Å; I230-W280 HydrophobicContact CD1-CZ2 3.8Å; I230-W280 HydrophobicContact CD1-CZ3 3.49Å; I230-W280 VanDerWaalsContact CD1-CZ3 3.49Å; I230-W280 HydrophobicContact CG1-CH2 4.15Å; I230-W280 HydrophobicContact CG1-CZ3 4.28Å; I230-W280 HydrophobicContact CG2-CE3 4.42Å; I230-W280 HydrophobicContact CG2-CH2 3.42Å; I230-W280 VanDerWaalsContact CG2-CH2 3.42Å; I230-W280 HydrophobicContact CG2-CZ3 3.22Å; I230-I433 HydrophobicContact CG2-CD1 4.4Å; I230-I433 HydrophobicContact CG2-CG2 4.05Å
231	D	77.4	Confident	72.9	Confident	24 Å²	24	60.8 Å²	60.8	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-42.6	171.5	-58.2	-1.2	0	0	0	110.4	T54 Q226 N227 L233 E234 V235	T54-D231 HydrophobicContact CG2-CB 3.89Å; Q226-D231 WeakPolarHBondContact CB-OD1 3.47Å; Q226-D231 PolarHBondContact OE1-OD1 2.74Å; N227-D231 PolarHBondContact O-N 3.04Å; N227-D231 VanDerWaalsContact O-N 3.09Å; D231-L233 PolarHBondContact O-N 3.34Å; D231-E234 PolarHBondContact O-N 2.91Å; D231-V235 WeakPolarHBondContact O-CB 3.47Å; D231-V235 VanDerWaalsContact O-CG2 3.24Å; D231-V235 WeakPolarHBondContact O-CG2 3.32Å; D231-V235 PolarHBondContact O-N 3.46Å
232	S	82.3	Confident	74.6	Confident	33 Å²	33	55.8 Å²	55.8	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-37.9	176.5	-60.4	0	0	0	0	112.9	T54 R228 L229 I230 F236	T54-S232 WeakPolarHBondContact CG2-OG 3.47Å; R228-S232 WeakPolarHBondContact O-CB 3.26Å; R228-S232 PolarHBondContact O-N 2.93Å; R228-S232 PolarHBondContact O-OG 3.38Å; L229-S232 WeakPolarHBondContact O-CB 3.5Å; L229-S232 PolarHBondContact O-N 3.23Å; I230-S232 PolarHBondContact O-N 2.93Å; S232-F236 WeakPolarHBondContact O-CB 3.47Å; S232-F236 PolarHBondContact O-N 3.13Å
233	L	81.7	Confident	76.1	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-68.2	-39.8	175.1	-74	169.2	0	0	0	111.7	L229 I230 D231 F236 E237 I433 L518 F519	L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.97Å; I230-L233 WeakPolarHBondContact O-CB 3.39Å; I230-L233 PolarHBondContact O-N 3.01Å; D231-L233 PolarHBondContact O-N 3.34Å; L233-F236 PolarHBondContact O-N 3.4Å; L233-E237 WeakPolarHBondContact O-CB 3.33Å; L233-E237 PolarHBondContact O-N 3.42Å; L233-I433 HydrophobicContact CB-CD1 3.98Å; L233-I433 HydrophobicContact CB-CG2 4.43Å; L233-I433 HydrophobicContact CD1-CG2 3.94Å; L233-L518 HydrophobicContact CD1-CB 4.47Å; L233-L518 HydrophobicContact CD2-CB 4.3Å; L233-F519 HydrophobicContact CD2-CB 4.49Å; L233-F519 HydrophobicContact CD2-CD1 3.8Å; L233-F519 HydrophobicContact CD2-CD2 3.82Å; L233-F519 HydrophobicContact CD2-CE1 3.85Å; L233-F519 HydrophobicContact CD2-CE2 3.87Å; L233-F519 HydrophobicContact CD2-CG 3.77Å; L233-F519 HydrophobicContact CD2-CZ 3.88Å; L233-F519 HydrophobicContact CG-CZ 4.35Å
234	E	78.7	Confident	77.5	Confident	41 Å²	41	64.6 Å²	64.6	19%	0.192	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-45.6	177.1	176.9	164.9	-174.8	0	0	111.3	I230 D231 F236 E237 Q238 C429 I433	I230-E234 PolarHBondContact O-N 3.5Å; D231-E234 PolarHBondContact O-N 2.91Å; E234-F236 VanDerWaalsContact C-N 3.25Å; E234-F236 PolarHBondContact O-N 2.8Å; E234-E237 PolarHBondContact O-N 3.41Å; E234-Q238 HydrophobicContact CG-CG 4.42Å; E234-Q238 WeakPolarHBondContact O-CB 3.45Å; E234-Q238 VanDerWaalsContact O-CG 3.29Å; E234-Q238 WeakPolarHBondContact O-CG 3.33Å; E234-Q238 PolarHBondContact O-N 3.29Å; E234-Q238 PolarHBondContact OE1-NE2 3.03Å; E234-Q238 VanDerWaalsContact OE1-NE2 3.13Å; E234-C429 HydrophobicContact CG-CB 4Å; E234-I433 HydrophobicContact CB-CD1 3.99Å
235	V	82.8	Confident	78.7	Confident	28 Å²	28	59.9 Å²	59.9	17%	0.17	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-41	174.4	171.9	0	0	0	0	110.7	T54 L220 D231 A239	T54-V235 HydrophobicContact CG2-CG2 4.34Å; L220-V235 HydrophobicContact CD1-CB 4.36Å; L220-V235 HydrophobicContact CD1-CG1 3.96Å; L220-V235 HydrophobicContact CD1-CG2 3.39Å; D231-V235 WeakPolarHBondContact O-CB 3.47Å; D231-V235 VanDerWaalsContact O-CG2 3.24Å; D231-V235 WeakPolarHBondContact O-CG2 3.32Å; D231-V235 PolarHBondContact O-N 3.46Å; V235-A239 WeakPolarHBondContact O-CB 3.42Å; V235-A239 PolarHBondContact O-N 3.49Å
236	F	85.1	Confident	79.6	Confident	18 Å²	18	54.8 Å²	54.8	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-44.4	175.9	179.8	-101	0	0	0	112.5	S232 L233 E234 Q238 A239 W240 M250 V252 F519 T522 K523	S232-F236 WeakPolarHBondContact O-CB 3.47Å; S232-F236 PolarHBondContact O-N 3.13Å; L233-F236 PolarHBondContact O-N 3.4Å; E234-F236 VanDerWaalsContact C-N 3.25Å; E234-F236 PolarHBondContact O-N 2.8Å; F236-Q238 PolarHBondContact O-N 3.42Å; F236-A239 PolarHBondContact O-N 2.82Å; F236-W240 HydrophobicContact CE2-CE3 4.39Å; F236-W240 HydrophobicContact CZ-CD2 4.45Å; F236-W240 AromaticContact CZ-CE3 3.88Å; F236-W240 HydrophobicContact CZ-CE3 3.88Å; F236-W240 VanDerWaalsContact O-CB 3.25Å; F236-W240 WeakPolarHBondContact O-CB 3.39Å; F236-W240 PolarHBondContact O-N 3.37Å; F236-M250 HydrophobicContact CE2-SD 4.38Å; F236-V252 HydrophobicContact CD2-CG2 4.08Å; F236-V252 HydrophobicContact CE2-CG2 3.42Å; F236-V252 VanDerWaalsContact CE2-CG2 3.42Å; F236-V252 HydrophobicContact CZ-CG2 4.2Å; F236-F519 HydrophobicContact CB-CD1 3.94Å; F236-F519 HydrophobicContact CB-CE1 3.71Å; F236-F519 AromaticContact CD1-CD1 3.62Å; F236-F519 HydrophobicContact CD1-CD1 3.62Å; F236-F519 HydrophobicContact CD1-CE1 4.29Å; F236-F519 HydrophobicContact CD2-CD1 4.13Å; F236-F519 HydrophobicContact CD2-CE1 4.39Å; F236-F519 HydrophobicContact CE1-CD1 4.15Å; F236-F519 WeakPolarHBondContact CE1-O 3.48Å; F236-F519 AromaticContact CG-CD1 3.6Å; F236-F519 HydrophobicContact CG-CD1 3.6Å; F236-F519 AromaticContact CG-CE1 3.87Å; F236-F519 HydrophobicContact CG-CE1 3.87Å; F236-T522 HydrophobicContact CD1-CG2 4.42Å; F236-K523 HydrophobicContact CE1-CG 4.08Å; F236-K523 HydrophobicContact CZ-CG 4.39Å
237	E	82.6	Confident	80.3	Confident	13 Å²	13	60.2 Å²	60.2	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-48.2	176	-173.8	-177.6	174.6	0	0	111.3	L233 E234 A239 W240 N241 C429 L432 T522	L233-E237 WeakPolarHBondContact O-CB 3.33Å; L233-E237 PolarHBondContact O-N 3.42Å; E234-E237 PolarHBondContact O-N 3.41Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.39Å; E237-W240 PolarHBondContact O-N 3.47Å; E237-N241 WeakPolarHBondContact CG-ND2 3.18Å; E237-N241 VanDerWaalsContact O-CB 3.32Å; E237-N241 WeakPolarHBondContact O-CB 3.41Å; E237-N241 PolarHBondContact O-N 2.9Å; E237-N241 PolarHBondContact O-ND2 3.23Å; E237-C429 WeakPolarHBondContact OE2-CB 3.31Å; E237-L432 VanDerWaalsContact OE1-CD2 3.31Å; E237-L432 WeakPolarHBondContact OE1-CD2 3.32Å; E237-T522 HydrophobicContact CB-CG2 3.58Å; E237-T522 HydrophobicContact CG-CG2 3.87Å
238	Q	82.2	Confident	81	Confident	104 Å²	104	60.7 Å²	60.7	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-43.3	178.7	-70	179	15.4	0	0	111.3	E234 F236 N242	E234-Q238 HydrophobicContact CG-CG 4.42Å; E234-Q238 WeakPolarHBondContact O-CB 3.45Å; E234-Q238 VanDerWaalsContact O-CG 3.29Å; E234-Q238 WeakPolarHBondContact O-CG 3.33Å; E234-Q238 PolarHBondContact O-N 3.29Å; E234-Q238 PolarHBondContact OE1-NE2 3.03Å; E234-Q238 VanDerWaalsContact OE1-NE2 3.13Å; F236-Q238 PolarHBondContact O-N 3.42Å; Q238-N242 WeakPolarHBondContact O-CB 3.35Å; Q238-N242 PolarHBondContact O-N 3.12Å; Q238-N242 VanDerWaalsContact O-N 3.08Å
239	A	84.4	Confident	81.5	Confident	13 Å²	13	58.1 Å²	58.1	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-37	177.1	0	0	0	0	0	112.3	L52 V235 F236 E237 N242 L245 M250 R533	L52-A239 HydrophobicContact CD1-CB 4.39Å; V235-A239 WeakPolarHBondContact O-CB 3.42Å; V235-A239 PolarHBondContact O-N 3.49Å; F236-A239 PolarHBondContact O-N 2.82Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.39Å; A239-N242 PolarHBondContact O-N 2.93Å; A239-L245 HydrophobicContact CB-CD1 4.34Å; A239-M250 HydrophobicContact CB-CE 3.62Å; A239-M250 WeakPolarHBondContact O-CE 3.29Å; A239-R533 PolarHBondContact O-NH1 3.45Å
240	W	83.2	Confident	81.8	Confident	10 Å²	10	57.5 Å²	57.5	4%	0.038	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-43.4	177.9	-171.7	-99.4	0	0	0	111.6	F236 E237 N242 M250 K523 C530 R533 Y535	F236-W240 HydrophobicContact CE2-CE3 4.39Å; F236-W240 HydrophobicContact CZ-CD2 4.45Å; F236-W240 AromaticContact CZ-CE3 3.88Å; F236-W240 HydrophobicContact CZ-CE3 3.88Å; F236-W240 VanDerWaalsContact O-CB 3.25Å; F236-W240 WeakPolarHBondContact O-CB 3.39Å; F236-W240 PolarHBondContact O-N 3.37Å; E237-W240 PolarHBondContact O-N 3.47Å; W240-N242 VanDerWaalsContact C-N 3.31Å; W240-N242 PolarHBondContact O-N 3.42Å; W240-M250 HydrophobicContact CD2-SD 4.48Å; W240-M250 HydrophobicContact CE3-SD 3.41Å; W240-M250 HydrophobicContact CZ3-CB 4.33Å; W240-M250 HydrophobicContact CZ3-SD 3.85Å; W240-K523 HydrophobicContact CD2-CG 4.13Å; W240-K523 HydrophobicContact CH2-CD 4.25Å; W240-K523 HydrophobicContact CZ2-CD 4.1Å; W240-K523 HydrophobicContact CZ2-CG 4.21Å; W240-C530 HydrophobicContact CZ2-CB 4.31Å; W240-R533 HydrophobicContact CH2-CB 4.04Å; W240-R533 HydrophobicContact CH2-CG 3.98Å; W240-R533 HydrophobicContact CZ2-CB 4.32Å; W240-R533 HydrophobicContact CZ3-CG 4.33Å; W240-R533 PolarHBondContact O-NH1 2.98Å; W240-R533 VanDerWaalsContact O-NH1 3.11Å; W240-Y535 AromaticContact CH2-CD1 3.7Å; W240-Y535 HydrophobicContact CH2-CD1 3.7Å; W240-Y535 HydrophobicContact CH2-CG 4.28Å; W240-Y535 HydrophobicContact CZ3-CD1 4.35Å; W240-Y535 HydrophobicContact CZ3-CG 4.5Å
241	N	82.6	Confident	82.1	Confident	73 Å²	73	59.2 Å²	59.2	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-81.2	-7.2	-179.8	-70.1	-30.7	0	0	0	114.5	E237 K243 T526	E237-N241 WeakPolarHBondContact CG-ND2 3.18Å; E237-N241 VanDerWaalsContact O-CB 3.32Å; E237-N241 WeakPolarHBondContact O-CB 3.41Å; E237-N241 PolarHBondContact O-N 2.9Å; E237-N241 PolarHBondContact O-ND2 3.23Å; N241-K243 PolarHBondContact O-N 3.29Å; N241-T526 WeakPolarHBondContact ND2-CG2 3.31Å; N241-T526 WeakPolarHBondContact OD1-CB 3.44Å; N241-T526 WeakPolarHBondContact OD1-CG2 3.28Å; N241-T526 PolarHBondContact OD1-OG1 2.77Å
242	N	84.3	Confident	82.4	Confident	62 Å²	62	59 Å²	59	33%	0.332	28%	0.28	S	S	.	.			trans	-65.5	120.3	-177.1	-169	-34	0	0	0	111	Q238 A239 W240 Y244 L245 R246	Q238-N242 WeakPolarHBondContact O-CB 3.35Å; Q238-N242 PolarHBondContact O-N 3.12Å; Q238-N242 VanDerWaalsContact O-N 3.08Å; A239-N242 PolarHBondContact O-N 2.93Å; W240-N242 VanDerWaalsContact C-N 3.31Å; W240-N242 PolarHBondContact O-N 3.42Å; N242-Y244 PolarHBondContact O-N 3.42Å; N242-Y244 VanDerWaalsContact O-N 3.15Å; N242-Y244 WeakPolarHBondContact OD1-CB 3.46Å; N242-Y244 VanDerWaalsContact OD1-CD2 3.23Å; N242-Y244 WeakPolarHBondContact OD1-CD2 3.29Å; N242-Y244 PolarHBondContact OD1-N 3.47Å; N242-L245 HydrophobicContact CB-CB 4.24Å; N242-L245 HydrophobicContact CB-CD1 4.12Å; N242-L245 HydrophobicContact CB-CG 4.12Å; N242-L245 PolarHBondContact O-N 2.92Å; N242-R246 PolarHBondContact O-N 3.48Å
243	K	84.5	Confident	82.6	Confident	144 Å²	144	60 Å²	60	63%	0.626	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32.8	178.4	67.6	-177.2	-175.2	178.4	0	113.5	N241	N241-K243 PolarHBondContact O-N 3.29Å
244	Y	84.6	Confident	82.7	Confident	174 Å²	174	60.8 Å²	60.8	68%	0.682	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-77.8	-24.5	-178.8	-58.7	-71.4	0	0	0	112.7	N242	N242-Y244 PolarHBondContact O-N 3.42Å; N242-Y244 VanDerWaalsContact O-N 3.15Å; N242-Y244 WeakPolarHBondContact OD1-CB 3.46Å; N242-Y244 VanDerWaalsContact OD1-CD2 3.23Å; N242-Y244 WeakPolarHBondContact OD1-CD2 3.29Å; N242-Y244 PolarHBondContact OD1-N 3.47Å
245	L	83.2	Confident	83	Confident	34 Å²	34	60.7 Å²	60.7	18%	0.178	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-94.7	2	-178.7	-59.9	-179.7	0	0	0	112.9	A239 N242 K247 V248 M250 R533	A239-L245 HydrophobicContact CB-CD1 4.34Å; N242-L245 HydrophobicContact CB-CB 4.24Å; N242-L245 HydrophobicContact CB-CD1 4.12Å; N242-L245 HydrophobicContact CB-CG 4.12Å; N242-L245 PolarHBondContact O-N 2.92Å; L245-K247 PolarHBondContact O-N 3.23Å; L245-V248 HydrophobicContact CD2-CB 4.49Å; L245-V248 HydrophobicContact CD2-CG2 4.13Å; L245-V248 WeakPolarHBondContact O-CB 3.28Å; L245-V248 PolarHBondContact O-N 3.07Å; L245-M250 HydrophobicContact CD1-CE 4.21Å; L245-R533 PolarHBondContact O-NE 2.98Å; L245-R533 PolarHBondContact O-NH2 3.34Å
246	R	77	Confident	83.1	Confident	126 Å²	126	62 Å²	62	48%	0.475	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36	-172.9	-175.4	178.3	-86.9	168.5	-5.8	114.4	N242	N242-R246 PolarHBondContact O-N 3.48Å
247	K	77.7	Confident	83	Confident	187 Å²	187	61.4 Å²	61.4	81%	0.813	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.8	179.2	-62.9	-174.6	178.5	-176.3	0	114	L245 R566	L245-K247 PolarHBondContact O-N 3.23Å; K247-R566 PolarHBondContact O-NH1 3Å; K247-R566 PolarHBondContact O-NH2 3.37Å
248	V	82.6	Confident	82.8	Confident	66 Å²	66	62.3 Å²	62.3	40%	0.4	29%	0.292	S	S	.	.	S	Bend	trans	-88.6	125.1	-174.5	-176.5	0	0	0	0	108.7	L245 R533	L245-V248 HydrophobicContact CD2-CB 4.49Å; L245-V248 HydrophobicContact CD2-CG2 4.13Å; L245-V248 WeakPolarHBondContact O-CB 3.28Å; L245-V248 PolarHBondContact O-N 3.07Å; V248-R533 VanDerWaalsContact O-CZ 3.29Å; V248-R533 PolarHBondContact O-NE 3.49Å; V248-R533 PolarHBondContact O-NH2 3.31Å
249	P	81.9	Confident	82.7	Confident	25 Å²	25	58.6 Å²	58.6	16%	0.162	28%	0.275	C	S	.	.			trans	-68.2	144.9	177.6	31.3	-27.9	0	0	0	109	I534 F558 R566	P249-I534 WeakPolarHBondContact CA-O 3.25Å; P249-F558 HydrophobicContact CB-CE1 4.19Å; P249-F558 HydrophobicContact CB-CZ 4.42Å; P249-R566 VanDerWaalsContact CD-NH2 3.25Å
250	M	82.3	Confident	82.5	Confident	22 Å²	22	59.7 Å²	59.7	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.4	-177.5	-80.3	-175.8	158.1	0	0	112.2	F236 A239 W240 L245 R533 I534 Y535 L536	F236-M250 HydrophobicContact CE2-SD 4.38Å; A239-M250 HydrophobicContact CB-CE 3.62Å; A239-M250 WeakPolarHBondContact O-CE 3.29Å; W240-M250 HydrophobicContact CD2-SD 4.48Å; W240-M250 HydrophobicContact CE3-SD 3.41Å; W240-M250 HydrophobicContact CZ3-CB 4.33Å; W240-M250 HydrophobicContact CZ3-SD 3.85Å; L245-M250 HydrophobicContact CD1-CE 4.21Å; M250-R533 PolarHBondContact SD-NH2 3.47Å; M250-I534 PolarHBondContact N-O 2.84Å; M250-I534 VanDerWaalsContact N-O 3.1Å; M250-Y535 CarbonylContact O-C 3.6Å; M250-Y535 WeakPolarHBondContact O-CA 3.33Å; M250-L536 PolarHBondContact O-N 3.32Å
251	I	83.8	Confident	82.3	Confident	45 Å²	45	60.5 Å²	60.5	23%	0.231	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.4	171.8	-55	177.6	0	0	0	107.5	F253 Y538 C555 F558 L559	I251-F253 HydrophobicContact CG2-CD1 4.46Å; I251-F253 HydrophobicContact CG2-CE1 3.84Å; I251-F253 HydrophobicContact CG2-CE2 3.95Å; I251-F253 HydrophobicContact CG2-CZ 3.57Å; I251-Y538 HydrophobicContact CG2-CD2 3.65Å; I251-Y538 HydrophobicContact CG2-CE2 3.94Å; I251-C555 HydrophobicContact CD1-CB 4.05Å; I251-F558 HydrophobicContact CD1-CD1 4.45Å; I251-L559 HydrophobicContact CD1-CD1 4.33Å; I251-L559 HydrophobicContact CD1-CD2 4.26Å; I251-L559 HydrophobicContact CD1-CG 4.24Å
252	V	84.1	Confident	82	Confident	18 Å²	18	61.4 Å²	61.4	11%	0.109	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.3	-178.9	-176.2	0	0	0	0	109	F236 L254 L536 F537 Y538	F236-V252 HydrophobicContact CD2-CG2 4.08Å; F236-V252 HydrophobicContact CE2-CG2 3.42Å; F236-V252 VanDerWaalsContact CE2-CG2 3.42Å; F236-V252 HydrophobicContact CZ-CG2 4.2Å; V252-L254 HydrophobicContact CG1-CD2 4.41Å; V252-L536 PolarHBondContact N-O 3.33Å; V252-F537 HydrophobicContact CB-CD1 3.59Å; V252-F537 HydrophobicContact CB-CE1 3.72Å; V252-F537 HydrophobicContact CB-CG 4.4Å; V252-F537 HydrophobicContact CG1-CD1 3.77Å; V252-F537 HydrophobicContact CG1-CE1 3.71Å; V252-F537 HydrophobicContact CG2-CD1 4.3Å; V252-F537 HydrophobicContact CG2-CE1 4.01Å; V252-F537 WeakPolarHBondContact O-CA 3.39Å; V252-Y538 PolarHBondContact O-N 3.01Å
253	F	85.8	Confident	81.6	Confident	54 Å²	54	63.3 Å²	63.3	24%	0.237	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.3	175.6	-63.1	-65.3	0	0	0	110.3	L62 I251 N255 Y538 T540 I551	L62-F253 HydrophobicContact CD2-CD2 3.87Å; L62-F253 HydrophobicContact CD2-CE2 3.72Å; L62-F253 HydrophobicContact CD2-CZ 4.46Å; I251-F253 HydrophobicContact CG2-CD1 4.46Å; I251-F253 HydrophobicContact CG2-CE1 3.84Å; I251-F253 HydrophobicContact CG2-CE2 3.95Å; I251-F253 HydrophobicContact CG2-CZ 3.57Å; F253-N255 PolarHBondContact O-N 2.85Å; F253-Y538 CarbonylContact C-O 3.56Å; F253-Y538 WeakPolarHBondContact CA-O 3.29Å; F253-Y538 HydrophobicContact CE1-CD2 4.02Å; F253-Y538 HydrophobicContact CE1-CG 4.25Å; F253-T540 HydrophobicContact CB-CG2 4.16Å; F253-T540 HydrophobicContact CD1-CG2 3.46Å; F253-T540 VanDerWaalsContact CD1-CG2 3.46Å; F253-T540 HydrophobicContact CE1-CG2 4.25Å; F253-T540 HydrophobicContact CG-CG2 4.17Å; F253-I551 HydrophobicContact CD1-CG2 4.25Å; F253-I551 HydrophobicContact CE1-CG2 3.65Å
254	L	84.7	Confident	81.4	Confident	20 Å²	20	57 Å²	57	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	87.8	169.7	-62.6	178.1	0	0	0	108.1	V252 I515 K516 F519 F537 Y538 Y539 T540	V252-L254 HydrophobicContact CG1-CD2 4.41Å; L254-I515 HydrophobicContact CD2-CG2 4.1Å; L254-K516 HydrophobicContact CD1-CB 3.78Å; L254-K516 HydrophobicContact CD1-CG 4.44Å; L254-F519 HydrophobicContact CD2-CD2 3.94Å; L254-F519 HydrophobicContact CD2-CE2 3.8Å; L254-F537 HydrophobicContact CD1-CD1 4.37Å; L254-Y538 PolarHBondContact N-O 2.64Å; L254-Y539 HydrophobicContact CB-CD1 3.87Å; L254-Y539 HydrophobicContact CB-CE1 4.17Å; L254-Y539 HydrophobicContact CD1-CD1 3.94Å; L254-Y539 HydrophobicContact CD1-CE1 3.39Å; L254-Y539 HydrophobicContact CG-CE1 4.41Å; L254-T540 PolarHBondContact O-N 2.79Å
255	N	84.1	Confident	81.1	Confident	39 Å²	39	52.3 Å²	52.3	21%	0.209	26%	0.255	C	S	.	.			trans	-85.1	169.2	-171.2	-164.6	17.6	0	0	0	113.4	S57 F253 T540 A542	S57-N255 PolarHBondContact O-ND2 2.83Å; F253-N255 PolarHBondContact O-N 2.85Å; N255-T540 CarbonylContact C-O 3.48Å; N255-T540 WeakPolarHBondContact CA-O 3.4Å; N255-T540 WeakPolarHBondContact CA-OG1 3.1Å; N255-T540 WeakPolarHBondContact CB-OG1 3.31Å; N255-T540 PolarHBondContact OD1-O 3.41Å; N255-T540 PolarHBondContact OD1-OG1 3.05Å; N255-A542 WeakPolarHBondContact ND2-CB 3.49Å; N255-A542 WeakPolarHBondContact OD1-CB 3.43Å; N255-A542 PolarHBondContact OD1-N 2.74Å
256	K	83.9	Confident	80.6	Confident	56 Å²	56	56 Å²	56	24%	0.243	28%	0.275	C	S	.	.			trans	62.8	38.3	173.9	-53.4	-179.7	-177.3	-176.6	0	114	E56 D162 D258 L259 L260 T540	E56-K256 WeakPolarHBondContact O-CE 3.38Å; E56-K256 PolarHBondContact O-NZ 3.46Å; D162-K256 WeakPolarHBondContact OD2-CE 3.48Å; D162-K256 IonicContact OD2-NZ 3.7Å; D162-K256 PolarHBondContact OD2-NZ 2.97Å; K256-D258 VanDerWaalsContact C-OD1 3.27Å; K256-D258 WeakPolarHBondContact CA-OD1 3.3Å; K256-D258 PolarHBondContact O-N 3.29Å; K256-L259 HydrophobicContact CB-CB 4.33Å; K256-L259 HydrophobicContact CB-CD1 4.11Å; K256-L259 HydrophobicContact CB-CG 4.38Å; K256-L259 HydrophobicContact CD-CD1 4.01Å; K256-L259 HydrophobicContact CG-CD1 4.31Å; K256-L259 PolarHBondContact O-N 3.24Å; K256-L260 PolarHBondContact O-N 2.72Å; K256-T540 PolarHBondContact N-O 2.61Å; K256-T540 VanDerWaalsContact N-O 3.13Å
257	I	83.3	Confident	80.4	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-30.3	178.8	-63.4	171.3	0	0	0	111.9	L260 E261 F455 L459 F501 I503 Y539 T540	I257-L260 WeakPolarHBondContact O-CB 3.23Å; I257-L260 PolarHBondContact O-N 2.64Å; I257-E261 PolarHBondContact O-N 3.41Å; I257-F455 HydrophobicContact CD1-CE2 4.49Å; I257-F455 HydrophobicContact CG2-CZ 4.35Å; I257-L459 HydrophobicContact CD1-CD2 4.14Å; I257-F501 HydrophobicContact CG2-CZ 4.46Å; I257-I503 HydrophobicContact CG2-CD1 3.97Å; I257-Y539 VanDerWaalsContact CD1-C 3.46Å; I257-Y539 HydrophobicContact CD1-CD1 3.72Å; I257-Y539 HydrophobicContact CD1-CG 3.94Å; I257-T540 PolarHBondContact N-O 2.92Å
258	D	79.1	Confident	79.9	Confident	33 Å²	33	47.9 Å²	47.9	18%	0.176	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-48.4	171.8	56.9	-37.4	0	0	0	111.6	R188 K256 L260 E261 E262 C541	R188-D258 IonicContact NH2-OD2 2.61Å; K256-D258 VanDerWaalsContact C-OD1 3.27Å; K256-D258 WeakPolarHBondContact CA-OD1 3.3Å; K256-D258 PolarHBondContact O-N 3.29Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 2.9Å; D258-E261 PolarHBondContact O-N 3.4Å; D258-E262 PolarHBondContact O-N 2.95Å; D258-C541 VanDerWaalsContact CG-SG 3.56Å
259	L	78.9	Confident	79.2	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-31.2	177.3	-58.8	-179.1	0	0	0	112.3	D162 K256 K263	D162-L259 HydrophobicContact CB-CD1 3.61Å; D162-L259 VanDerWaalsContact CG-CD1 3.43Å; K256-L259 HydrophobicContact CB-CB 4.33Å; K256-L259 HydrophobicContact CB-CD1 4.11Å; K256-L259 HydrophobicContact CB-CG 4.38Å; K256-L259 HydrophobicContact CD-CD1 4.01Å; K256-L259 HydrophobicContact CG-CD1 4.31Å; K256-L259 PolarHBondContact O-N 3.24Å; L259-K263 WeakPolarHBondContact O-CB 3.48Å; L259-K263 VanDerWaalsContact O-CG 3.28Å; L259-K263 WeakPolarHBondContact O-CG 3.17Å; L259-K263 PolarHBondContact O-N 3.43Å
260	L	81.1	Confident	78.5	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.188	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-45.3	174.1	179.4	69.3	0	0	0	110.9	K256 I257 D258 K263 I264 T508 T511 A512	K256-L260 PolarHBondContact O-N 2.72Å; I257-L260 WeakPolarHBondContact O-CB 3.23Å; I257-L260 PolarHBondContact O-N 2.64Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 2.9Å; L260-K263 PolarHBondContact O-N 2.95Å; L260-I264 HydrophobicContact CD1-CD1 4.1Å; L260-I264 HydrophobicContact CG-CD1 3.98Å; L260-I264 VanDerWaalsContact O-CG1 3.28Å; L260-I264 WeakPolarHBondContact O-CG1 3.22Å; L260-I264 PolarHBondContact O-N 2.88Å; L260-I264 VanDerWaalsContact O-N 3.07Å; L260-T508 HydrophobicContact CD2-CG2 4.35Å; L260-T508 HydrophobicContact CG-CG2 4.47Å; L260-T511 HydrophobicContact CD1-CG2 3.68Å; L260-T511 HydrophobicContact CD2-CG2 4.04Å; L260-T511 HydrophobicContact CG-CG2 4.24Å; L260-A512 HydrophobicContact CD2-CB 4.15Å
261	E	79.1	Confident	77.7	Confident	27 Å²	27	52.4 Å²	52.4	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-45	176.4	-174.4	170.8	-155.6	0	0	111.6	I257 D258 K263 I264 C265 I503 K504 T508	I257-E261 PolarHBondContact O-N 3.41Å; D258-E261 PolarHBondContact O-N 3.4Å; E261-K263 PolarHBondContact O-N 3.23Å; E261-I264 PolarHBondContact O-N 3.47Å; E261-C265 WeakPolarHBondContact O-CB 3.27Å; E261-C265 PolarHBondContact O-N 2.79Å; E261-C265 PolarHBondContact O-SG 3.27Å; E261-I503 VanDerWaalsContact OE1-CA 3.29Å; E261-I503 WeakPolarHBondContact OE1-CA 3.4Å; E261-K504 PolarHBondContact OE1-N 2.95Å; E261-T508 HydrophobicContact CB-CG2 3.91Å; E261-T508 HydrophobicContact CG-CG2 4.37Å
262	E	76.3	Confident	76.7	Confident	92 Å²	92	56.4 Å²	56.4	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-45.5	178.1	-175.1	176.4	179.1	0	0	111.7	D258 I264 C265 N266	D258-E262 PolarHBondContact O-N 2.95Å; E262-I264 PolarHBondContact O-N 3.37Å; E262-C265 PolarHBondContact O-N 3.4Å; E262-N266 VanDerWaalsContact O-CG 3.26Å; E262-N266 PolarHBondContact O-N 3.37Å; E262-N266 PolarHBondContact O-ND2 3.48Å
263	K	75.5	Confident	75.9	Confident	103 Å²	103	56.5 Å²	56.5	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177.7	-75.5	176.9	-179.1	-178.1	0	112.3	L259 L260 E261 N266 G267 H268	L259-K263 WeakPolarHBondContact O-CB 3.48Å; L259-K263 VanDerWaalsContact O-CG 3.28Å; L259-K263 WeakPolarHBondContact O-CG 3.17Å; L259-K263 PolarHBondContact O-N 3.43Å; L260-K263 PolarHBondContact O-N 2.95Å; E261-K263 PolarHBondContact O-N 3.23Å; K263-N266 PolarHBondContact O-N 2.97Å; K263-G267 PolarHBondContact O-N 2.9Å; K263-H268 HydrophobicContact CB-CB 4.31Å; K263-H268 VanDerWaalsContact O-CB 3.31Å; K263-H268 WeakPolarHBondContact O-CB 3.41Å; K263-H268 PolarHBondContact O-CD2 3.01Å; K263-H268 PolarHBondContact O-N 3.01Å
264	I	80.3	Confident	75	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-67.1	-41.3	178	-68.9	169.9	0	0	0	110.7	L260 E261 E262 N266 G267 H505 E507 T508 T511	L260-I264 HydrophobicContact CD1-CD1 4.1Å; L260-I264 HydrophobicContact CG-CD1 3.98Å; L260-I264 VanDerWaalsContact O-CG1 3.28Å; L260-I264 WeakPolarHBondContact O-CG1 3.22Å; L260-I264 PolarHBondContact O-N 2.88Å; L260-I264 VanDerWaalsContact O-N 3.07Å; E261-I264 PolarHBondContact O-N 3.47Å; E262-I264 PolarHBondContact O-N 3.37Å; I264-N266 PolarHBondContact O-N 3.48Å; I264-G267 PolarHBondContact O-N 2.86Å; I264-H505 VanDerWaalsContact CG2-ND1 3.33Å; I264-H505 WeakPolarHBondContact CG2-ND1 3.25Å; I264-E507 HydrophobicContact CG2-CB 3.93Å; I264-T508 HydrophobicContact CD1-CG2 4.38Å; I264-T511 HydrophobicContact CD1-CG2 3.95Å
265	C	79.1	Confident	74.1	Confident	75 Å²	75	59 Å²	59	51%	0.507	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-34	174.8	-65.9	0	0	0	0	112.3	E261 E262 G267	E261-C265 WeakPolarHBondContact O-CB 3.27Å; E261-C265 PolarHBondContact O-N 2.79Å; E261-C265 PolarHBondContact O-SG 3.27Å; E262-C265 PolarHBondContact O-N 3.4Å; C265-G267 PolarHBondContact O-N 3.3Å
266	N	73	Confident	73.3	Confident	111 Å²	111	60.4 Å²	60.4	59%	0.594	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	5.2	175.3	-66.5	-16	0	0	0	113.5	E262 K263 I264	E262-N266 VanDerWaalsContact O-CG 3.26Å; E262-N266 PolarHBondContact O-N 3.37Å; E262-N266 PolarHBondContact O-ND2 3.48Å; K263-N266 PolarHBondContact O-N 2.97Å; I264-N266 PolarHBondContact O-N 3.48Å
267	G	71.4	Confident	72.5	Confident	58 Å²	58	57.9 Å²	57.9	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	6.1	175.7	0	0	0	0	0	115	K263 I264 C265 R269	K263-G267 PolarHBondContact O-N 2.9Å; I264-G267 PolarHBondContact O-N 2.86Å; C265-G267 PolarHBondContact O-N 3.3Å; G267-R269 PolarHBondContact O-N 3.18Å
268	H	68.2	Low	71.8	Confident	85 Å²	85	61 Å²	61	39%	0.394	32%	0.315	S	S	.	.			trans	-75.3	116	174.5	-63.8	-74.1	0	0	0	110.5	K263	K263-H268 HydrophobicContact CB-CB 4.31Å; K263-H268 VanDerWaalsContact O-CB 3.31Å; K263-H268 WeakPolarHBondContact O-CB 3.41Å; K263-H268 PolarHBondContact O-CD2 3.01Å; K263-H268 PolarHBondContact O-N 3.01Å
269	R	67.1	Low	71.2	Confident	136 Å²	136	61.7 Å²	61.7	51%	0.513	32%	0.324	S	S	.	.			trans	-103	149.3	176.6	-69.2	-174.3	164.3	172	-3.2	111.9	G267 D271 H272 E507	G267-R269 PolarHBondContact O-N 3.18Å; R269-D271 PolarHBondContact O-N 2.97Å; R269-H272 PolarHBondContact O-CD2 3.33Å; R269-E507 IonicContact CZ-OE1 3.28Å; R269-E507 IonicContact NE-OE1 2.72Å; R269-E507 IonicContact NE-OE2 2.74Å; R269-E507 IonicContact NH2-OE1 3.01Å; R269-E507 PolarHBondContact NH2-OE1 3.43Å; R269-E507 IonicContact NH2-OE2 3.11Å
270	I	68.6	Low	70.6	Confident	24 Å²	24	63 Å²	63	12%	0.123	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-4.2	177.7	-78.1	-159.9	0	0	0	113.4	H272 I273 Y442 T511 Y514 I515	I270-H272 PolarHBondContact O-N 3.36Å; I270-I273 HydrophobicContact CD1-CD1 4.26Å; I270-I273 HydrophobicContact CG1-CD1 4.38Å; I270-I273 HydrophobicContact CG2-CB 4.2Å; I270-I273 HydrophobicContact CG2-CD1 3.8Å; I270-I273 HydrophobicContact CG2-CG1 4.01Å; I270-I273 WeakPolarHBondContact O-CB 3.38Å; I270-I273 WeakPolarHBondContact O-CG1 3.48Å; I270-I273 PolarHBondContact O-N 3.28Å; I270-Y442 HydrophobicContact CG2-CD2 4.37Å; I270-Y442 HydrophobicContact CG2-CG 4.24Å; I270-T511 HydrophobicContact CD1-CG2 3.13Å; I270-T511 HydrophobicContact CG1-CG2 3.85Å; I270-Y514 HydrophobicContact CG2-CD1 4.29Å; I270-Y514 HydrophobicContact CG2-CE1 4.2Å; I270-I515 HydrophobicContact CD1-CD1 4.05Å; I270-I515 HydrophobicContact CD1-CG1 4.23Å
271	D	63.8	Low	70.1	Confident	49 Å²	49	62.6 Å²	62.6	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-52.9	-29.2	-178	-57.5	-28.7	0	0	0	113	R269 I273 Q274 Y442	R269-D271 PolarHBondContact O-N 2.97Å; D271-I273 PolarHBondContact O-N 2.97Å; D271-Q274 PolarHBondContact O-N 3.32Å; D271-Y442 WeakPolarHBondContact OD1-CD1 3.16Å
272	H	64.3	Low	69.5	Low	129 Å²	129	67 Å²	67	60%	0.597	35%	0.346	S	S	*	.	H	α-helix	trans	-60.5	-26.6	174.7	-61.2	-67.2	0	0	0	114.3	R269 I270 Q274 N275 L276	R269-H272 PolarHBondContact O-CD2 3.33Å; I270-H272 PolarHBondContact O-N 3.36Å; H272-Q274 VanDerWaalsContact C-N 3.34Å; H272-N275 PolarHBondContact O-N 3.42Å; H272-L276 WeakPolarHBondContact O-CB 3.48Å; H272-L276 VanDerWaalsContact O-CG 3.29Å; H272-L276 WeakPolarHBondContact O-CG 3.35Å; H272-L276 PolarHBondContact O-N 3.08Å
273	I	66.3	Low	69	Low	19 Å²	19	65.9 Å²	65.9	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-36.4	-179.5	-58	-168.4	0	0	0	111	L229 I270 D271 L276 A277 V437	L229-I273 HydrophobicContact CD2-CD1 3.55Å; I270-I273 HydrophobicContact CD1-CD1 4.26Å; I270-I273 HydrophobicContact CG1-CD1 4.38Å; I270-I273 HydrophobicContact CG2-CB 4.2Å; I270-I273 HydrophobicContact CG2-CD1 3.8Å; I270-I273 HydrophobicContact CG2-CG1 4.01Å; I270-I273 WeakPolarHBondContact O-CB 3.38Å; I270-I273 WeakPolarHBondContact O-CG1 3.48Å; I270-I273 PolarHBondContact O-N 3.28Å; D271-I273 PolarHBondContact O-N 2.97Å; I273-L276 PolarHBondContact O-N 3.3Å; I273-A277 WeakPolarHBondContact O-CB 3.44Å; I273-A277 PolarHBondContact O-N 3Å; I273-V437 HydrophobicContact CG2-CG1 4.06Å
274	Q	66.7	Low	68.2	Low	34 Å²	34	62 Å²	62	16%	0.159	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-45.7	175.2	-174.1	178.9	-21.6	0	0	110.7	D271 H272 L276 A277 E278 P441	D271-Q274 PolarHBondContact O-N 3.32Å; H272-Q274 VanDerWaalsContact C-N 3.34Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 2.81Å; Q274-A277 WeakPolarHBondContact O-CB 3.46Å; Q274-A277 PolarHBondContact O-N 3.35Å; Q274-A277 VanDerWaalsContact O-N 3.15Å; Q274-E278 PolarHBondContact NE2-OE1 3.07Å; Q274-E278 WeakPolarHBondContact O-CG 3.46Å; Q274-E278 PolarHBondContact O-N 3.4Å; Q274-P441 VanDerWaalsContact OE1-CB 3.3Å
275	N	66.9	Low	66.9	Low	94 Å²	94	67.9 Å²	67.9	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-38.2	177.1	-65.4	-20.1	0	0	0	112	H272 E278 A279	H272-N275 PolarHBondContact O-N 3.42Å; N275-E278 PolarHBondContact O-N 3.28Å; N275-A279 VanDerWaalsContact O-CB 3.3Å; N275-A279 WeakPolarHBondContact O-CB 3.46Å; N275-A279 PolarHBondContact O-N 3.44Å
276	L	66	Low	65.3	Low	67 Å²	67	68.4 Å²	68.4	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-44.8	174.5	-75.2	169.9	0	0	0	111.8	H272 I273 Q274 E278 A279 W280	H272-L276 WeakPolarHBondContact O-CB 3.48Å; H272-L276 VanDerWaalsContact O-CG 3.29Å; H272-L276 WeakPolarHBondContact O-CG 3.35Å; H272-L276 PolarHBondContact O-N 3.08Å; I273-L276 PolarHBondContact O-N 3.3Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 2.81Å; L276-E278 VanDerWaalsContact C-N 3.35Å; L276-E278 PolarHBondContact O-N 2.98Å; L276-A279 PolarHBondContact O-N 3.28Å; L276-W280 WeakPolarHBondContact O-CB 3.47Å; L276-W280 PolarHBondContact O-N 2.94Å
277	A	67.1	Low	63.9	Low	3 Å²	3	67.4 Å²	67.4	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-42.9	176.5	0	0	0	0	0	111.6	I273 Q274 W280 L281 A434 V437	I273-A277 WeakPolarHBondContact O-CB 3.44Å; I273-A277 PolarHBondContact O-N 3Å; Q274-A277 WeakPolarHBondContact O-CB 3.46Å; Q274-A277 PolarHBondContact O-N 3.35Å; Q274-A277 VanDerWaalsContact O-N 3.15Å; A277-W280 PolarHBondContact O-N 3.42Å; A277-L281 VanDerWaalsContact O-CG 3.31Å; A277-L281 WeakPolarHBondContact O-CG 3.36Å; A277-L281 PolarHBondContact O-N 3.01Å; A277-A434 HydrophobicContact CB-CB 4.27Å; A277-V437 HydrophobicContact CB-CB 3.66Å; A277-V437 HydrophobicContact CB-CG1 3.47Å; A277-V437 VanDerWaalsContact CB-CG1 3.47Å
278	E	68.9	Low	62.2	Low	71 Å²	71	71 Å²	71	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-44.6	174.7	-72.3	176	-164.2	0	0	111.7	Q274 N275 L276 W280 L281 Q282	Q274-E278 PolarHBondContact NE2-OE1 3.07Å; Q274-E278 WeakPolarHBondContact O-CG 3.46Å; Q274-E278 PolarHBondContact O-N 3.4Å; N275-E278 PolarHBondContact O-N 3.28Å; L276-E278 VanDerWaalsContact C-N 3.35Å; L276-E278 PolarHBondContact O-N 2.98Å; E278-W280 VanDerWaalsContact C-N 3.3Å; E278-W280 PolarHBondContact O-N 2.74Å; E278-L281 PolarHBondContact O-N 3.42Å; E278-Q282 WeakPolarHBondContact O-CB 3.41Å; E278-Q282 VanDerWaalsContact O-CG 3.28Å; E278-Q282 WeakPolarHBondContact O-CG 3.39Å; E278-Q282 PolarHBondContact O-N 2.82Å
279	A	67.5	Low	60.6	Low	46 Å²	46	74.1 Å²	74.1	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-39.5	175.5	0	0	0	0	0	112	N275 L276 Q282 S283	N275-A279 VanDerWaalsContact O-CB 3.3Å; N275-A279 WeakPolarHBondContact O-CB 3.46Å; N275-A279 PolarHBondContact O-N 3.44Å; L276-A279 PolarHBondContact O-N 3.28Å; A279-Q282 PolarHBondContact O-N 3.3Å; A279-S283 PolarHBondContact O-N 3.47Å
280	W	65.2	Low	59	Low	54 Å²	54	76.7 Å²	76.7	21%	0.205	39%	0.391	C	S	.	.	H	α-helix	trans	-68.4	-38.8	174.7	-75.7	10.5	0	0	0	112.8	I230 L276 A277 E278 Q282 S283 A284 T430 A434	I230-W280 HydrophobicContact CB-CH2 3.81Å; I230-W280 HydrophobicContact CB-CZ3 4.05Å; I230-W280 HydrophobicContact CD1-CE3 4.08Å; I230-W280 HydrophobicContact CD1-CH2 3.34Å; I230-W280 HydrophobicContact CD1-CZ2 3.8Å; I230-W280 HydrophobicContact CD1-CZ3 3.49Å; I230-W280 VanDerWaalsContact CD1-CZ3 3.49Å; I230-W280 HydrophobicContact CG1-CH2 4.15Å; I230-W280 HydrophobicContact CG1-CZ3 4.28Å; I230-W280 HydrophobicContact CG2-CE3 4.42Å; I230-W280 HydrophobicContact CG2-CH2 3.42Å; I230-W280 VanDerWaalsContact CG2-CH2 3.42Å; I230-W280 HydrophobicContact CG2-CZ3 3.22Å; L276-W280 WeakPolarHBondContact O-CB 3.47Å; L276-W280 PolarHBondContact O-N 2.94Å; A277-W280 PolarHBondContact O-N 3.42Å; E278-W280 VanDerWaalsContact C-N 3.3Å; E278-W280 PolarHBondContact O-N 2.74Å; W280-Q282 VanDerWaalsContact C-N 3.31Å; W280-Q282 PolarHBondContact O-N 3.01Å; W280-S283 PolarHBondContact O-N 2.97Å; W280-S283 PolarHBondContact O-OG 2.63Å; W280-A284 WeakPolarHBondContact O-CB 3.49Å; W280-A284 PolarHBondContact O-N 2.92Å; W280-T430 HydrophobicContact CD2-CG2 4.04Å; W280-T430 HydrophobicContact CE3-CG2 3.33Å; W280-T430 HydrophobicContact CH2-CG2 3.69Å; W280-T430 HydrophobicContact CZ2-CG2 4.4Å; W280-T430 HydrophobicContact CZ3-CG2 3.09Å; W280-A434 HydrophobicContact CB-CB 4.04Å; W280-A434 HydrophobicContact CE3-CB 4.36Å
281	L	71.4	Confident	57.4	Low	27 Å²	27	80.7 Å²	80.7	14%	0.141	42%	0.417	C	S	.	.	H	α-helix	trans	-64.8	-38.5	173.3	-71.3	170.4	0	0	0	111.6	A277 E278 A284 K285 T431 A434 R435 A438	A277-L281 VanDerWaalsContact O-CG 3.31Å; A277-L281 WeakPolarHBondContact O-CG 3.36Å; A277-L281 PolarHBondContact O-N 3.01Å; E278-L281 PolarHBondContact O-N 3.42Å; L281-A284 PolarHBondContact O-N 3.47Å; L281-K285 VanDerWaalsContact O-CG 3.28Å; L281-K285 WeakPolarHBondContact O-CG 3.21Å; L281-K285 PolarHBondContact O-N 2.81Å; L281-T431 HydrophobicContact CD2-CG2 4.4Å; L281-A434 HydrophobicContact CD2-CB 4.02Å; L281-A434 HydrophobicContact CG-CB 3.87Å; L281-R435 HydrophobicContact CD2-CB 4.41Å; L281-R435 HydrophobicContact CD2-CG 3.43Å; L281-R435 VanDerWaalsContact CD2-CG 3.43Å; L281-A438 HydrophobicContact CD1-CB 3.62Å
282	Q	66.7	Low	55.8	Low	119 Å²	119	87.2 Å²	87.2	56%	0.556	44%	0.443	S	S	*	.	H	α-helix	trans	-66.3	-43.7	175.6	-71.3	175.1	14	0	0	111.5	E278 A279 W280 A284 K285 C286	E278-Q282 WeakPolarHBondContact O-CB 3.41Å; E278-Q282 VanDerWaalsContact O-CG 3.28Å; E278-Q282 WeakPolarHBondContact O-CG 3.39Å; E278-Q282 PolarHBondContact O-N 2.82Å; A279-Q282 PolarHBondContact O-N 3.3Å; W280-Q282 VanDerWaalsContact C-N 3.31Å; W280-Q282 PolarHBondContact O-N 3.01Å; Q282-A284 VanDerWaalsContact C-N 3.3Å; Q282-A284 PolarHBondContact O-N 2.69Å; Q282-K285 PolarHBondContact O-N 3.18Å; Q282-K285 VanDerWaalsContact O-N 3.13Å; Q282-C286 PolarHBondContact O-N 3.01Å; Q282-C286 PolarHBondContact O-SG 3.49Å; Q282-C286 VanDerWaalsContact O-SG 3.41Å
283	S	65.6	Low	54.1	Low	69 Å²	69	89.1 Å²	89.1	48%	0.483	46%	0.458	S	S	.	.	H	α-helix	trans	-63	-37.9	176.4	76	0	0	0	0	111.9	A279 W280 S287	A279-S283 PolarHBondContact O-N 3.47Å; W280-S283 PolarHBondContact O-N 2.97Å; W280-S283 PolarHBondContact O-OG 2.63Å; S283-S287 PolarHBondContact O-N 2.76Å; S283-S287 VanDerWaalsContact O-N 3.13Å; S283-S287 PolarHBondContact O-OG 2.92Å
284	A	57.4	Low	52.3	Low	20 Å²	20	91.1 Å²	91.1	17%	0.165	48%	0.483	C	S	.	.	H	α-helix	trans	-67.1	-35.2	173.4	0	0	0	0	0	112.9	W280 L281 Q282 T431	W280-A284 WeakPolarHBondContact O-CB 3.49Å; W280-A284 PolarHBondContact O-N 2.92Å; L281-A284 PolarHBondContact O-N 3.47Å; Q282-A284 VanDerWaalsContact C-N 3.3Å; Q282-A284 PolarHBondContact O-N 2.69Å; A284-T431 HydrophobicContact CB-CG2 4.22Å
285	K	54.8	Low	50.4	Low	135 Å²	135	97.3 Å²	97.3	59%	0.587	52%	0.517	S	S	*	.	H	α-helix	trans	-70.5	-43.9	174.2	-75	173.8	-176.4	-180	0	111.9	L281 Q282 S287 R288	L281-K285 VanDerWaalsContact O-CG 3.28Å; L281-K285 WeakPolarHBondContact O-CG 3.21Å; L281-K285 PolarHBondContact O-N 2.81Å; Q282-K285 PolarHBondContact O-N 3.18Å; Q282-K285 VanDerWaalsContact O-N 3.13Å; K285-S287 VanDerWaalsContact C-N 3.26Å; K285-S287 PolarHBondContact O-N 3.14Å; K285-R288 WeakPolarHBondContact O-CB 3.37Å; K285-R288 PolarHBondContact O-N 3.03Å
286	C	44.2	Very low	48.7	Very low	87 Å²	87	104.3 Å²	104.3	59%	0.588	54%	0.536	S	S	*	.	H	α-helix	trans	-64.5	-30.2	178.8	-72.3	0	0	0	0	112.8	Q282 R288	Q282-C286 PolarHBondContact O-N 3.01Å; Q282-C286 PolarHBondContact O-SG 3.49Å; Q282-C286 VanDerWaalsContact O-SG 3.41Å; C286-R288 VanDerWaalsContact C-N 3.26Å; C286-R288 PolarHBondContact O-N 2.88Å
287	S	43.6	Very low	46.9	Very low	90 Å²	90	106.5 Å²	106.5	63%	0.629	56%	0.557	S	S	*	*	H	α-helix	trans	-69.4	-20.9	172.9	-67.1	0	0	0	0	113.6	S283 K285	S283-S287 PolarHBondContact O-N 2.76Å; S283-S287 VanDerWaalsContact O-N 3.13Å; S283-S287 PolarHBondContact O-OG 2.92Å; K285-S287 VanDerWaalsContact C-N 3.26Å; K285-S287 PolarHBondContact O-N 3.14Å
288	R	35.6	Very low	45	Very low	132 Å²	132	116 Å²	116	50%	0.498	60%	0.598	S	S	.	*	H	α-helix	trans	-84.9	-22.4	178	-67.4	178.8	-166.1	177.7	1.5	114.1	K285 C286 T291	K285-R288 WeakPolarHBondContact O-CB 3.37Å; K285-R288 PolarHBondContact O-N 3.03Å; C286-R288 VanDerWaalsContact C-N 3.26Å; C286-R288 PolarHBondContact O-N 2.88Å; R288-T291 PolarHBondContact O-OG1 3.34Å
289	H	35.9	Very low	43.3	Very low	152 Å²	152	121.4 Å²	121.4	70%	0.704	62%	0.62	S	S	*	*	H	α-helix	trans	-88.1	-17.2	-179.8	-77.7	-65.8	0	0	0	114.3	T291	H289-T291 VanDerWaalsContact C-N 3.27Å; H289-T291 PolarHBondContact O-N 2.73Å
290	K	33.2	Very low	41.5	Very low	190 Å²	190	125.8 Å²	125.8	83%	0.826	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-1.9	177.1	-81.2	-176.2	176	177	0	114.8
291	T	33.8	Very low	39.7	Very low	108 Å²	108	128 Å²	128	66%	0.663	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	4.9	179.3	34.9	0	0	0	0	114.9	R288 H289	R288-T291 PolarHBondContact O-OG1 3.34Å; H289-T291 VanDerWaalsContact C-N 3.27Å; H289-T291 PolarHBondContact O-N 2.73Å
292	F	31.3	Very low	37.7	Very low	185 Å²	185	131.8 Å²	131.8	81%	0.811	69%	0.69	S	S	*	*	S	Bend	trans	-112.1	3.4	-178.2	-148.5	-99.8	0	0	0	116
293	N	28.6	Very low	36	Very low	170 Å²	170	131.4 Å²	131.4	91%	0.909	70%	0.696	S	S	*	*	S	Bend	trans	-122.7	26.3	-177.9	-114.5	7.7	0	0	0	115.2
294	G	28.1	Very low	34.2	Very low	60 Å²	60	135.5 Å²	135.5	62%	0.619	71%	0.707	S	S	*	*	S	Bend	trans	-119.1	119.3	167.5	0	0	0	0	0	109.5
295	N	27.2	Very low	33	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	74%	0.738	S	S	*	*			trans	91.1	72.4	177.2	-55.2	-16.5	0	0	0	116.7
296	R	30.5	Very low	31.5	Very low	241 Å²	241	142.2 Å²	142.2	91%	0.909	75%	0.746	S	S	*	*			trans	-148	93.7	140.3	-114.8	176.5	-177.6	-175.6	0.1	111.1
297	S	28.5	Very low	31.1	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	76%	0.757	S	S	*	*			trans	44.7	108.8	131.5	-51	0	0	0	0	120.2
298	K	28.1	Very low	30.6	Very low	204 Å²	204	145 Å²	145	89%	0.887	76%	0.761	S	S	*	*			trans	-5.1	125.7	131.1	-68.4	173.5	173.5	175.2	0	115.5
299	K	31.7	Very low	30.2	Very low	183 Å²	183	145.8 Å²	145.8	80%	0.796	77%	0.774	S	S	*	*				171.8	133.7	118.7	-96.7	175.9	178	-178.4	0	112.6
300	N	30.5	Very low	30	Very low	139 Å²	139	146.1 Å²	146.1	74%	0.743	78%	0.781	S	S	*	*			trans	73.8	105.6	148.5	-57.6	0.7	0	0	0	117.3
301	S	28.1	Very low	29.7	Very low	100 Å²	100	145.7 Å²	145.7	70%	0.699	78%	0.779	S	S	*	*				88.7	123.2	67	68.9	0	0	0	0	114.4
302	S	27.9	Very low	29.5	Very low	106 Å²	106	146.6 Å²	146.6	74%	0.741	78%	0.784	S	S	*	*			trans	63	137.9	160	60.5	0	0	0	0	117.1
303	T	30.8	Very low	29.2	Very low	112 Å²	112	145 Å²	145	69%	0.687	79%	0.785	S	S	*	*			cis	-174.9	147.6	31.5	-13.7	0	0	0	0	108.5
304	Q	29.3	Very low	29.5	Very low	154 Å²	154	142 Å²	142	72%	0.72	78%	0.776	S	S	*	*			trans	55.9	135.9	146.2	-74.5	-179.3	28.4	0	0	119.2
305	K	31	Very low	29.6	Very low	188 Å²	188	146.9 Å²	146.9	82%	0.817	79%	0.788	S	S	*	*			cis	-168.9	144.5	28.4	-107.9	158.1	179.9	178.6	0	107.1
306	S	24.1	Very low	29.8	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	79%	0.785	S	S	*	*			trans	-96.5	164.1	165.3	32.9	0	0	0	0	111.1
307	P	34.5	Very low	29.9	Very low	126 Å²	126	138.3 Å²	138.3	82%	0.818	78%	0.776	S	S	*	*				-141.5	160.7	125.8	28.6	-10.4	0	0	0	115.6
308	P	34.6	Very low	29.9	Very low	109 Å²	109	141.3 Å²	141.3	71%	0.708	78%	0.775	S	S	*	*			trans	-128.1	171.5	-165.8	42.6	-25.7	0	0	0	117.4
309	L	27.7	Very low	29.9	Very low	148 Å²	148	139.7 Å²	139.7	78%	0.775	77%	0.77	S	S	*	*			trans	74.5	131.2	145	-74.3	158.3	0	0	0	123.9
310	L	30.7	Very low	29.6	Very low	159 Å²	159	141.9 Å²	141.9	83%	0.832	77%	0.774	S	S	*	*			trans	157.3	105.4	131.9	-87.3	148.5	0	0	0	110.1
311	K	25.8	Very low	29.4	Very low	181 Å²	181	144.1 Å²	144.1	79%	0.787	78%	0.78	S	S	*	*				67.2	126.1	84.9	-75.2	-165.8	179.4	-176.2	0	117.1
312	T	30.5	Very low	29.1	Very low	127 Å²	127	144.3 Å²	144.3	78%	0.779	78%	0.781	S	S	*	*			trans	157.2	108.6	137.8	45.6	0	0	0	0	108.7
313	D	26.1	Very low	29	Very low	153 Å²	153	148.2 Å²	148.2	82%	0.818	79%	0.79	S	S	*	*				87	117.8	80.4	-75.4	-22.6	0	0	0	114.9
314	S	33.4	Very low	28.6	Very low	105 Å²	105	147.7 Å²	147.7	73%	0.734	79%	0.79	S	S	*	*				158.8	120.9	124.7	66.9	0	0	0	0	115
315	N	30.5	Very low	28.4	Very low	163 Å²	163	145 Å²	145	87%	0.872	79%	0.789	S	S	*	*			trans	51.6	134.6	138	-54.4	-24.4	0	0	0	120.4
316	S	31	Very low	28.3	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	79%	0.785	S	S	*	*			cis	-166.1	168.4	37.7	53.9	0	0	0	0	113.4
317	P	32.4	Very low	28.4	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	78%	0.78	S	S	*	*			trans	-120	-179.2	-168.4	40.5	-25.2	0	0	0	115.5
318	F	29.9	Very low	27.9	Very low	176 Å²	176	143.6 Å²	143.6	77%	0.772	77%	0.773	S	S	*	*			trans	137.7	135.2	159.7	-96.5	-103.2	0	0	0	109.6
319	E	28.2	Very low	27.4	Very low	169 Å²	169	146.9 Å²	146.9	79%	0.79	78%	0.779	S	S	*	*			cis	-162.9	167.1	10.2	-151.4	165.7	-164.7	0	0	109.6
320	R	24	Very low	27.2	Very low	230 Å²	230	145.8 Å²	145.8	87%	0.868	78%	0.783	S	S	*	*			trans	-99.3	161.1	-166	-63.9	166.3	-176.3	179.8	3.3	113.1
321	Q	27.6	Very low	26.8	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	78%	0.779	S	S	*	*			trans	166.3	96	132.4	-90.4	169.3	27.9	0	0	107.6
322	S	21.7	Very low	26.7	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	78%	0.781	S	S	*	*				42.1	110.1	77	74.8	0	0	0	0	115.7
323	M	25.4	Very low	26.5	Very low	188 Å²	188	145.2 Å²	145.2	93%	0.926	78%	0.783	S	S	*	*				-161.6	122.8	128.1	-92.6	-60.5	178.8	0	0	108.9
324	S	22.2	Very low	26.4	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	79%	0.786	S	S	*	*			trans	-88.3	178.3	-178.7	45.9	0	0	0	0	112.8
325	S	26.2	Very low	26	Very low	99 Å²	99	147.9 Å²	147.9	69%	0.692	79%	0.787	S	S	*	*			trans	90.6	136.9	151.8	89.9	0	0	0	0	114.3
326	N	27.4	Very low	25.7	Very low	135 Å²	135	143.7 Å²	143.7	72%	0.722	77%	0.77	S	S	*	*			cis	-169.8	147.3	14.2	-104.4	-15.5	0	0	0	110.9
327	L	25.9	Very low	25.5	Very low	129 Å²	129	143.4 Å²	143.4	68%	0.675	77%	0.774	S	S	*	*			trans	62.9	116.7	133.5	-84.9	80.1	0	0	0	124.2
328	I	25.2	Very low	25.3	Very low	129 Å²	129	142.4 Å²	142.4	66%	0.662	77%	0.77	S	S	*	*				79.5	134.4	114.3	-65.2	179.4	0	0	0	121.2
329	Q	23.4	Very low	25.2	Very low	178 Å²	178	140.2 Å²	140.2	83%	0.832	77%	0.765	S	S	*	*			trans	81.3	98.4	155.1	-86.6	158.2	-1.6	0	0	119.8
330	S	24.7	Very low	25.3	Very low	124 Å²	124	140.3 Å²	140.3	87%	0.867	77%	0.765	S	S	*	*				-178.1	109.2	108.2	44.3	0	0	0	0	111.6
331	S	21.2	Very low	25.5	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	76%	0.755	S	S	*	*			trans	-83.4	132.5	163.6	52.8	0	0	0	0	109.9
332	K	24.8	Very low	25.5	Very low	193 Å²	193	134.1 Å²	134.1	84%	0.839	74%	0.744	S	S	*	*			trans	164.1	150.2	137.1	-88.8	162.3	-175.2	-175.6	0	110.5
333	L	25.2	Very low	25.8	Very low	156 Å²	156	136.9 Å²	136.9	82%	0.817	75%	0.746	S	S	*	*			trans	84.2	85.9	178	-65.4	108.6	0	0	0	117.2
334	F	25.2	Very low	26	Very low	201 Å²	201	131.2 Å²	131.2	88%	0.882	73%	0.729	S	S	*	*				-170.8	121.4	104.6	-97	-74.2	0	0	0	108.2
335	P	24.4	Very low	26.4	Very low	114 Å²	114	131.7 Å²	131.7	74%	0.74	72%	0.724	S	S	*	*			trans	-76.3	128.8	175.3	17.9	-8.1	0	0	0	110.6	A337	P335-A337 PolarHBondContact O-N 2.89Å
336	S	24.7	Very low	26.5	Very low	74 Å²	74	137.2 Å²	137.2	52%	0.517	73%	0.729	S	S	.	*			trans	8	96	150.5	58.4	0	0	0	0	118.1	S338	S336-S338 PolarHBondContact O-N 3.05Å
337	A	26.4	Very low	26.7	Very low	109 Å²	109	139.4 Å²	139.4	90%	0.901	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	25.7	159	0	0	0	0	0	112.9	P335	P335-A337 PolarHBondContact O-N 2.89Å
338	S	27.5	Very low	26.9	Very low	91 Å²	91	142 Å²	142	64%	0.636	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	12.1	-171.1	41.4	0	0	0	0	114.3	S336	S336-S338 PolarHBondContact O-N 3.05Å
339	I	28.7	Very low	27.1	Very low	130 Å²	130	140.4 Å²	140.4	67%	0.667	74%	0.739	S	S	*	*	S	Bend	trans	-116.7	-17.4	-179.2	-63.4	179.4	0	0	0	113.8
340	E	29	Very low	27.3	Very low	170 Å²	170	138.7 Å²	138.7	79%	0.794	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-89.2	-11.9	178.6	-77.8	178.6	154.8	0	0	115.3	N342 Q343	E340-N342 PolarHBondContact O-N 3.43Å; E340-Q343 PolarHBondContact O-N 3.5Å
341	Y	28.4	Very low	27.5	Very low	168 Å²	168	138.6 Å²	138.6	66%	0.659	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-65.1	-15.4	-176.3	-165.3	-98.8	0	0	0	114.6
342	N	28.3	Very low	27.8	Very low	119 Å²	119	142.4 Å²	142.4	64%	0.636	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-107.8	-0.3	-175	-75.8	-41.4	0	0	0	115.6	E340	E340-N342 PolarHBondContact O-N 3.43Å
343	Q	28.4	Very low	27.9	Very low	160 Å²	160	137 Å²	137	75%	0.748	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-27.8	175	-81.6	-177.9	-9.1	0	0	113.6	E340 N345	E340-Q343 PolarHBondContact O-N 3.5Å; Q343-N345 PolarHBondContact O-N 3.36Å
344	A	28.5	Very low	28.1	Very low	70 Å²	70	133.4 Å²	133.4	58%	0.579	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-69.6	-31.4	177.4	0	0	0	0	0	113.3	R346	A344-R346 VanDerWaalsContact C-N 3.32Å; A344-R346 PolarHBondContact O-N 2.76Å
345	N	31.1	Very low	28	Very low	111 Å²	111	131.7 Å²	131.7	59%	0.594	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-81.6	2.4	-178.2	-82.3	-27.1	0	0	0	115.3	Q343	Q343-N345 PolarHBondContact O-N 3.36Å
346	R	27.9	Very low	28.2	Very low	214 Å²	214	131.4 Å²	131.4	81%	0.808	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-99.7	-5	174.3	-74.3	-170.8	-171.3	-173	2.9	114.9	A344	A344-R346 VanDerWaalsContact C-N 3.32Å; A344-R346 PolarHBondContact O-N 2.76Å
347	K	31.3	Very low	28.3	Very low	182 Å²	182	132.4 Å²	132.4	79%	0.791	75%	0.748	S	S	*	*	S	Bend	trans	-97.3	-2.2	175.7	-75.8	-174.3	175.7	-179.8	0	114.3
348	F	30.1	Very low	28.5	Very low	183 Å²	183	132.9 Å²	132.9	80%	0.803	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	13.8	-172.1	-99.9	-81.2	0	0	0	116.3
349	S	30.5	Very low	28.4	Very low	95 Å²	95	134 Å²	134	66%	0.664	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	0.6	177.9	60.7	0	0	0	0	115.4
350	N	27.7	Very low	28.2	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	75%	0.747	S	S	*	*	S	Bend	trans	-133.1	55.5	-174.7	-70.8	-3.1	0	0	0	113.1
351	T	28.8	Very low	28.2	Very low	122 Å²	122	134.3 Å²	134.3	75%	0.748	75%	0.746	S	S	*	*			trans	-155.7	64.1	168	37.9	0	0	0	0	111.6
352	L	26.8	Very low	28	Very low	187 Å²	187	130.8 Å²	130.8	98%	0.979	75%	0.746	S	S	*	*			trans	-149.9	87.2	160.8	-97	166.8	0	0	0	107.3
353	G	27.4	Very low	28.1	Very low	80 Å²	80	132.3 Å²	132.3	83%	0.825	75%	0.753	S	S	*	*	S	Bend	trans	178.1	102.9	176.9	0	0	0	0	0	111.3
354	G	28.2	Very low	28.1	Very low	79 Å²	79	130.8 Å²	130.8	81%	0.814	75%	0.75	S	S	*	*			trans	92.4	97.8	152.1	0	0	0	0	0	117
355	D	23.4	Very low	28.2	Very low	165 Å²	165	132.9 Å²	132.9	88%	0.882	75%	0.752	S	S	*	*			trans	-57.6	139.9	152.7	-63.5	-50.6	0	0	0	111
356	S	29.6	Very low	28.2	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	76%	0.755	S	S	*	*				168.9	118.5	120.2	45.2	0	0	0	0	113.4
357	S	26.8	Very low	28.4	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	75%	0.754	S	S	*	*			trans	59.4	120.7	136.7	64.7	0	0	0	0	122.7
358	T	29.7	Very low	28.4	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	75%	0.749	S	S	*	*				77.1	105.8	127.2	56.2	0	0	0	0	120.9
359	T	26.2	Very low	28.5	Very low	114 Å²	114	125.1 Å²	125.1	70%	0.699	74%	0.743	S	S	*	*				42.9	117.5	125.2	54.3	0	0	0	0	120.7
360	D	23.4	Very low	28.5	Very low	138 Å²	138	126.8 Å²	126.8	74%	0.738	75%	0.745	S	S	*	*				78.9	135.9	129.8	-61.9	-25.4	0	0	0	122.5
361	H	29.5	Very low	28.8	Very low	168 Å²	168	126.4 Å²	126.4	78%	0.778	74%	0.743	S	S	*	*			trans	84.4	95.8	155.5	-67.3	-57.2	0	0	0	120.3
362	S	25.4	Very low	28.9	Very low	95 Å²	95	126.5 Å²	126.5	66%	0.664	74%	0.739	S	S	*	*				63.7	131.3	114.4	71.1	0	0	0	0	121.3
363	L	29.2	Very low	29.1	Very low	150 Å²	150	124.2 Å²	124.2	79%	0.785	73%	0.727	S	S	*	*			trans	92	110.7	146.9	-66.8	164.5	0	0	0	119.5
364	N	27.7	Very low	29.3	Very low	129 Å²	129	126.9 Å²	126.9	69%	0.69	72%	0.723	S	S	*	*				72.5	133.4	124.6	-95.3	31.4	0	0	0	123.1
365	D	32.2	Very low	29.6	Very low	114 Å²	114	128.5 Å²	128.5	61%	0.61	72%	0.717	S	S	*	*			trans	87.6	102.2	137.9	-62.9	-30	0	0	0	120.3
366	N	30.9	Very low	29.7	Very low	124 Å²	124	127.7 Å²	127.7	66%	0.663	71%	0.713	S	S	*	*				73.4	135.3	117.5	-65.8	-30.9	0	0	0	121.1
367	N	32.6	Very low	29.8	Very low	146 Å²	146	129.4 Å²	129.4	78%	0.781	71%	0.713	S	S	*	*			trans	76.7	148.4	150.5	-59.1	-23.8	0	0	0	116.5
368	N	30.3	Very low	29.8	Very low	129 Å²	129	131.4 Å²	131.4	69%	0.69	72%	0.715	S	S	*	*			cis	-175.9	159.4	-30.1	-138.3	7.5	0	0	0	102.3
369	D	33.3	Very low	29.6	Very low	128 Å²	128	137.3 Å²	137.3	68%	0.684	72%	0.724	S	S	*	*			trans	73.6	143.4	160.2	-52.7	-36.7	0	0	0	117.4
370	N	30.3	Very low	29.6	Very low	129 Å²	129	137.4 Å²	137.4	69%	0.69	73%	0.725	S	S	*	*			cis	-179.7	172.5	-26.3	-125.6	-31.5	0	0	0	103.6
371	D	32.9	Very low	29.9	Very low	134 Å²	134	137.6 Å²	137.6	72%	0.717	73%	0.726	S	S	*	*			trans	80.1	137.6	160.9	-59	-32.6	0	0	0	118.6
372	N	31.5	Very low	29.8	Very low	125 Å²	125	138.4 Å²	138.4	67%	0.668	73%	0.73	S	S	*	*			cis	-179	161.8	-20.6	-122.5	-38.1	0	0	0	106.5
373	N	31.5	Very low	30.2	Very low	138 Å²	138	138.9 Å²	138.9	74%	0.738	73%	0.731	S	S	*	*			trans	79.4	133.5	163.1	-51.3	-33.5	0	0	0	116.3
374	N	31.6	Very low	30.1	Very low	136 Å²	136	140 Å²	140	73%	0.727	73%	0.732	S	S	*	*			cis	-169.9	150.8	32.3	-139.4	-10.9	0	0	0	112.5
375	T	32.9	Very low	30.1	Very low	114 Å²	114	141.9 Å²	141.9	70%	0.699	74%	0.741	S	S	*	*			trans	67.5	105	155.4	63.4	0	0	0	0	119.6
376	N	26.6	Very low	29.7	Very low	148 Å²	148	143.9 Å²	143.9	79%	0.791	75%	0.751	S	S	*	*				72.3	112	67	-75.7	-16.7	0	0	0	116.8
377	N	30.9	Very low	29.5	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	76%	0.761	S	S	*	*			trans	156.8	100.8	137.4	-78	-20.8	0	0	0	108.8
378	I	26.9	Very low	29.1	Very low	138 Å²	138	150.7 Å²	150.7	71%	0.708	76%	0.762	S	S	*	*				52.9	111.1	89	-50.8	169.2	0	0	0	108.6
379	W	26.3	Very low	28.9	Very low	243 Å²	243	155 Å²	155	92%	0.92	78%	0.775	S	S	*	*				-157.2	141.4	89.3	-91.8	50.9	0	0	0	111.5
380	T	26.7	Very low	28.4	Very low	116 Å²	116	154.6 Å²	154.6	71%	0.712	78%	0.782	S	S	*	*			trans	-77.5	150.3	173.8	42.5	0	0	0	0	112.8
381	D	29.7	Very low	28.3	Very low	143 Å²	143	153.4 Å²	153.4	77%	0.765	78%	0.784	S	S	*	*			trans	157.6	98.4	139.2	-83.1	-12.5	0	0	0	109
382	Q	26.5	Very low	27.8	Very low	184 Å²	184	153.1 Å²	153.1	86%	0.86	79%	0.787	S	S	*	*				87.5	140.7	91	-94.1	-155.4	-5.9	0	0	115.1
383	P	33.5	Very low	27.6	Very low	106 Å²	106	154.1 Å²	154.1	69%	0.688	79%	0.791	S	S	*	*			trans	-100.9	169	-156.7	39.5	-31.4	0	0	0	112.7
384	Q	27.7	Very low	27.1	Very low	172 Å²	172	153 Å²	153	80%	0.804	79%	0.794	S	S	*	*			trans	150.5	108.9	149	-75.4	-98.7	-7.1	0	0	108.9
385	I	26.4	Very low	26.8	Very low	170 Å²	170	154 Å²	154	87%	0.872	80%	0.799	S	S	*	*			trans	-175	72.1	138.7	-83	145.9	0	0	0	105.3
386	N	24	Very low	26.3	Very low	156 Å²	156	156.6 Å²	156.6	83%	0.834	80%	0.803	S	S	*	*			trans	-110.7	106.1	152.8	-104	-19.1	0	0	0	104.6
387	K	27	Very low	26.3	Very low	199 Å²	199	154 Å²	154	87%	0.865	80%	0.796	S	S	*	*			trans	161	109.1	158	-93.8	162.8	-174.9	-178.7	0	108.8
388	R	25.6	Very low	25.9	Very low	214 Å²	214	152.3 Å²	152.3	81%	0.808	80%	0.795	S	S	*	*			trans	153.9	77.3	141.4	-86.4	175.3	-177.6	-172.2	2.5	110.3
389	F	24.7	Very low	25.8	Very low	220 Å²	220	155.3 Å²	155.3	97%	0.965	80%	0.803	S	S	*	*			trans	-151.4	75.3	146.8	-85.1	-68.8	0	0	0	107.4
390	S	23.3	Very low	25.6	Very low	119 Å²	119	154.1 Å²	154.1	83%	0.832	80%	0.799	S	S	*	*			trans	-165.6	104.5	162.9	-136.9	0	0	0	0	108.7
391	S	27.6	Very low	25.5	Very low	104 Å²	104	154.6 Å²	154.6	73%	0.727	80%	0.796	S	S	*	*			trans	173.9	97.7	156	57.6	0	0	0	0	106.1
392	T	23.8	Very low	25.3	Very low	128 Å²	128	153.5 Å²	153.5	79%	0.785	79%	0.79	S	S	*	*				54.1	113.7	93.1	-35.7	0	0	0	0	112.1
393	I	26.1	Very low	25.4	Very low	146 Å²	146	152.1 Å²	152.1	75%	0.749	79%	0.789	S	S	*	*				176.6	112.1	128.6	-85.3	152.4	0	0	0	107.3	L395	I393-L395 HydrophobicContact CG2-CD1 4.42Å; I393-L395 HydrophobicContact CG2-CG 4.14Å
394	S	21.6	Very low	25	Very low	115 Å²	115	152.6 Å²	152.6	80%	0.804	79%	0.794	S	S	*	*			trans	-62	126.8	154.8	164.2	0	0	0	0	108.4
395	L	25.1	Very low	25.3	Very low	156 Å²	156	149.7 Å²	149.7	82%	0.817	79%	0.789	S	S	*	*			trans	-148.9	106.6	151.6	-88.6	-179.6	0	0	0	110	I393	I393-L395 HydrophobicContact CG2-CD1 4.42Å; I393-L395 HydrophobicContact CG2-CG 4.14Å
396	H	23.3	Very low	25.4	Very low	169 Å²	169	149 Å²	149	78%	0.782	78%	0.783	S	S	*	*			trans	-15.6	157.5	145.2	-131.8	-114	0	0	0	118
397	S	25.3	Very low	25.5	Very low	94 Å²	94	150.7 Å²	150.7	66%	0.657	78%	0.779	S	S	*	*			trans	89	105.4	149.9	69	0	0	0	0	119.8
398	S	22.3	Very low	25.4	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	77%	0.772	S	S	*	*				41.6	126.7	113.6	-46.5	0	0	0	0	119.4
399	F	25.1	Very low	25.2	Very low	201 Å²	201	141.4 Å²	141.4	88%	0.882	77%	0.769	S	S	*	*			trans	170.1	99.6	130.8	-99.3	-75.7	0	0	0	107.6
400	R	22.6	Very low	25.3	Very low	218 Å²	218	135.7 Å²	135.7	82%	0.823	76%	0.757	S	S	*	*				50.7	109.8	91.7	-88.3	-170.4	-175.3	-176.4	5.2	116.2
401	L	25.3	Very low	25.4	Very low	126 Å²	126	136.7 Å²	136.7	66%	0.66	76%	0.758	S	S	*	*				85.7	130.6	126.2	-74.1	164.2	0	0	0	120.6
402	N	25	Very low	25.3	Very low	120 Å²	120	137.8 Å²	137.8	64%	0.642	75%	0.754	S	S	*	*			trans	78.6	107.7	135.3	-66.2	-8.5	0	0	0	118.6
403	N	29.2	Very low	25.2	Very low	155 Å²	155	136.9 Å²	136.9	83%	0.829	75%	0.753	S	S	*	*				177.5	141.6	83.7	-95.6	-27	0	0	0	111.6
404	C	24.9	Very low	25.2	Very low	117 Å²	117	136.6 Å²	136.6	79%	0.791	75%	0.751	S	S	*	*			trans	-63.4	-163.9	175.7	-58.6	0	0	0	0	113.6
405	P	32.8	Very low	25.5	Very low	110 Å²	110	136.5 Å²	136.5	71%	0.714	75%	0.748	S	S	*	*				-123.4	-179.5	-66.4	32.3	-15.1	0	0	0	109.4
406	E	28.1	Very low	25.6	Very low	157 Å²	157	135.4 Å²	135.4	73%	0.734	75%	0.752	S	S	*	*			trans	162.8	132.9	133.1	-92.7	-177.1	-173	0	0	114.8
407	Y	26.4	Very low	25.8	Very low	190 Å²	190	136.6 Å²	136.6	75%	0.745	76%	0.755	S	S	*	*			trans	67.1	121.8	145.9	-68.5	-68.4	0	0	0	124.3
408	C	25.1	Very low	25.8	Very low	106 Å²	106	141 Å²	141	72%	0.716	77%	0.765	S	S	*	*			trans	74.4	115.4	130.2	-82.2	0	0	0	0	122.1
409	C	22.6	Very low	26.1	Very low	113 Å²	113	141.7 Å²	141.7	76%	0.764	77%	0.767	S	S	*	*				37.7	120.9	123.9	-63.8	0	0	0	0	118.4
410	S	26.3	Very low	26.1	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	76%	0.761	S	S	*	*				162.4	143.7	103.7	49.3	0	0	0	0	111.3	I412	S410-I412 PolarHBondContact O-N 3.01Å
411	V	24.6	Very low	26.6	Very low	140 Å²	140	132.3 Å²	132.3	85%	0.848	76%	0.76	S	S	*	*			trans	-51.5	115.4	167.7	175.6	0	0	0	0	109
412	I	25.3	Very low	26.6	Very low	126 Å²	126	130.3 Å²	130.3	65%	0.646	77%	0.769	S	S	*	*			trans	-126.8	106.2	165.3	-55	179.7	0	0	0	108.2	S410 I414	S410-I412 PolarHBondContact O-N 3.01Å; I412-I414 HydrophobicContact CG2-CD1 4.34Å; I412-I414 HydrophobicContact CG2-CG1 3.64Å; I412-I414 PolarHBondContact O-N 2.72Å
413	S	23.1	Very low	26.7	Very low	110 Å²	110	133 Å²	133	77%	0.769	78%	0.78	S	S	*	*			trans	-66.4	111.4	159.7	-46	0	0	0	0	108
414	I	26.4	Very low	26.6	Very low	140 Å²	140	130.7 Å²	130.7	72%	0.718	78%	0.776	S	S	*	*			trans	-103.9	119.7	169.8	-55.5	179.3	0	0	0	108.1	I412 C416	I412-I414 HydrophobicContact CG2-CD1 4.34Å; I412-I414 HydrophobicContact CG2-CG1 3.64Å; I412-I414 PolarHBondContact O-N 2.72Å; I414-C416 PolarHBondContact O-N 2.96Å
415	P	26.9	Very low	27.1	Very low	112 Å²	112	129.8 Å²	129.8	73%	0.727	77%	0.772	S	S	*	*			trans	-73.9	120.9	177.3	29.3	-30.1	0	0	0	109.5	K417	P415-K417 PolarHBondContact O-N 2.95Å
416	C	27.8	Very low	27.4	Very low	134 Å²	134	135.5 Å²	135.5	91%	0.905	78%	0.779	S	S	*	*			trans	-65.9	104.6	167.9	-94.8	0	0	0	0	109.2	I414 Q418	I414-C416 PolarHBondContact O-N 2.96Å; C416-Q418 PolarHBondContact O-N 3.34Å
417	K	26.2	Very low	28.6	Very low	194 Å²	194	131.3 Å²	131.3	84%	0.843	76%	0.761	S	S	*	*			trans	-52.1	135.2	162.8	-80.9	179.5	173.7	178	0	109.4	P415	P415-K417 PolarHBondContact O-N 2.95Å
418	Q	25.9	Very low	30.4	Very low	185 Å²	185	125.1 Å²	125.1	86%	0.864	75%	0.746	S	S	*	*			trans	-56.3	132.1	172.7	-69.1	-166.8	-22.7	0	0	110.4	C416 S420	C416-Q418 PolarHBondContact O-N 3.34Å; Q418-S420 PolarHBondContact O-N 3.47Å; Q418-S420 VanDerWaalsContact O-N 3.12Å
419	P	29	Very low	32.2	Very low	122 Å²	122	121.8 Å²	121.8	79%	0.792	72%	0.723	S	S	*	*			trans	-75.6	101.1	169.2	29.1	-27.5	0	0	0	108.1
420	S	25.6	Very low	34.3	Very low	108 Å²	108	118 Å²	118	76%	0.755	70%	0.697	S	S	*	*			trans	-62.4	133.4	155.8	47.1	0	0	0	0	108.1	Q418	Q418-S420 PolarHBondContact O-N 3.47Å; Q418-S420 VanDerWaalsContact O-N 3.12Å
421	S	32.1	Very low	36.4	Very low	113 Å²	113	114.1 Å²	114.1	79%	0.79	67%	0.669	S	S	*	*	S	Bend	trans	78	93	-179.2	74.3	0	0	0	0	118	M423	S421-M423 PolarHBondContact O-N 3.43Å
422	G	26	Very low	38.6	Very low	84 Å²	84	109.4 Å²	109.4	87%	0.866	64%	0.639	S	S	*	*	S	Bend		77.6	-1.2	113.7	0	0	0	0	0	121.7
423	M	27.4	Very low	40.8	Very low	176 Å²	176	103.6 Å²	103.6	87%	0.867	61%	0.609	S	S	*	*			trans	-129	101.3	173.4	-64	-159.5	82.1	0	0	112.6	S421 S425	S421-M423 PolarHBondContact O-N 3.43Å; M423-S425 VanDerWaalsContact C-N 3.34Å; M423-S425 PolarHBondContact O-N 3.43Å
424	S	26.6	Very low	43.1	Very low	107 Å²	107	98.4 Å²	98.4	75%	0.748	57%	0.572	S	S	*	*			trans	-67	84.9	170.3	169.1	0	0	0	0	110.6	R426	S424-R426 VanDerWaalsContact C-N 3.34Å; S424-R426 PolarHBondContact O-N 3.45Å
425	S	35.1	Very low	45.3	Very low	99 Å²	99	96.3 Å²	96.3	69%	0.692	56%	0.556	S	S	*	*			trans	-77.2	86.3	167.5	65.9	0	0	0	0	109.5	M423 L427	M423-S425 VanDerWaalsContact C-N 3.34Å; M423-S425 PolarHBondContact O-N 3.43Å; S425-L427 PolarHBondContact O-N 3.35Å
426	R	39.8	Very low	47.5	Very low	229 Å²	229	92.4 Å²	92.4	86%	0.864	53%	0.528	S	S	*	.			trans	-59.2	107.9	163.9	-74.1	-179.4	178.2	167.6	-0.5	107.3	S424 S428	S424-R426 VanDerWaalsContact C-N 3.34Å; S424-R426 PolarHBondContact O-N 3.45Å; R426-S428 PolarHBondContact O-N 3.06Å
427	L	52.2	Low	49.7	Very low	70 Å²	70	86.2 Å²	86.2	37%	0.366	49%	0.487	S	S	.	.			trans	-58.6	135.5	163	-95.7	78.8	0	0	0	107.2	S425 T431	S425-L427 PolarHBondContact O-N 3.35Å; L427-T431 HydrophobicContact CD2-CG2 3.97Å; L427-T431 HydrophobicContact CG-CG2 4.45Å
428	S	64.4	Low	51.9	Low	60 Å²	60	78.3 Å²	78.3	42%	0.42	46%	0.457	S	S	.	.			trans	-60.9	141.7	169.1	73	0	0	0	0	108.9	R426 T430 T431 L432	R426-S428 PolarHBondContact O-N 3.06Å; S428-T430 PolarHBondContact O-N 3.34Å; S428-T430 VanDerWaalsContact O-N 3.17Å; S428-T430 WeakPolarHBondContact OG-CB 3.28Å; S428-T431 WeakPolarHBondContact O-CA 3.49Å; S428-T431 WeakPolarHBondContact O-CB 3.4Å; S428-T431 PolarHBondContact O-N 3.29Å; S428-T431 PolarHBondContact OG-N 3.12Å; S428-T431 VanDerWaalsContact OG-N 3.14Å; S428-T431 PolarHBondContact OG-OG1 2.82Å; S428-L432 PolarHBondContact O-N 2.98Å; S428-L432 VanDerWaalsContact O-N 3.14Å
429	C	63.2	Low	54.1	Low	35 Å²	35	75.8 Å²	75.8	24%	0.236	45%	0.45	C	S	.	.	H	α-helix	trans	-47.7	-42.9	174.2	-56.5	0	0	0	0	110.2	E234 E237 T431 L432 I433	E234-C429 HydrophobicContact CG-CB 4Å; E237-C429 WeakPolarHBondContact OE2-CB 3.31Å; C429-T431 VanDerWaalsContact C-N 3.33Å; C429-T431 PolarHBondContact O-N 3.05Å; C429-L432 WeakPolarHBondContact O-CB 3.49Å; C429-L432 PolarHBondContact O-N 3.29Å; C429-I433 WeakPolarHBondContact O-CG1 3.38Å; C429-I433 PolarHBondContact O-N 2.89Å
430	T	67.2	Low	56.2	Low	35 Å²	35	71.1 Å²	71.1	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-50.3	-44.9	172.5	-35.5	0	0	0	0	113.4	W280 S428 A434	W280-T430 HydrophobicContact CD2-CG2 4.04Å; W280-T430 HydrophobicContact CE3-CG2 3.33Å; W280-T430 HydrophobicContact CH2-CG2 3.69Å; W280-T430 HydrophobicContact CZ2-CG2 4.4Å; W280-T430 HydrophobicContact CZ3-CG2 3.09Å; S428-T430 PolarHBondContact O-N 3.34Å; S428-T430 VanDerWaalsContact O-N 3.17Å; S428-T430 WeakPolarHBondContact OG-CB 3.28Å; T430-A434 VanDerWaalsContact O-CB 3.26Å; T430-A434 WeakPolarHBondContact O-CB 3.3Å; T430-A434 PolarHBondContact O-N 3.37Å
431	T	69.3	Low	58.5	Low	18 Å²	18	67.2 Å²	67.2	11%	0.11	39%	0.392	C	S	.	.	H	α-helix	trans	-71.8	-36	177.1	-52.8	0	0	0	0	112	L281 A284 L427 S428 C429 R435	L281-T431 HydrophobicContact CD2-CG2 4.4Å; A284-T431 HydrophobicContact CB-CG2 4.22Å; L427-T431 HydrophobicContact CD2-CG2 3.97Å; L427-T431 HydrophobicContact CG-CG2 4.45Å; S428-T431 WeakPolarHBondContact O-CA 3.49Å; S428-T431 WeakPolarHBondContact O-CB 3.4Å; S428-T431 PolarHBondContact O-N 3.29Å; S428-T431 PolarHBondContact OG-N 3.12Å; S428-T431 VanDerWaalsContact OG-N 3.14Å; S428-T431 PolarHBondContact OG-OG1 2.82Å; C429-T431 VanDerWaalsContact C-N 3.33Å; C429-T431 PolarHBondContact O-N 3.05Å; T431-R435 WeakPolarHBondContact O-CG 3.19Å; T431-R435 PolarHBondContact O-N 3.33Å; T431-R435 VanDerWaalsContact O-N 3.1Å
432	L	71.6	Confident	60.6	Low	41 Å²	41	62.5 Å²	62.5	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-49.4	176.2	-173.7	72.3	0	0	0	110.4	E237 S428 C429 A434 R435 L436	E237-L432 VanDerWaalsContact OE1-CD2 3.31Å; E237-L432 WeakPolarHBondContact OE1-CD2 3.32Å; S428-L432 PolarHBondContact O-N 2.98Å; S428-L432 VanDerWaalsContact O-N 3.14Å; C429-L432 WeakPolarHBondContact O-CB 3.49Å; C429-L432 PolarHBondContact O-N 3.29Å; L432-A434 VanDerWaalsContact C-N 3.32Å; L432-A434 PolarHBondContact O-N 3.5Å; L432-R435 WeakPolarHBondContact O-CB 3.34Å; L432-R435 PolarHBondContact O-N 3.29Å; L432-R435 VanDerWaalsContact O-N 3.12Å; L432-L436 HydrophobicContact CG-CD1 4.43Å; L432-L436 WeakPolarHBondContact O-CG 3.48Å; L432-L436 PolarHBondContact O-N 2.93Å
433	I	71.1	Confident	62.7	Low	3 Å²	3	64.7 Å²	64.7	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-45.1	177.2	-65.2	165.1	0	0	0	110.5	I230 L233 E234 C429 R435 L436 V437	I230-I433 HydrophobicContact CG2-CD1 4.4Å; I230-I433 HydrophobicContact CG2-CG2 4.05Å; L233-I433 HydrophobicContact CB-CD1 3.98Å; L233-I433 HydrophobicContact CB-CG2 4.43Å; L233-I433 HydrophobicContact CD1-CG2 3.94Å; E234-I433 HydrophobicContact CB-CD1 3.99Å; C429-I433 WeakPolarHBondContact O-CG1 3.38Å; C429-I433 PolarHBondContact O-N 2.89Å; I433-R435 VanDerWaalsContact C-N 3.3Å; I433-R435 PolarHBondContact O-N 3.42Å; I433-L436 PolarHBondContact O-N 3.37Å; I433-L436 VanDerWaalsContact O-N 3.16Å; I433-V437 HydrophobicContact CG2-CG2 4.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.5Å; I433-V437 PolarHBondContact O-N 2.82Å
434	A	71.4	Confident	64.9	Low	1 Å²	1	62.3 Å²	62.3	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-60.7	-37.7	177.5	0	0	0	0	0	112.6	A277 W280 L281 T430 L432 A438	A277-A434 HydrophobicContact CB-CB 4.27Å; W280-A434 HydrophobicContact CB-CB 4.04Å; W280-A434 HydrophobicContact CE3-CB 4.36Å; L281-A434 HydrophobicContact CD2-CB 4.02Å; L281-A434 HydrophobicContact CG-CB 3.87Å; T430-A434 VanDerWaalsContact O-CB 3.26Å; T430-A434 WeakPolarHBondContact O-CB 3.3Å; T430-A434 PolarHBondContact O-N 3.37Å; L432-A434 VanDerWaalsContact C-N 3.32Å; L432-A434 PolarHBondContact O-N 3.5Å; A434-A438 WeakPolarHBondContact O-CB 3.47Å; A434-A438 PolarHBondContact O-N 2.9Å
435	R	73.5	Confident	67.2	Low	97 Å²	97	58.2 Å²	58.2	37%	0.366	30%	0.304	S	S	.	.	H	α-helix	trans	-64.5	-47.3	172.8	-72.4	-179.2	-179.2	-176.8	-7.2	111.6	L281 T431 L432 I433 V437 A438 D439	L281-R435 HydrophobicContact CD2-CB 4.41Å; L281-R435 HydrophobicContact CD2-CG 3.43Å; L281-R435 VanDerWaalsContact CD2-CG 3.43Å; T431-R435 WeakPolarHBondContact O-CG 3.19Å; T431-R435 PolarHBondContact O-N 3.33Å; T431-R435 VanDerWaalsContact O-N 3.1Å; L432-R435 WeakPolarHBondContact O-CB 3.34Å; L432-R435 PolarHBondContact O-N 3.29Å; L432-R435 VanDerWaalsContact O-N 3.12Å; I433-R435 VanDerWaalsContact C-N 3.3Å; I433-R435 PolarHBondContact O-N 3.42Å; R435-V437 VanDerWaalsContact C-N 3.29Å; R435-V437 PolarHBondContact O-N 3.22Å; R435-A438 PolarHBondContact O-N 3.36Å; R435-A438 VanDerWaalsContact O-N 3.1Å; R435-D439 WeakPolarHBondContact O-CB 3.33Å; R435-D439 PolarHBondContact O-N 3.29Å
436	L	73.1	Confident	69.2	Low	29 Å²	29	61.4 Å²	61.4	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-40.2	180	-67.2	173.3	0	0	0	112.3	L432 I433 S440 L521	L432-L436 HydrophobicContact CG-CD1 4.43Å; L432-L436 WeakPolarHBondContact O-CG 3.48Å; L432-L436 PolarHBondContact O-N 2.93Å; I433-L436 PolarHBondContact O-N 3.37Å; I433-L436 VanDerWaalsContact O-N 3.16Å; L436-S440 PolarHBondContact O-N 2.62Å; L436-L521 HydrophobicContact CD2-CB 4.48Å
437	V	74.1	Confident	70.8	Confident	5 Å²	5	51 Å²	51	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-40.4	175.6	173.5	0	0	0	0	111.3	I273 A277 I433 R435 S440 L518	I273-V437 HydrophobicContact CG2-CG1 4.06Å; A277-V437 HydrophobicContact CB-CB 3.66Å; A277-V437 HydrophobicContact CB-CG1 3.47Å; A277-V437 VanDerWaalsContact CB-CG1 3.47Å; I433-V437 HydrophobicContact CG2-CG2 4.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.5Å; I433-V437 PolarHBondContact O-N 2.82Å; R435-V437 VanDerWaalsContact C-N 3.29Å; R435-V437 PolarHBondContact O-N 3.22Å; V437-S440 CarbonylContact O-C 3.58Å; V437-L518 HydrophobicContact CG2-CD1 4.45Å; V437-L518 HydrophobicContact CG2-CD2 3.94Å
438	A	71.9	Confident	72	Confident	28 Å²	28	51.2 Å²	51.2	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-35.3	178.3	0	0	0	0	0	112.8	L281 A434 R435 S440	L281-A438 HydrophobicContact CD1-CB 3.62Å; A434-A438 WeakPolarHBondContact O-CB 3.47Å; A434-A438 PolarHBondContact O-N 2.9Å; R435-A438 PolarHBondContact O-N 3.36Å; R435-A438 VanDerWaalsContact O-N 3.1Å; A438-S440 VanDerWaalsContact C-N 3.31Å; A438-S440 PolarHBondContact O-N 2.89Å
439	D	72.7	Confident	72.3	Confident	131 Å²	131	52.5 Å²	52.5	70%	0.701	29%	0.287	S	S	*	.	H	α-helix	trans	-72.2	-24.5	-179.7	-68.3	-21.5	0	0	0	112.4	R435	R435-D439 WeakPolarHBondContact O-CB 3.33Å; R435-D439 PolarHBondContact O-N 3.29Å
440	S	72.7	Confident	72.8	Confident	24 Å²	24	56.1 Å²	56.1	17%	0.168	30%	0.3	C	S	.	.	S	Bend	trans	-124.3	78.1	178.9	174.4	0	0	0	0	111.4	L436 V437 A438 Y514	L436-S440 PolarHBondContact O-N 2.62Å; V437-S440 CarbonylContact O-C 3.58Å; A438-S440 VanDerWaalsContact C-N 3.31Å; A438-S440 PolarHBondContact O-N 2.89Å; S440-Y514 VanDerWaalsContact O-CE2 3.31Å; S440-Y514 WeakPolarHBondContact O-CE2 3.05Å; S440-Y514 PolarHBondContact O-OH 2.86Å
441	P	73.8	Confident	73	Confident	26 Å²	26	56.3 Å²	56.3	17%	0.169	30%	0.298	C	S	.	.			trans	-66.7	137.4	-177.1	26.5	-34.6	0	0	0	112.6	Q274 Q443 N444 F445	Q274-P441 VanDerWaalsContact OE1-CB 3.3Å; P441-Q443 PolarHBondContact O-N 3.48Å; P441-N444 HydrophobicContact CG-CB 4.25Å; P441-N444 PolarHBondContact O-N 3.15Å; P441-N444 VanDerWaalsContact O-N 3.1Å; P441-F445 PolarHBondContact O-N 2.88Å
442	Y	75.2	Confident	73.1	Confident	15 Å²	15	61.3 Å²	61.3	6%	0.059	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-55.4	-36.3	-179.6	177.9	-111.3	0	0	0	113	I270 D271 N444 F445 R510 T511 Y514	I270-Y442 HydrophobicContact CG2-CD2 4.37Å; I270-Y442 HydrophobicContact CG2-CG 4.24Å; D271-Y442 WeakPolarHBondContact OD1-CD1 3.16Å; Y442-N444 PolarHBondContact O-N 3.34Å; Y442-F445 PolarHBondContact O-N 3.38Å; Y442-F445 VanDerWaalsContact O-N 3.11Å; Y442-R510 HydrophobicContact CE2-CG 4.01Å; Y442-R510 PolarHBondContact O-NH2 3.44Å; Y442-T511 PolarHBondContact OH-OG1 3.49Å; Y442-Y514 AromaticContact CD2-CD1 3.6Å; Y442-Y514 HydrophobicContact CD2-CD1 3.6Å; Y442-Y514 HydrophobicContact CD2-CD2 4.04Å; Y442-Y514 HydrophobicContact CD2-CE1 4.1Å; Y442-Y514 HydrophobicContact CD2-CE2 4.49Å; Y442-Y514 AromaticContact CD2-CG 3.55Å; Y442-Y514 HydrophobicContact CD2-CG 3.55Å; Y442-Y514 HydrophobicContact CE2-CD1 4.36Å; Y442-Y514 HydrophobicContact CE2-CG 4.21Å; Y442-Y514 HydrophobicContact CG-CD1 4.4Å; Y442-Y514 HydrophobicContact CG-CE1 4.49Å
443	Q	70.9	Confident	72.9	Confident	130 Å²	130	61.7 Å²	61.7	61%	0.607	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33.7	-179.8	-63.9	-178	2.3	0	0	112.8	P441 R510	P441-Q443 PolarHBondContact O-N 3.48Å; Q443-R510 PolarHBondContact O-NH2 2.84Å
444	N	73.8	Confident	72.7	Confident	126 Å²	126	64.8 Å²	64.8	67%	0.674	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-92.2	-15.8	-178.9	-66.5	-19.8	0	0	0	113.1	P441 Y442 K446	P441-N444 HydrophobicContact CG-CB 4.25Å; P441-N444 PolarHBondContact O-N 3.15Å; P441-N444 VanDerWaalsContact O-N 3.1Å; Y442-N444 PolarHBondContact O-N 3.34Å; N444-K446 PolarHBondContact O-N 3.2Å
445	F	75.4	Confident	72.6	Confident	21 Å²	21	64.8 Å²	64.8	9%	0.092	34%	0.338	C	S	.	.			trans	-71.8	117.1	-176.6	-178.7	-97.8	0	0	0	111.6	P441 Y442 P447 R510 C513 Y514 H517	P441-F445 PolarHBondContact O-N 2.88Å; Y442-F445 PolarHBondContact O-N 3.38Å; Y442-F445 VanDerWaalsContact O-N 3.11Å; F445-P447 HydrophobicContact CE1-CB 4.22Å; F445-R510 HydrophobicContact CD1-CG 4.37Å; F445-R510 PolarHBondContact O-NE 3.1Å; F445-R510 PolarHBondContact O-NH2 3.17Å; F445-C513 HydrophobicContact CE1-CB 3.77Å; F445-C513 HydrophobicContact CZ-CB 4.03Å; F445-Y514 HydrophobicContact CB-CD2 3.81Å; F445-Y514 HydrophobicContact CB-CE2 4.34Å; F445-Y514 HydrophobicContact CD1-CD2 4.02Å; F445-Y514 HydrophobicContact CD1-CG 4.36Å; F445-Y514 HydrophobicContact CD2-CD2 4.02Å; F445-Y514 AromaticContact CG-CD2 3.68Å; F445-Y514 HydrophobicContact CG-CD2 3.68Å; F445-Y514 HydrophobicContact CG-CG 4.45Å; F445-H517 HydrophobicContact CE2-CB 3.77Å; F445-H517 AromaticContact CE2-CD2 3.83Å; F445-H517 AromaticContact CE2-CG 3.73Å; F445-H517 HydrophobicContact CZ-CB 4.08Å
446	K	75.3	Confident	72.1	Confident	165 Å²	165	64.3 Å²	64.3	72%	0.717	34%	0.343	S	S	*	.			trans	-118.5	120.4	171.1	-71.3	-178	-179.3	176.9	0	109.2	N444 T448	N444-K446 PolarHBondContact O-N 3.2Å; K446-T448 PolarHBondContact O-N 3.44Å
447	P	73.4	Confident	71.6	Confident	11 Å²	11	65.1 Å²	65.1	7%	0.071	35%	0.349	C	S	.	.			trans	-67.5	135.4	-178.7	25.8	-33.3	0	0	0	110.7	F445 Q451 R452 C513	F445-P447 HydrophobicContact CE1-CB 4.22Å; P447-Q451 HydrophobicContact CB-CB 4.38Å; P447-R452 HydrophobicContact CB-CG 4.09Å; P447-R452 HydrophobicContact CG-CG 4.16Å; P447-R452 PolarHBondContact O-NE 3.29Å; P447-R452 VanDerWaalsContact O-NE 3.09Å; P447-R452 PolarHBondContact O-NH2 2.94Å; P447-C513 HydrophobicContact CB-CB 3.86Å
448	T	78.1	Confident	70.9	Confident	75 Å²	75	65.9 Å²	65.9	46%	0.46	35%	0.354	S	S	.	.			trans	-66.2	158.9	176.2	65.2	0	0	0	0	110.9	K446 Q450 Q451 R452	K446-T448 PolarHBondContact O-N 3.44Å; T448-Q450 PolarHBondContact O-N 3.21Å; T448-Q451 PolarHBondContact O-N 2.88Å; T448-Q451 VanDerWaalsContact O-N 3.13Å; T448-Q451 VanDerWaalsContact OG1-CG 3.29Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.45Å; T448-Q451 PolarHBondContact OG1-N 3.14Å; T448-Q451 PolarHBondContact OG1-OE1 3.38Å; T448-R452 WeakPolarHBondContact O-CG 3.44Å; T448-R452 PolarHBondContact O-N 3.28Å
449	A	72	Confident	70.2	Confident	87 Å²	87	65 Å²	65	72%	0.719	35%	0.346	S	S	*	.	H	α-helix	trans	-56.6	-37.6	177.5	0	0	0	0	0	112	R452 A453	A449-R452 PolarHBondContact O-N 3.22Å; A449-A453 WeakPolarHBondContact O-CB 3.42Å; A449-A453 PolarHBondContact O-N 3.44Å
450	Q	73	Confident	68.8	Low	110 Å²	110	62.7 Å²	62.7	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-46.3	174.7	-177.9	178	-7.4	0	0	112.3	T448 R452 A453 E454	T448-Q450 PolarHBondContact O-N 3.21Å; Q450-R452 VanDerWaalsContact C-N 3.28Å; Q450-R452 PolarHBondContact O-N 3.41Å; Q450-A453 PolarHBondContact O-N 3.08Å; Q450-A453 VanDerWaalsContact O-N 3.16Å; Q450-E454 HydrophobicContact CG-CG 4.5Å; Q450-E454 PolarHBondContact NE2-OE1 3.27Å; Q450-E454 WeakPolarHBondContact O-CG 3.47Å; Q450-E454 PolarHBondContact O-N 3.2Å
451	Q	71	Confident	67.1	Low	39 Å²	39	65.6 Å²	65.6	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-36.4	178.4	-74.8	171.2	-25.7	0	0	112.3	P447 T448 F455	P447-Q451 HydrophobicContact CB-CB 4.38Å; T448-Q451 PolarHBondContact O-N 2.88Å; T448-Q451 VanDerWaalsContact O-N 3.13Å; T448-Q451 VanDerWaalsContact OG1-CG 3.29Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.45Å; T448-Q451 PolarHBondContact OG1-N 3.14Å; T448-Q451 PolarHBondContact OG1-OE1 3.38Å; Q451-F455 WeakPolarHBondContact O-CB 3.32Å; Q451-F455 PolarHBondContact O-N 2.93Å
452	R	71.1	Confident	65.2	Low	124 Å²	124	66.8 Å²	66.8	47%	0.468	36%	0.358	S	S	.	.	H	α-helix	trans	-68.1	-43	174.1	-63.6	178.3	-162.2	-165	-1.3	111.4	P447 T448 A449 Q450 F455 L456 V509	P447-R452 HydrophobicContact CB-CG 4.09Å; P447-R452 HydrophobicContact CG-CG 4.16Å; P447-R452 PolarHBondContact O-NE 3.29Å; P447-R452 VanDerWaalsContact O-NE 3.09Å; P447-R452 PolarHBondContact O-NH2 2.94Å; T448-R452 WeakPolarHBondContact O-CG 3.44Å; T448-R452 PolarHBondContact O-N 3.28Å; A449-R452 PolarHBondContact O-N 3.22Å; Q450-R452 VanDerWaalsContact C-N 3.28Å; Q450-R452 PolarHBondContact O-N 3.41Å; R452-F455 PolarHBondContact O-N 3.32Å; R452-L456 VanDerWaalsContact O-CG 3.3Å; R452-L456 WeakPolarHBondContact O-CG 3.11Å; R452-L456 PolarHBondContact O-N 3.17Å; R452-V509 HydrophobicContact CG-CG1 4.13Å
453	A	67.6	Low	63.1	Low	49 Å²	49	72.9 Å²	72.9	41%	0.405	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-48.9	176	0	0	0	0	0	110.6	A449 Q450 F455 L456 T457	A449-A453 WeakPolarHBondContact O-CB 3.42Å; A449-A453 PolarHBondContact O-N 3.44Å; Q450-A453 PolarHBondContact O-N 3.08Å; Q450-A453 VanDerWaalsContact O-N 3.16Å; A453-F455 VanDerWaalsContact C-N 3.32Å; A453-F455 PolarHBondContact O-N 3.04Å; A453-L456 PolarHBondContact O-N 3.13Å; A453-L456 VanDerWaalsContact O-N 3.17Å; A453-T457 WeakPolarHBondContact O-CB 3.35Å; A453-T457 PolarHBondContact O-N 3.13Å; A453-T457 PolarHBondContact O-OG1 3.16Å
454	E	67.8	Low	61	Low	68 Å²	68	74.7 Å²	74.7	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-55.1	-45.7	175	-74.8	174.8	-166.5	0	0	112.1	Q450 L456 T457 C458 K516	Q450-E454 HydrophobicContact CG-CG 4.5Å; Q450-E454 PolarHBondContact NE2-OE1 3.27Å; Q450-E454 WeakPolarHBondContact O-CG 3.47Å; Q450-E454 PolarHBondContact O-N 3.2Å; E454-L456 PolarHBondContact O-N 3.36Å; E454-T457 PolarHBondContact O-N 3.34Å; E454-C458 WeakPolarHBondContact O-CB 3.33Å; E454-C458 PolarHBondContact O-N 3.41Å; E454-C458 PolarHBondContact O-SG 3.12Å; E454-K516 IonicContact OE2-NZ 2.87Å; E454-K516 PolarHBondContact OE2-NZ 2.93Å
455	F	68.3	Low	58.9	Low	0 Å²	0	74 Å²	74	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-59.3	-47.3	177.1	-179.8	-102.2	0	0	0	112.2	I257 Q451 R452 A453 C458 L459 I503 V509 A512 Y539	I257-F455 HydrophobicContact CD1-CE2 4.49Å; I257-F455 HydrophobicContact CG2-CZ 4.35Å; Q451-F455 WeakPolarHBondContact O-CB 3.32Å; Q451-F455 PolarHBondContact O-N 2.93Å; R452-F455 PolarHBondContact O-N 3.32Å; A453-F455 VanDerWaalsContact C-N 3.32Å; A453-F455 PolarHBondContact O-N 3.04Å; F455-C458 PolarHBondContact O-N 3.1Å; F455-L459 HydrophobicContact CD1-CD1 4.09Å; F455-L459 HydrophobicContact CD2-CD1 4.46Å; F455-L459 HydrophobicContact CE1-CD1 3.66Å; F455-L459 HydrophobicContact CE2-CD1 4.04Å; F455-L459 HydrophobicContact CG-CD1 4.5Å; F455-L459 HydrophobicContact CZ-CD1 3.64Å; F455-L459 WeakPolarHBondContact O-CG 3.41Å; F455-L459 PolarHBondContact O-N 3.45Å; F455-I503 HydrophobicContact CD1-CD1 4.48Å; F455-I503 HydrophobicContact CE1-CD1 3.22Å; F455-I503 HydrophobicContact CE2-CD1 4.48Å; F455-I503 HydrophobicContact CZ-CD1 3.23Å; F455-V509 HydrophobicContact CD1-CB 4.3Å; F455-V509 HydrophobicContact CD1-CG1 3.82Å; F455-V509 HydrophobicContact CD1-CG2 3.98Å; F455-V509 HydrophobicContact CE1-CB 4.22Å; F455-V509 HydrophobicContact CE1-CG1 4.25Å; F455-V509 HydrophobicContact CE1-CG2 3.71Å; F455-V509 HydrophobicContact CG-CG1 4.27Å; F455-A512 HydrophobicContact CD2-CB 4.09Å; F455-A512 HydrophobicContact CE2-CB 3.43Å; F455-A512 VanDerWaalsContact CE2-CB 3.43Å; F455-A512 HydrophobicContact CZ-CB 4.01Å; F455-Y539 HydrophobicContact CB-CE2 4.28Å; F455-Y539 AromaticContact CD2-CD1 3.79Å; F455-Y539 HydrophobicContact CD2-CD1 3.79Å; F455-Y539 AromaticContact CD2-CD2 3.62Å; F455-Y539 HydrophobicContact CD2-CD2 3.62Å; F455-Y539 AromaticContact CD2-CE1 3.78Å; F455-Y539 HydrophobicContact CD2-CE1 3.78Å; F455-Y539 AromaticContact CD2-CE2 3.61Å; F455-Y539 HydrophobicContact CD2-CE2 3.61Å; F455-Y539 AromaticContact CD2-CG 3.69Å; F455-Y539 HydrophobicContact CD2-CG 3.69Å; F455-Y539 AromaticContact CD2-CZ 3.66Å; F455-Y539 AromaticContact CE2-CD1 3.71Å; F455-Y539 HydrophobicContact CE2-CD1 3.71Å; F455-Y539 HydrophobicContact CE2-CD2 4.3Å; F455-Y539 AromaticContact CE2-CE1 3.92Å; F455-Y539 HydrophobicContact CE2-CE1 3.92Å; F455-Y539 HydrophobicContact CE2-CE2 4.49Å; F455-Y539 AromaticContact CE2-CG 3.89Å; F455-Y539 HydrophobicContact CE2-CG 3.89Å; F455-Y539 HydrophobicContact CG-CE2 4.44Å
456	L	64.1	Low	56.9	Low	87 Å²	87	76.7 Å²	76.7	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-68.2	-39.2	178.9	-68	170.7	0	0	0	112	R452 A453 E454 L459 L460	R452-L456 VanDerWaalsContact O-CG 3.3Å; R452-L456 WeakPolarHBondContact O-CG 3.11Å; R452-L456 PolarHBondContact O-N 3.17Å; A453-L456 PolarHBondContact O-N 3.13Å; A453-L456 VanDerWaalsContact O-N 3.17Å; E454-L456 PolarHBondContact O-N 3.36Å; L456-L459 PolarHBondContact O-N 3.38Å; L456-L460 WeakPolarHBondContact O-CB 3.25Å; L456-L460 WeakPolarHBondContact O-CG 3.4Å; L456-L460 PolarHBondContact O-N 3.21Å
457	T	61.2	Low	54.6	Low	46 Å²	46	78.7 Å²	78.7	28%	0.282	43%	0.432	S	S	.	.	H	α-helix	trans	-68.8	-32.6	177.8	-59.1	0	0	0	0	112.3	A453 E454 L459 T462 V466	A453-T457 WeakPolarHBondContact O-CB 3.35Å; A453-T457 PolarHBondContact O-N 3.13Å; A453-T457 PolarHBondContact O-OG1 3.16Å; E454-T457 PolarHBondContact O-N 3.34Å; T457-L459 VanDerWaalsContact C-N 3.29Å; T457-L459 PolarHBondContact O-N 3.43Å; T457-T462 HydrophobicContact CG2-CG2 3.94Å; T457-V466 HydrophobicContact CG2-CG2 3.91Å
458	C	59.5	Low	52.7	Low	22 Å²	22	84.3 Å²	84.3	15%	0.149	45%	0.453	C	S	.	.	H	α-helix	trans	-68.2	-29.8	174.3	-74.1	0	0	0	0	112.9	E454 F455 Y539	E454-C458 WeakPolarHBondContact O-CB 3.33Å; E454-C458 PolarHBondContact O-N 3.41Å; E454-C458 PolarHBondContact O-SG 3.12Å; F455-C458 PolarHBondContact O-N 3.1Å; C458-Y539 HydrophobicContact CB-CD2 4.1Å
459	L	57.1	Low	50.3	Low	10 Å²	10	87.8 Å²	87.8	5%	0.052	46%	0.463	C	S	.	.	H	α-helix	trans	-92.9	-25.7	-175.6	-69.7	169.6	0	0	0	113.6	I257 F455 L456 T457 F501 I503 T547	I257-L459 HydrophobicContact CD1-CD2 4.14Å; F455-L459 HydrophobicContact CD1-CD1 4.09Å; F455-L459 HydrophobicContact CD2-CD1 4.46Å; F455-L459 HydrophobicContact CE1-CD1 3.66Å; F455-L459 HydrophobicContact CE2-CD1 4.04Å; F455-L459 HydrophobicContact CG-CD1 4.5Å; F455-L459 HydrophobicContact CZ-CD1 3.64Å; F455-L459 WeakPolarHBondContact O-CG 3.41Å; F455-L459 PolarHBondContact O-N 3.45Å; L456-L459 PolarHBondContact O-N 3.38Å; T457-L459 VanDerWaalsContact C-N 3.29Å; T457-L459 PolarHBondContact O-N 3.43Å; L459-F501 HydrophobicContact CD1-CD1 4.47Å; L459-F501 HydrophobicContact CD1-CE1 4.1Å; L459-F501 HydrophobicContact CD2-CD1 4.37Å; L459-F501 HydrophobicContact CD2-CE1 4.01Å; L459-I503 HydrophobicContact CD1-CD1 3.35Å; L459-I503 HydrophobicContact CD1-CG1 4.43Å; L459-T547 HydrophobicContact CD2-CG2 4.48Å
460	L	44.7	Very low	48.3	Very low	81 Å²	81	89.3 Å²	89.3	42%	0.424	46%	0.459	S	S	.	.	S	Bend	trans	-97.6	135.7	178.6	-65.5	170.3	0	0	0	110.3	L456 T462 H550	L456-L460 WeakPolarHBondContact O-CB 3.25Å; L456-L460 WeakPolarHBondContact O-CG 3.4Å; L456-L460 PolarHBondContact O-N 3.21Å; L460-T462 VanDerWaalsContact C-N 3.33Å; L460-T462 PolarHBondContact O-N 2.91Å; L460-H550 PolarHBondContact O-CE1 3.03Å
461	P	36.9	Very low	46.1	Very low	86 Å²	86	90 Å²	90	56%	0.558	47%	0.466	S	S	*	.			trans	-67.3	93.5	170.7	26.4	-29.8	0	0	0	108.8
462	T	33.9	Very low	44.1	Very low	50 Å²	50	96 Å²	96	31%	0.307	50%	0.499	S	S	.	.			trans	-85.7	122	176.7	57	0	0	0	0	109.6	T457 L460 K464	T457-T462 HydrophobicContact CG2-CG2 3.94Å; L460-T462 VanDerWaalsContact C-N 3.33Å; L460-T462 PolarHBondContact O-N 2.91Å; T462-K464 PolarHBondContact O-N 3.32Å
463	T	30.7	Very low	42.2	Very low	144 Å²	144	96.2 Å²	96.2	88%	0.883	51%	0.508	S	S	*	.	S	Bend	trans	-69.4	8.3	175.3	49.3	0	0	0	0	114.2
464	K	27.3	Very low	40.3	Very low	167 Å²	167	99.6 Å²	99.6	73%	0.726	52%	0.524	S	S	*	.	S	Bend	trans	-119.4	131.6	-179.7	-66.4	-176.8	-179.6	176.7	0	110.3	T462 V466	T462-K464 PolarHBondContact O-N 3.32Å; K464-V466 PolarHBondContact O-N 2.96Å
465	P	28.4	Very low	38.3	Very low	111 Å²	111	101.1 Å²	101.1	72%	0.721	54%	0.542	S	S	*	.			trans	-61.7	127.5	178.9	25.7	-32.1	0	0	0	109.7	K467	P465-K467 PolarHBondContact O-N 2.85Å; P465-K467 VanDerWaalsContact O-N 3.09Å
466	V	33.9	Very low	36.4	Very low	78 Å²	78	111.3 Å²	111.3	47%	0.473	58%	0.582	S	S	.	*			trans	-62.8	109.8	171.9	179	0	0	0	0	107.6	T457 K464 Y468	T457-V466 HydrophobicContact CG2-CG2 3.91Å; K464-V466 PolarHBondContact O-N 2.96Å; V466-Y468 HydrophobicContact CB-CD2 4.5Å; V466-Y468 HydrophobicContact CB-CE2 4.2Å; V466-Y468 HydrophobicContact CG1-CD2 4.13Å; V466-Y468 HydrophobicContact CG1-CE2 3.92Å; V466-Y468 PolarHBondContact O-N 3.32Å
467	K	27.4	Very low	34.8	Very low	207 Å²	207	119.1 Å²	119.1	90%	0.9	61%	0.606	S	S	*	*			trans	-64.9	98.5	164.1	-84.6	-176.4	174	-177.8	0	107.3	P465	P465-K467 PolarHBondContact O-N 2.85Å; P465-K467 VanDerWaalsContact O-N 3.09Å
468	Y	31.8	Very low	33.2	Very low	130 Å²	130	125.7 Å²	125.7	51%	0.51	63%	0.63	S	S	.	*			trans	-69.1	143.5	160.9	-75.8	-82.4	0	0	0	108.5	V466 L470 L536	V466-Y468 HydrophobicContact CB-CD2 4.5Å; V466-Y468 HydrophobicContact CB-CE2 4.2Å; V466-Y468 HydrophobicContact CG1-CD2 4.13Å; V466-Y468 HydrophobicContact CG1-CE2 3.92Å; V466-Y468 PolarHBondContact O-N 3.32Å; Y468-L470 PolarHBondContact O-N 2.89Å; Y468-L536 HydrophobicContact CE1-CD2 3.71Å
469	H	28.4	Very low	31.7	Very low	148 Å²	148	134.2 Å²	134.2	69%	0.685	67%	0.665	S	S	*	*			trans	-41.6	101.9	175.5	-92.8	-71.6	0	0	0	111.3	D471	H469-D471 IonicContact CE1-OD2 3.69Å; H469-D471 PolarHBondContact CE1-OD2 3.08Å; H469-D471 IonicContact ND1-OD2 3.74Å; H469-D471 PolarHBondContact ND1-OD2 2.79Å
470	L	29.6	Very low	30.5	Very low	119 Å²	119	137.4 Å²	137.4	62%	0.623	70%	0.7	S	S	*	*			trans	-110.9	37.5	161.3	-144.1	90.3	0	0	0	108.5	Y468 N472	Y468-L470 PolarHBondContact O-N 2.89Å; L470-N472 PolarHBondContact O-N 3.48Å
471	D	26.8	Very low	29.7	Very low	124 Å²	124	141.3 Å²	141.3	66%	0.663	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	73.4	171.6	-62.3	-38.2	0	0	0	107.9	H469	H469-D471 IonicContact CE1-OD2 3.69Å; H469-D471 PolarHBondContact CE1-OD2 3.08Å; H469-D471 IonicContact ND1-OD2 3.74Å; H469-D471 PolarHBondContact ND1-OD2 2.79Å
472	N	29.1	Very low	29.3	Very low	164 Å²	164	142.1 Å²	142.1	88%	0.877	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.4	0.8	156.2	-92.1	-20.7	0	0	0	113.7	L470	L470-N472 PolarHBondContact O-N 3.48Å
473	I	30.7	Very low	29	Very low	129 Å²	129	145.9 Å²	145.9	66%	0.662	75%	0.752	S	S	*	*	S	Bend	trans	-138.6	79.1	176.4	-51.7	176.7	0	0	0	108.6
474	T	29.1	Very low	29	Very low	120 Å²	120	146.5 Å²	146.5	74%	0.736	75%	0.75	S	S	*	*			trans	-179.8	50.7	154.8	35.9	0	0	0	0	111.4
475	S	26.1	Very low	29.1	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	76%	0.759	S	S	*	*			trans	-62.7	138.3	135.6	55.9	0	0	0	0	106.3
476	Y	27.6	Very low	29.2	Very low	215 Å²	215	143.6 Å²	143.6	84%	0.843	76%	0.757	S	S	*	*			trans	89.9	70.9	-173.1	-52.3	-78.4	0	0	0	116.5
477	R	29.9	Very low	28.9	Very low	250 Å²	250	146.1 Å²	146.1	94%	0.943	77%	0.768	S	S	*	*				-170.1	122.3	111.2	-112	173.4	169.6	158.1	-3.6	113.1
478	K	28.8	Very low	29.1	Very low	184 Å²	184	144.8 Å²	144.8	80%	0.8	77%	0.765	S	S	*	*			trans	-66.3	147.4	171.9	-95.3	171.5	171.3	169.6	0	112.4
479	K	28.2	Very low	29.2	Very low	202 Å²	202	145 Å²	145	88%	0.878	78%	0.775	S	S	*	*			trans	66.1	120.4	140.4	-69.5	-179.1	173.1	-170.8	0	119
480	G	30.5	Very low	29.4	Very low	77 Å²	77	145 Å²	145	79%	0.794	78%	0.776	S	S	*	*			trans	173.3	128.8	159.8	0	0	0	0	0	111.4
481	N	29.7	Very low	29.6	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	78%	0.776	S	S	*	*			trans	-79.8	161	-157	-73.2	-23.4	0	0	0	116.6
482	S	26.8	Very low	29.8	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	77%	0.774	S	S	*	*			trans	-45.4	143.1	161.9	51	0	0	0	0	115.6
483	T	28.9	Very low	29.9	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	77%	0.771	S	S	*	*				-177.7	153.4	120.7	32	0	0	0	0	112.6
484	D	30.8	Very low	30.1	Very low	156 Å²	156	145 Å²	145	83%	0.834	77%	0.773	S	S	*	*			trans	91.3	100.8	158	-63.7	-15.1	0	0	0	121.9
485	V	29.3	Very low	30.1	Very low	152 Å²	152	146.9 Å²	146.9	92%	0.921	77%	0.772	S	S	*	*			trans	-82.5	119.5	163	174.6	0	0	0	0	106.9
486	G	29.6	Very low	30.2	Very low	66 Å²	66	147.9 Å²	147.9	68%	0.68	78%	0.776	S	S	*	*			trans	-145.5	99.5	-179.3	0	0	0	0	0	112.5
487	N	26.8	Very low	30.3	Very low	130 Å²	130	146.9 Å²	146.9	70%	0.695	78%	0.779	S	S	*	*			trans	50.7	88.5	150.2	-59.1	-14.3	0	0	0	118.8	D489	N487-D489 VanDerWaalsContact C-N 3.26Å; N487-D489 PolarHBondContact O-N 3.44Å
488	E	32.6	Very low	30.3	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-10.6	170.1	-68.2	-169.6	145.6	0	0	114
489	D	33.7	Very low	30.6	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-18.9	-171.4	-70.6	-33.2	0	0	0	114.9	N487 S492	N487-D489 VanDerWaalsContact C-N 3.26Å; N487-D489 PolarHBondContact O-N 3.44Å; D489-S492 PolarHBondContact O-OG 3.03Å
490	E	32.8	Very low	31.2	Very low	150 Å²	150	137.4 Å²	137.4	70%	0.701	76%	0.759	S	S	*	*	S	Bend	trans	-84.2	-22.2	-179.9	-78.2	-161.2	146.5	0	0	114.4	S492	E490-S492 PolarHBondContact O-N 3.07Å
491	I	33.3	Very low	32.1	Very low	124 Å²	124	136.4 Å²	136.4	64%	0.636	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-73.9	-21	-180	-60.1	176.4	0	0	0	111.2	K493	I491-K493 VanDerWaalsContact C-N 3.31Å; I491-K493 PolarHBondContact O-N 2.87Å
492	S	31.4	Very low	33.4	Very low	89 Å²	89	133.7 Å²	133.7	62%	0.622	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-73.1	-16.1	-177.9	70.7	0	0	0	0	114.6	D489 E490	D489-S492 PolarHBondContact O-OG 3.03Å; E490-S492 PolarHBondContact O-N 3.07Å
493	K	31.7	Very low	34.9	Very low	188 Å²	188	129.9 Å²	129.9	82%	0.817	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-94.7	-6.3	-176.9	-72.6	178.6	-179.9	172.2	0	114.8	I491	I491-K493 VanDerWaalsContact C-N 3.31Å; I491-K493 PolarHBondContact O-N 2.87Å
494	L	33.9	Very low	36.6	Very low	134 Å²	134	132.3 Å²	132.3	70%	0.702	69%	0.688	S	S	*	*	S	Bend	trans	-97.7	-1.4	-171.9	-92.8	145.7	0	0	0	115.6
495	F	30	Very low	38.4	Very low	160 Å²	160	127.7 Å²	127.7	70%	0.702	66%	0.662	S	S	*	*			trans	-134.8	103.7	-177.1	-67.8	-78.5	0	0	0	113	Q497	F495-Q497 PolarHBondContact O-N 3.34Å
496	P	28.6	Very low	40.5	Very low	121 Å²	121	125.2 Å²	125.2	79%	0.786	65%	0.649	S	S	*	*			trans	-75.4	119.2	173.9	28.9	-28.3	0	0	0	110.8
497	Q	29.1	Very low	42.9	Very low	193 Å²	193	124.5 Å²	124.5	90%	0.902	63%	0.627	S	S	*	*			trans	48.4	80.8	154.5	-54.1	-169.8	9.6	0	0	118.1	F495	F495-Q497 PolarHBondContact O-N 3.34Å
498	Q	29.9	Very low	45.4	Very low	138 Å²	138	118.3 Å²	118.3	65%	0.645	59%	0.594	S	S	*	*			trans	-91.4	138.8	158.3	-66.1	-164	-7.9	0	0	110.6	K500	Q498-K500 PolarHBondContact O-N 2.91Å
499	P	34	Very low	47.7	Very low	124 Å²	124	110.9 Å²	110.9	81%	0.805	56%	0.561	S	S	*	*			trans	-67.4	103.3	174	27.8	-30.5	0	0	0	108	F501	P499-F501 PolarHBondContact O-N 3.27Å
500	K	40.9	Very low	50	Low	175 Å²	175	107.6 Å²	107.6	76%	0.761	54%	0.539	S	S	*	.			trans	-59.4	112.6	174.9	-64.9	179.1	176.9	177	0	107.6	Q498 I502	Q498-K500 PolarHBondContact O-N 2.91Å; K500-I502 HydrophobicContact CB-CD1 3.85Å; K500-I502 HydrophobicContact CB-CG1 3.65Å; K500-I502 HydrophobicContact CD-CD1 4.11Å; K500-I502 PolarHBondContact O-N 3.31Å
501	F	50.9	Low	52.3	Low	57 Å²	57	100.6 Å²	100.6	25%	0.25	51%	0.506	C	S	.	.			trans	-68.7	83	165.8	-171.7	-100.3	0	0	0	107.4	I257 L459 P499 I503	I257-F501 HydrophobicContact CG2-CZ 4.46Å; L459-F501 HydrophobicContact CD1-CD1 4.47Å; L459-F501 HydrophobicContact CD1-CE1 4.1Å; L459-F501 HydrophobicContact CD2-CD1 4.37Å; L459-F501 HydrophobicContact CD2-CE1 4.01Å; P499-F501 PolarHBondContact O-N 3.27Å; F501-I503 HydrophobicContact CD1-CG1 4.17Å; F501-I503 HydrophobicContact CE1-CD1 3.78Å; F501-I503 HydrophobicContact CE1-CG1 3.56Å; F501-I503 HydrophobicContact CZ-CD1 4.49Å; F501-I503 HydrophobicContact CZ-CG1 4.12Å
502	I	55.4	Low	54.6	Low	105 Å²	105	94.9 Å²	94.9	54%	0.538	48%	0.477	S	S	.	.			trans	-94.2	104.3	174.2	-58.9	172.7	0	0	0	104.8	K500 K504	K500-I502 HydrophobicContact CB-CD1 3.85Å; K500-I502 HydrophobicContact CB-CG1 3.65Å; K500-I502 HydrophobicContact CD-CD1 4.11Å; K500-I502 PolarHBondContact O-N 3.31Å; I502-K504 WeakPolarHBondContact O-CG 3.07Å; I502-K504 PolarHBondContact O-N 2.96Å
503	I	60	Low	57	Low	23 Å²	23	90.7 Å²	90.7	12%	0.118	45%	0.448	C	S	.	.			trans	-59.8	111.8	162.2	-69.8	173.3	0	0	0	105.9	I257 E261 F455 L459 F501 T508 V509	I257-I503 HydrophobicContact CG2-CD1 3.97Å; E261-I503 VanDerWaalsContact OE1-CA 3.29Å; E261-I503 WeakPolarHBondContact OE1-CA 3.4Å; F455-I503 HydrophobicContact CD1-CD1 4.48Å; F455-I503 HydrophobicContact CE1-CD1 3.22Å; F455-I503 HydrophobicContact CE2-CD1 4.48Å; F455-I503 HydrophobicContact CZ-CD1 3.23Å; L459-I503 HydrophobicContact CD1-CD1 3.35Å; L459-I503 HydrophobicContact CD1-CG1 4.43Å; F501-I503 HydrophobicContact CD1-CG1 4.17Å; F501-I503 HydrophobicContact CE1-CD1 3.78Å; F501-I503 HydrophobicContact CE1-CG1 3.56Å; F501-I503 HydrophobicContact CZ-CD1 4.49Å; F501-I503 HydrophobicContact CZ-CG1 4.12Å; I503-T508 HydrophobicContact CG2-CG2 3.94Å; I503-V509 HydrophobicContact CG2-CG2 4.3Å
504	K	63.3	Low	59.5	Low	180 Å²	180	81.9 Å²	81.9	78%	0.783	41%	0.41	S	S	*	.			trans	-80.7	-32.6	-173.8	-60.4	-176.4	-177.6	176	0	110.3	E261 I502	E261-K504 PolarHBondContact OE1-N 2.95Å; I502-K504 WeakPolarHBondContact O-CG 3.07Å; I502-K504 PolarHBondContact O-N 2.96Å
505	H	68.8	Low	61.8	Low	60 Å²	60	76.6 Å²	76.6	28%	0.278	38%	0.382	S	S	.	.			trans	-97.2	121	-169.5	-157.1	-91.2	0	0	0	112.9	I264 E507 T508	I264-H505 VanDerWaalsContact CG2-ND1 3.33Å; I264-H505 WeakPolarHBondContact CG2-ND1 3.25Å; H505-E507 VanDerWaalsContact C-N 3.29Å; H505-E507 VanDerWaalsContact CE1-CG 3.47Å; H505-E507 WeakPolarHBondContact CE1-CG 3.47Å; H505-E507 IonicContact CE1-OE2 3.75Å; H505-E507 WeakPolarHBondContact ND1-CB 3.3Å; H505-E507 PolarHBondContact ND1-N 3.02Å; H505-E507 PolarHBondContact O-N 3.12Å; H505-T508 VanDerWaalsContact O-CB 3.29Å; H505-T508 WeakPolarHBondContact O-CB 3.23Å; H505-T508 PolarHBondContact O-N 3.42Å; H505-T508 VanDerWaalsContact O-N 3.07Å; H505-T508 PolarHBondContact O-OG1 3Å
506	P	74.9	Confident	64.3	Low	100 Å²	100	70 Å²	70	65%	0.649	35%	0.353	S	S	*	.	H	α-helix	trans	-66.8	-27.7	-177.5	26.2	-34.1	0	0	0	113.2	T508 V509 R510	P506-T508 PolarHBondContact O-N 3.22Å; P506-V509 PolarHBondContact O-N 3.38Å; P506-R510 PolarHBondContact O-N 3.16Å
507	E	78.7	Confident	66.9	Low	50 Å²	50	65.9 Å²	65.9	23%	0.234	32%	0.323	C	S	.	.	H	α-helix	trans	-67.6	-23.9	174.7	-59.8	-172.9	162.3	0	0	112.2	I264 R269 H505 R510 T511	I264-E507 HydrophobicContact CG2-CB 3.93Å; R269-E507 IonicContact CZ-OE1 3.28Å; R269-E507 IonicContact NE-OE1 2.72Å; R269-E507 IonicContact NE-OE2 2.74Å; R269-E507 IonicContact NH2-OE1 3.01Å; R269-E507 PolarHBondContact NH2-OE1 3.43Å; R269-E507 IonicContact NH2-OE2 3.11Å; H505-E507 VanDerWaalsContact C-N 3.29Å; H505-E507 VanDerWaalsContact CE1-CG 3.47Å; H505-E507 WeakPolarHBondContact CE1-CG 3.47Å; H505-E507 IonicContact CE1-OE2 3.75Å; H505-E507 WeakPolarHBondContact ND1-CB 3.3Å; H505-E507 PolarHBondContact ND1-N 3.02Å; H505-E507 PolarHBondContact O-N 3.12Å; E507-R510 PolarHBondContact O-N 3.47Å; E507-T511 WeakPolarHBondContact O-CB 3.03Å; E507-T511 PolarHBondContact O-N 3.06Å; E507-T511 PolarHBondContact O-OG1 3.14Å
508	T	80.3	Confident	69.3	Low	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-43.8	174.8	-54.5	0	0	0	0	110.9	L260 E261 I264 I503 H505 P506 T511 A512	L260-T508 HydrophobicContact CD2-CG2 4.35Å; L260-T508 HydrophobicContact CG-CG2 4.47Å; E261-T508 HydrophobicContact CB-CG2 3.91Å; E261-T508 HydrophobicContact CG-CG2 4.37Å; I264-T508 HydrophobicContact CD1-CG2 4.38Å; I503-T508 HydrophobicContact CG2-CG2 3.94Å; H505-T508 VanDerWaalsContact O-CB 3.29Å; H505-T508 WeakPolarHBondContact O-CB 3.23Å; H505-T508 PolarHBondContact O-N 3.42Å; H505-T508 VanDerWaalsContact O-N 3.07Å; H505-T508 PolarHBondContact O-OG1 3Å; P506-T508 PolarHBondContact O-N 3.22Å; T508-T511 PolarHBondContact O-N 3.16Å; T508-A512 VanDerWaalsContact O-CB 3.28Å; T508-A512 WeakPolarHBondContact O-CB 3.19Å; T508-A512 PolarHBondContact O-N 3.06Å
509	V	80.9	Confident	71.8	Confident	23 Å²	23	51.1 Å²	51.1	14%	0.139	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-47.8	175.1	-175.1	0	0	0	0	110.2	R452 F455 I503 P506 T511 A512 C513	R452-V509 HydrophobicContact CG-CG1 4.13Å; F455-V509 HydrophobicContact CD1-CB 4.3Å; F455-V509 HydrophobicContact CD1-CG1 3.82Å; F455-V509 HydrophobicContact CD1-CG2 3.98Å; F455-V509 HydrophobicContact CE1-CB 4.22Å; F455-V509 HydrophobicContact CE1-CG1 4.25Å; F455-V509 HydrophobicContact CE1-CG2 3.71Å; F455-V509 HydrophobicContact CG-CG1 4.27Å; I503-V509 HydrophobicContact CG2-CG2 4.3Å; P506-V509 PolarHBondContact O-N 3.38Å; V509-T511 VanDerWaalsContact C-N 3.32Å; V509-T511 PolarHBondContact O-N 3.27Å; V509-A512 PolarHBondContact O-N 3.1Å; V509-C513 VanDerWaalsContact O-CB 3.32Å; V509-C513 WeakPolarHBondContact O-CB 3.4Å; V509-C513 PolarHBondContact O-N 3.21Å; V509-C513 PolarHBondContact O-SG 2.74Å
510	R	81.1	Confident	74	Confident	66 Å²	66	47.3 Å²	47.3	25%	0.249	23%	0.226	C	C	.	.	H	α-helix	trans	-57.7	-47	179.1	-174	178.9	-170.1	172.8	-1.5	111.6	Y442 Q443 F445 P506 E507 Y514	Y442-R510 HydrophobicContact CE2-CG 4.01Å; Y442-R510 PolarHBondContact O-NH2 3.44Å; Q443-R510 PolarHBondContact O-NH2 2.84Å; F445-R510 HydrophobicContact CD1-CG 4.37Å; F445-R510 PolarHBondContact O-NE 3.1Å; F445-R510 PolarHBondContact O-NH2 3.17Å; P506-R510 PolarHBondContact O-N 3.16Å; E507-R510 PolarHBondContact O-N 3.47Å; R510-Y514 WeakPolarHBondContact O-CB 3.2Å; R510-Y514 PolarHBondContact O-N 3.04Å
511	T	80.5	Confident	75.7	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-49.9	178.6	-64.4	0	0	0	0	111.8	L260 I264 I270 Y442 E507 T508 V509 C513 Y514 I515	L260-T511 HydrophobicContact CD1-CG2 3.68Å; L260-T511 HydrophobicContact CD2-CG2 4.04Å; L260-T511 HydrophobicContact CG-CG2 4.24Å; I264-T511 HydrophobicContact CD1-CG2 3.95Å; I270-T511 HydrophobicContact CD1-CG2 3.13Å; I270-T511 HydrophobicContact CG1-CG2 3.85Å; Y442-T511 PolarHBondContact OH-OG1 3.49Å; E507-T511 WeakPolarHBondContact O-CB 3.03Å; E507-T511 PolarHBondContact O-N 3.06Å; E507-T511 PolarHBondContact O-OG1 3.14Å; T508-T511 PolarHBondContact O-N 3.16Å; V509-T511 VanDerWaalsContact C-N 3.32Å; V509-T511 PolarHBondContact O-N 3.27Å; T511-C513 PolarHBondContact O-N 2.97Å; T511-Y514 WeakPolarHBondContact O-CB 3.22Å; T511-Y514 PolarHBondContact O-N 3.33Å; T511-Y514 VanDerWaalsContact O-N 3.15Å; T511-I515 HydrophobicContact CG2-CD1 4.1Å; T511-I515 WeakPolarHBondContact O-CG1 3.4Å; T511-I515 PolarHBondContact O-N 3.36Å
512	A	82.6	Confident	76.7	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-43.7	179.8	0	0	0	0	0	111.7	L260 F455 T508 V509 Y514 I515 K516 Y539	L260-A512 HydrophobicContact CD2-CB 4.15Å; F455-A512 HydrophobicContact CD2-CB 4.09Å; F455-A512 HydrophobicContact CE2-CB 3.43Å; F455-A512 VanDerWaalsContact CE2-CB 3.43Å; F455-A512 HydrophobicContact CZ-CB 4.01Å; T508-A512 VanDerWaalsContact O-CB 3.28Å; T508-A512 WeakPolarHBondContact O-CB 3.19Å; T508-A512 PolarHBondContact O-N 3.06Å; V509-A512 PolarHBondContact O-N 3.1Å; A512-Y514 VanDerWaalsContact C-N 3.31Å; A512-Y514 PolarHBondContact O-N 3.22Å; A512-I515 PolarHBondContact O-N 2.93Å; A512-K516 PolarHBondContact O-N 3.37Å; A512-Y539 HydrophobicContact CB-CD1 4.4Å; A512-Y539 HydrophobicContact CB-CE1 3.85Å; A512-Y539 PolarHBondContact O-OH 3.1Å
513	C	82.3	Confident	77.5	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.014	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-37.3	173.9	-70	0	0	0	0	112.2	F445 P447 V509 T511 K516 H517	F445-C513 HydrophobicContact CE1-CB 3.77Å; F445-C513 HydrophobicContact CZ-CB 4.03Å; P447-C513 HydrophobicContact CB-CB 3.86Å; V509-C513 VanDerWaalsContact O-CB 3.32Å; V509-C513 WeakPolarHBondContact O-CB 3.4Å; V509-C513 PolarHBondContact O-N 3.21Å; V509-C513 PolarHBondContact O-SG 2.74Å; T511-C513 PolarHBondContact O-N 2.97Å; C513-K516 PolarHBondContact O-N 3.45Å; C513-H517 WeakPolarHBondContact O-CB 3.49Å; C513-H517 PolarHBondContact O-N 3.33Å
514	Y	82.9	Confident	77.6	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-43.5	176.1	179.1	-108.8	0	0	0	111.8	I270 S440 Y442 F445 R510 T511 A512 K516 H517 L518	I270-Y514 HydrophobicContact CG2-CD1 4.29Å; I270-Y514 HydrophobicContact CG2-CE1 4.2Å; S440-Y514 VanDerWaalsContact O-CE2 3.31Å; S440-Y514 WeakPolarHBondContact O-CE2 3.05Å; S440-Y514 PolarHBondContact O-OH 2.86Å; Y442-Y514 AromaticContact CD2-CD1 3.6Å; Y442-Y514 HydrophobicContact CD2-CD1 3.6Å; Y442-Y514 HydrophobicContact CD2-CD2 4.04Å; Y442-Y514 HydrophobicContact CD2-CE1 4.1Å; Y442-Y514 HydrophobicContact CD2-CE2 4.49Å; Y442-Y514 AromaticContact CD2-CG 3.55Å; Y442-Y514 HydrophobicContact CD2-CG 3.55Å; Y442-Y514 HydrophobicContact CE2-CD1 4.36Å; Y442-Y514 HydrophobicContact CE2-CG 4.21Å; Y442-Y514 HydrophobicContact CG-CD1 4.4Å; Y442-Y514 HydrophobicContact CG-CE1 4.49Å; F445-Y514 HydrophobicContact CB-CD2 3.81Å; F445-Y514 HydrophobicContact CB-CE2 4.34Å; F445-Y514 HydrophobicContact CD1-CD2 4.02Å; F445-Y514 HydrophobicContact CD1-CG 4.36Å; F445-Y514 HydrophobicContact CD2-CD2 4.02Å; F445-Y514 AromaticContact CG-CD2 3.68Å; F445-Y514 HydrophobicContact CG-CD2 3.68Å; F445-Y514 HydrophobicContact CG-CG 4.45Å; R510-Y514 WeakPolarHBondContact O-CB 3.2Å; R510-Y514 PolarHBondContact O-N 3.04Å; T511-Y514 WeakPolarHBondContact O-CB 3.22Å; T511-Y514 PolarHBondContact O-N 3.33Å; T511-Y514 VanDerWaalsContact O-N 3.15Å; A512-Y514 VanDerWaalsContact C-N 3.31Å; A512-Y514 PolarHBondContact O-N 3.22Å; Y514-K516 PolarHBondContact O-N 3.35Å; Y514-H517 CarbonylContact O-C 3.41Å; Y514-H517 WeakPolarHBondContact O-CA 3.37Å; Y514-H517 WeakPolarHBondContact O-CB 3.28Å; Y514-H517 PolarHBondContact O-N 2.99Å; Y514-H517 VanDerWaalsContact O-N 3.09Å; Y514-L518 HydrophobicContact CD1-CD1 4.12Å; Y514-L518 HydrophobicContact CD1-CG 4.38Å; Y514-L518 HydrophobicContact CE1-CD1 3.65Å; Y514-L518 HydrophobicContact CE1-CD2 4.31Å; Y514-L518 HydrophobicContact CE1-CG 4.03Å; Y514-L518 HydrophobicContact CE2-CD2 4.37Å; Y514-L518 WeakPolarHBondContact O-CG 3.49Å; Y514-L518 PolarHBondContact O-N 2.89Å
515	I	82.4	Confident	77.2	Confident	23 Å²	23	35.5 Å²	35.5	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-48.7	174.5	-67.2	166.6	0	0	0	109.9	L229 L254 I270 T511 A512 H517 L518 F519	L229-I515 HydrophobicContact CD1-CG2 4.12Å; L229-I515 HydrophobicContact CD2-CG1 4.48Å; L254-I515 HydrophobicContact CD2-CG2 4.1Å; I270-I515 HydrophobicContact CD1-CD1 4.05Å; I270-I515 HydrophobicContact CD1-CG1 4.23Å; T511-I515 HydrophobicContact CG2-CD1 4.1Å; T511-I515 WeakPolarHBondContact O-CG1 3.4Å; T511-I515 PolarHBondContact O-N 3.36Å; A512-I515 PolarHBondContact O-N 2.93Å; I515-H517 VanDerWaalsContact C-N 3.25Å; I515-H517 PolarHBondContact O-N 3.44Å; I515-L518 WeakPolarHBondContact O-CB 3.37Å; I515-L518 PolarHBondContact O-N 3.12Å; I515-L518 VanDerWaalsContact O-N 3.11Å; I515-F519 HydrophobicContact CG2-CD2 3.98Å; I515-F519 HydrophobicContact CG2-CE2 3.8Å; I515-F519 VanDerWaalsContact O-CD2 3.31Å; I515-F519 WeakPolarHBondContact O-CD2 3.44Å; I515-F519 PolarHBondContact O-N 3.38Å; I515-F519 VanDerWaalsContact O-N 3.14Å
516	K	83.9	Confident	76.5	Confident	22 Å²	22	33.7 Å²	33.7	10%	0.096	17%	0.17	C	C	.	.	H	α-helix	trans	-54.4	-44.4	173.5	178.1	-179.8	169.4	-179.5	0	111.3	L254 E454 A512 C513 Y514 L518 F519 E520 F537 Y539	L254-K516 HydrophobicContact CD1-CB 3.78Å; L254-K516 HydrophobicContact CD1-CG 4.44Å; E454-K516 IonicContact OE2-NZ 2.87Å; E454-K516 PolarHBondContact OE2-NZ 2.93Å; A512-K516 PolarHBondContact O-N 3.37Å; C513-K516 PolarHBondContact O-N 3.45Å; Y514-K516 PolarHBondContact O-N 3.35Å; K516-L518 VanDerWaalsContact C-N 3.34Å; K516-L518 PolarHBondContact O-N 3.13Å; K516-F519 PolarHBondContact O-N 3.46Å; K516-E520 WeakPolarHBondContact CE-OE1 3.38Å; K516-E520 WeakPolarHBondContact O-CG 3.48Å; K516-E520 PolarHBondContact O-N 3.18Å; K516-F537 HydrophobicContact CD-CB 4.38Å; K516-F537 HydrophobicContact CD-CG 4.48Å; K516-F537 HydrophobicContact CG-CD1 4.34Å; K516-F537 HydrophobicContact CG-CD2 4.46Å; K516-F537 HydrophobicContact CG-CG 4.26Å; K516-Y539 VanDerWaalsContact CB-OH 3.24Å; K516-Y539 WeakPolarHBondContact CB-OH 3.49Å; K516-Y539 HydrophobicContact CD-CE2 4.21Å; K516-Y539 VanDerWaalsContact CD-OH 3.25Å; K516-Y539 WeakPolarHBondContact CD-OH 3.36Å
517	H	82.2	Confident	75.1	Confident	35 Å²	35	33.9 Å²	33.9	16%	0.162	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-40.6	178	-171	57.1	0	0	0	112.4	F445 C513 Y514 I515 F519 E520 L521	F445-H517 HydrophobicContact CE2-CB 3.77Å; F445-H517 AromaticContact CE2-CD2 3.83Å; F445-H517 AromaticContact CE2-CG 3.73Å; F445-H517 HydrophobicContact CZ-CB 4.08Å; C513-H517 WeakPolarHBondContact O-CB 3.49Å; C513-H517 PolarHBondContact O-N 3.33Å; Y514-H517 CarbonylContact O-C 3.41Å; Y514-H517 WeakPolarHBondContact O-CA 3.37Å; Y514-H517 WeakPolarHBondContact O-CB 3.28Å; Y514-H517 PolarHBondContact O-N 2.99Å; Y514-H517 VanDerWaalsContact O-N 3.09Å; I515-H517 VanDerWaalsContact C-N 3.25Å; I515-H517 PolarHBondContact O-N 3.44Å; H517-F519 PolarHBondContact O-N 3.03Å; H517-E520 WeakPolarHBondContact O-CB 3.49Å; H517-E520 PolarHBondContact O-N 3.01Å; H517-E520 VanDerWaalsContact O-N 3.15Å; H517-L521 WeakPolarHBondContact O-CG 3.46Å; H517-L521 PolarHBondContact O-N 3.32Å
518	L	80	Confident	73.8	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-46.9	174.2	-68.3	177.7	0	0	0	111.7	L233 V437 Y514 I515 K516 E520 L521 T522	L233-L518 HydrophobicContact CD1-CB 4.47Å; L233-L518 HydrophobicContact CD2-CB 4.3Å; V437-L518 HydrophobicContact CG2-CD1 4.45Å; V437-L518 HydrophobicContact CG2-CD2 3.94Å; Y514-L518 HydrophobicContact CD1-CD1 4.12Å; Y514-L518 HydrophobicContact CD1-CG 4.38Å; Y514-L518 HydrophobicContact CE1-CD1 3.65Å; Y514-L518 HydrophobicContact CE1-CD2 4.31Å; Y514-L518 HydrophobicContact CE1-CG 4.03Å; Y514-L518 HydrophobicContact CE2-CD2 4.37Å; Y514-L518 WeakPolarHBondContact O-CG 3.49Å; Y514-L518 PolarHBondContact O-N 2.89Å; I515-L518 WeakPolarHBondContact O-CB 3.37Å; I515-L518 PolarHBondContact O-N 3.12Å; I515-L518 VanDerWaalsContact O-N 3.11Å; K516-L518 VanDerWaalsContact C-N 3.34Å; K516-L518 PolarHBondContact O-N 3.13Å; L518-E520 VanDerWaalsContact C-N 3.26Å; L518-E520 PolarHBondContact O-N 3.08Å; L518-L521 PolarHBondContact O-N 3.02Å; L518-T522 PolarHBondContact O-N 3.39Å; L518-T522 PolarHBondContact O-OG1 2.88Å
519	F	81.8	Confident	72.3	Confident	14 Å²	14	42.1 Å²	42.1	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-35.3	175.1	-81.2	-86.7	0	0	0	112.6	L229 L233 F236 L254 I515 K516 H517 F537	L229-F519 HydrophobicContact CD1-CE2 4.37Å; L233-F519 HydrophobicContact CD2-CB 4.49Å; L233-F519 HydrophobicContact CD2-CD1 3.8Å; L233-F519 HydrophobicContact CD2-CD2 3.82Å; L233-F519 HydrophobicContact CD2-CE1 3.85Å; L233-F519 HydrophobicContact CD2-CE2 3.87Å; L233-F519 HydrophobicContact CD2-CG 3.77Å; L233-F519 HydrophobicContact CD2-CZ 3.88Å; L233-F519 HydrophobicContact CG-CZ 4.35Å; F236-F519 HydrophobicContact CB-CD1 3.94Å; F236-F519 HydrophobicContact CB-CE1 3.71Å; F236-F519 AromaticContact CD1-CD1 3.62Å; F236-F519 HydrophobicContact CD1-CD1 3.62Å; F236-F519 HydrophobicContact CD1-CE1 4.29Å; F236-F519 HydrophobicContact CD2-CD1 4.13Å; F236-F519 HydrophobicContact CD2-CE1 4.39Å; F236-F519 HydrophobicContact CE1-CD1 4.15Å; F236-F519 WeakPolarHBondContact CE1-O 3.48Å; F236-F519 AromaticContact CG-CD1 3.6Å; F236-F519 HydrophobicContact CG-CD1 3.6Å; F236-F519 AromaticContact CG-CE1 3.87Å; F236-F519 HydrophobicContact CG-CE1 3.87Å; L254-F519 HydrophobicContact CD2-CD2 3.94Å; L254-F519 HydrophobicContact CD2-CE2 3.8Å; I515-F519 HydrophobicContact CG2-CD2 3.98Å; I515-F519 HydrophobicContact CG2-CE2 3.8Å; I515-F519 VanDerWaalsContact O-CD2 3.31Å; I515-F519 WeakPolarHBondContact O-CD2 3.44Å; I515-F519 PolarHBondContact O-N 3.38Å; I515-F519 VanDerWaalsContact O-N 3.14Å; K516-F519 PolarHBondContact O-N 3.46Å; H517-F519 PolarHBondContact O-N 3.03Å; F519-F537 HydrophobicContact CB-CE1 3.69Å; F519-F537 HydrophobicContact CB-CZ 3.86Å; F519-F537 HydrophobicContact CG-CE1 4.28Å
520	E	80.1	Confident	71	Confident	44 Å²	44	42.5 Å²	42.5	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-70.4	-39.3	175.3	-71.9	174.8	169.8	0	0	112.6	K516 H517 L518 T522 K523 F537	K516-E520 WeakPolarHBondContact CE-OE1 3.38Å; K516-E520 WeakPolarHBondContact O-CG 3.48Å; K516-E520 PolarHBondContact O-N 3.18Å; H517-E520 WeakPolarHBondContact O-CB 3.49Å; H517-E520 PolarHBondContact O-N 3.01Å; H517-E520 VanDerWaalsContact O-N 3.15Å; L518-E520 VanDerWaalsContact C-N 3.26Å; L518-E520 PolarHBondContact O-N 3.08Å; E520-T522 VanDerWaalsContact C-N 3.35Å; E520-K523 VanDerWaalsContact O-CB 3.32Å; E520-K523 WeakPolarHBondContact O-CB 3.25Å; E520-K523 PolarHBondContact O-N 3.4Å; E520-F537 HydrophobicContact CG-CE2 3.82Å; E520-F537 HydrophobicContact CG-CZ 4.07Å
521	L	76.3	Confident	69.6	Low	26 Å²	26	47.3 Å²	47.3	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-38.7	176.1	-72.9	178	0	0	0	111.9	L436 H517 L518 K523 R524 G525	L436-L521 HydrophobicContact CD2-CB 4.48Å; H517-L521 WeakPolarHBondContact O-CG 3.46Å; H517-L521 PolarHBondContact O-N 3.32Å; L518-L521 PolarHBondContact O-N 3.02Å; L521-K523 PolarHBondContact O-N 3.13Å; L521-K523 VanDerWaalsContact O-N 3.12Å; L521-R524 PolarHBondContact O-N 2.71Å; L521-G525 PolarHBondContact O-N 3.18Å
522	T	72.9	Confident	68.7	Low	4 Å²	4	54.8 Å²	54.8	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-56	-29.5	174.9	-55	0	0	0	0	112.1	F236 E237 L518 E520	F236-T522 HydrophobicContact CD1-CG2 4.42Å; E237-T522 HydrophobicContact CB-CG2 3.58Å; E237-T522 HydrophobicContact CG-CG2 3.87Å; L518-T522 PolarHBondContact O-N 3.39Å; L518-T522 PolarHBondContact O-OG1 2.88Å; E520-T522 VanDerWaalsContact C-N 3.35Å
523	K	71.5	Confident	68.1	Low	21 Å²	21	55.4 Å²	55.4	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-71.3	-34.1	174.7	-57.3	173.8	-179.2	173.8	0	113.3	F236 W240 E520 L521 T526 Y535	F236-K523 HydrophobicContact CE1-CG 4.08Å; F236-K523 HydrophobicContact CZ-CG 4.39Å; W240-K523 HydrophobicContact CD2-CG 4.13Å; W240-K523 HydrophobicContact CH2-CD 4.25Å; W240-K523 HydrophobicContact CZ2-CD 4.1Å; W240-K523 HydrophobicContact CZ2-CG 4.21Å; E520-K523 VanDerWaalsContact O-CB 3.32Å; E520-K523 WeakPolarHBondContact O-CB 3.25Å; E520-K523 PolarHBondContact O-N 3.4Å; L521-K523 PolarHBondContact O-N 3.13Å; L521-K523 VanDerWaalsContact O-N 3.12Å; K523-T526 PolarHBondContact O-OG1 3.44Å; K523-Y535 HydrophobicContact CD-CD1 4.48Å; K523-Y535 HydrophobicContact CD-CE1 4.27Å
524	R	62.3	Low	67.7	Low	202 Å²	202	58.5 Å²	58.5	76%	0.762	30%	0.302	S	S	*	.	H	α-helix	trans	-76.9	-26.3	-177.1	-67.3	-176.8	177.9	175.2	-1.2	112.2	L521 T526	L521-R524 PolarHBondContact O-N 2.71Å; R524-T526 PolarHBondContact O-N 3.05Å
525	G	55.3	Low	67.3	Low	39 Å²	39	63.1 Å²	63.1	40%	0.402	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.1	176.1	0	0	0	0	0	114.1	L521	L521-G525 PolarHBondContact O-N 3.18Å
526	T	54.2	Low	67.2	Low	22 Å²	22	62.5 Å²	62.5	14%	0.135	32%	0.317	C	S	.	.	S	Bend	trans	-110.9	114.2	-173.9	51.1	0	0	0	0	110	N241 K523 R524	N241-T526 WeakPolarHBondContact ND2-CG2 3.31Å; N241-T526 WeakPolarHBondContact OD1-CB 3.44Å; N241-T526 WeakPolarHBondContact OD1-CG2 3.28Å; N241-T526 PolarHBondContact OD1-OG1 2.77Å; K523-T526 PolarHBondContact O-OG1 3.44Å; R524-T526 PolarHBondContact O-N 3.05Å
527	T	45.3	Very low	67	Low	105 Å²	105	62.2 Å²	62.2	64%	0.644	32%	0.316	S	S	*	.			trans	-23.3	136.1	176.3	52.1	0	0	0	0	114.8	F529	T527-F529 PolarHBondContact O-N 3.38Å
528	S	50.6	Low	66.9	Low	90 Å²	90	61.3 Å²	61.3	63%	0.629	31%	0.311	S	S	*	.	S	Bend	trans	-17	14.2	167.5	58	0	0	0	0	122.4
529	F	49	Very low	66.8	Low	132 Å²	132	61.1 Å²	61.1	58%	0.579	31%	0.31	S	S	*	.	S	Bend	trans	-98.6	-0.4	-170.2	-80	-82.3	0	0	0	114.1	T527	T527-F529 PolarHBondContact O-N 3.38Å
530	C	53.1	Low	66.8	Low	32 Å²	32	60.7 Å²	60.7	22%	0.216	31%	0.308	C	S	.	.			trans	-123.8	19.9	-174.3	-78.9	0	0	0	0	114	W240 N532 R533	W240-C530 HydrophobicContact CZ2-CB 4.31Å; C530-N532 PolarHBondContact O-N 3.19Å; C530-R533 PolarHBondContact O-N 3.19Å; C530-R533 VanDerWaalsContact O-N 3.11Å
531	E	53.4	Low	66.5	Low	166 Å²	166	59 Å²	59	78%	0.776	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.8	-171.5	-69.9	-177.3	167	0	0	114.7
532	N	61.4	Low	66.2	Low	159 Å²	159	58.1 Å²	58.1	85%	0.85	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	15	-179.2	-69.6	-4.9	0	0	0	114.7	C530 I534	C530-N532 PolarHBondContact O-N 3.19Å; N532-I534 PolarHBondContact O-N 3.38Å
533	R	69.8	Low	66.1	Low	17 Å²	17	59 Å²	59	6%	0.064	30%	0.303	C	S	.	.			trans	-83.4	117.8	179.4	-170.4	177	-173.2	177.5	5.5	111	A239 W240 L245 V248 M250 C530	A239-R533 PolarHBondContact O-NH1 3.45Å; W240-R533 HydrophobicContact CH2-CB 4.04Å; W240-R533 HydrophobicContact CH2-CG 3.98Å; W240-R533 HydrophobicContact CZ2-CB 4.32Å; W240-R533 HydrophobicContact CZ3-CG 4.33Å; W240-R533 PolarHBondContact O-NH1 2.98Å; W240-R533 VanDerWaalsContact O-NH1 3.11Å; L245-R533 PolarHBondContact O-NE 2.98Å; L245-R533 PolarHBondContact O-NH2 3.34Å; V248-R533 VanDerWaalsContact O-CZ 3.29Å; V248-R533 PolarHBondContact O-NE 3.49Å; V248-R533 PolarHBondContact O-NH2 3.31Å; M250-R533 PolarHBondContact SD-NH2 3.47Å; C530-R533 PolarHBondContact O-N 3.19Å; C530-R533 VanDerWaalsContact O-N 3.11Å
534	I	73.5	Confident	66.3	Low	67 Å²	67	60.4 Å²	60.4	34%	0.344	31%	0.312	S	S	.	.			trans	-73.8	134.8	178	-46.3	170.5	0	0	0	110.5	P249 M250 N532 F558	P249-I534 WeakPolarHBondContact CA-O 3.25Å; M250-I534 PolarHBondContact N-O 2.84Å; M250-I534 VanDerWaalsContact N-O 3.1Å; N532-I534 PolarHBondContact O-N 3.38Å; I534-F558 HydrophobicContact CB-CZ 4.03Å; I534-F558 HydrophobicContact CD1-CZ 4.43Å; I534-F558 HydrophobicContact CG2-CE2 3.53Å; I534-F558 HydrophobicContact CG2-CZ 3.32Å
535	Y	75	Confident	67	Low	99 Å²	99	53 Å²	53	39%	0.388	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.3	174.7	62.9	-96	0	0	0	112	W240 M250 K523 F537	W240-Y535 AromaticContact CH2-CD1 3.7Å; W240-Y535 HydrophobicContact CH2-CD1 3.7Å; W240-Y535 HydrophobicContact CH2-CG 4.28Å; W240-Y535 HydrophobicContact CZ3-CD1 4.35Å; W240-Y535 HydrophobicContact CZ3-CG 4.5Å; M250-Y535 CarbonylContact O-C 3.6Å; M250-Y535 WeakPolarHBondContact O-CA 3.33Å; K523-Y535 HydrophobicContact CD-CD1 4.48Å; K523-Y535 HydrophobicContact CD-CE1 4.27Å; Y535-F537 AromaticContact CD2-CD2 3.98Å; Y535-F537 HydrophobicContact CD2-CD2 3.98Å; Y535-F537 AromaticContact CD2-CE2 3.72Å; Y535-F537 HydrophobicContact CD2-CE2 3.72Å; Y535-F537 HydrophobicContact CE2-CD2 4.21Å; Y535-F537 AromaticContact CE2-CE2 3.84Å; Y535-F537 HydrophobicContact CE2-CE2 3.84Å
536	L	78.9	Confident	68	Low	11 Å²	11	56.5 Å²	56.5	6%	0.058	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.9	173.5	-68.8	179	0	0	0	110.6	M250 V252 Y468 Y538 F558	M250-L536 PolarHBondContact O-N 3.32Å; V252-L536 PolarHBondContact N-O 3.33Å; Y468-L536 HydrophobicContact CE1-CD2 3.71Å; L536-Y538 HydrophobicContact CB-CD2 4.37Å; L536-Y538 HydrophobicContact CB-CE2 3.85Å; L536-Y538 HydrophobicContact CD1-CE2 3.94Å; L536-F558 HydrophobicContact CD1-CB 3.76Å; L536-F558 HydrophobicContact CD1-CD1 3.5Å; L536-F558 HydrophobicContact CD1-CD2 3.56Å; L536-F558 HydrophobicContact CD1-CE1 3.98Å; L536-F558 HydrophobicContact CD1-CE2 4.02Å; L536-F558 HydrophobicContact CD1-CG 3.27Å; L536-F558 HydrophobicContact CD1-CZ 4.22Å; L536-F558 HydrophobicContact CG-CD1 4.44Å; L536-F558 HydrophobicContact CG-CD2 4.3Å; L536-F558 HydrophobicContact CG-CE1 4.46Å; L536-F558 HydrophobicContact CG-CE2 4.32Å; L536-F558 HydrophobicContact CG-CG 4.37Å; L536-F558 HydrophobicContact CG-CZ 4.41Å
537	F	80.3	Confident	68.8	Low	15 Å²	15	56 Å²	56	7%	0.066	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.7	171.4	-72.7	-87.4	0	0	0	109.4	V252 L254 K516 F519 E520 Y535	V252-F537 HydrophobicContact CB-CD1 3.59Å; V252-F537 HydrophobicContact CB-CE1 3.72Å; V252-F537 HydrophobicContact CB-CG 4.4Å; V252-F537 HydrophobicContact CG1-CD1 3.77Å; V252-F537 HydrophobicContact CG1-CE1 3.71Å; V252-F537 HydrophobicContact CG2-CD1 4.3Å; V252-F537 HydrophobicContact CG2-CE1 4.01Å; V252-F537 WeakPolarHBondContact O-CA 3.39Å; L254-F537 HydrophobicContact CD1-CD1 4.37Å; K516-F537 HydrophobicContact CD-CB 4.38Å; K516-F537 HydrophobicContact CD-CG 4.48Å; K516-F537 HydrophobicContact CG-CD1 4.34Å; K516-F537 HydrophobicContact CG-CD2 4.46Å; K516-F537 HydrophobicContact CG-CG 4.26Å; F519-F537 HydrophobicContact CB-CE1 3.69Å; F519-F537 HydrophobicContact CB-CZ 3.86Å; F519-F537 HydrophobicContact CG-CE1 4.28Å; E520-F537 HydrophobicContact CG-CE2 3.82Å; E520-F537 HydrophobicContact CG-CZ 4.07Å; Y535-F537 AromaticContact CD2-CD2 3.98Å; Y535-F537 HydrophobicContact CD2-CD2 3.98Å; Y535-F537 AromaticContact CD2-CE2 3.72Å; Y535-F537 HydrophobicContact CD2-CE2 3.72Å; Y535-F537 HydrophobicContact CE2-CD2 4.21Å; Y535-F537 AromaticContact CE2-CE2 3.84Å; Y535-F537 HydrophobicContact CE2-CE2 3.84Å
538	Y	79.7	Confident	70.4	Confident	16 Å²	16	51.1 Å²	51.1	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.4	172.4	-71.3	-80.9	0	0	0	110.2	I251 V252 F253 L254 L536 I551 C555	I251-Y538 HydrophobicContact CG2-CD2 3.65Å; I251-Y538 HydrophobicContact CG2-CE2 3.94Å; V252-Y538 PolarHBondContact O-N 3.01Å; F253-Y538 CarbonylContact C-O 3.56Å; F253-Y538 WeakPolarHBondContact CA-O 3.29Å; F253-Y538 HydrophobicContact CE1-CD2 4.02Å; F253-Y538 HydrophobicContact CE1-CG 4.25Å; L254-Y538 PolarHBondContact N-O 2.64Å; L536-Y538 HydrophobicContact CB-CD2 4.37Å; L536-Y538 HydrophobicContact CB-CE2 3.85Å; L536-Y538 HydrophobicContact CD1-CE2 3.94Å; Y538-I551 HydrophobicContact CD1-CB 4.4Å; Y538-I551 HydrophobicContact CD1-CG1 4.18Å; Y538-I551 HydrophobicContact CD1-CG2 3.76Å; Y538-I551 HydrophobicContact CD2-CG2 4.35Å; Y538-I551 HydrophobicContact CE1-CG2 4.43Å; Y538-I551 HydrophobicContact CG-CG2 3.71Å; Y538-C555 WeakPolarHBondContact CE2-SG 3.41Å
539	Y	79.3	Confident	71.6	Confident	3 Å²	3	50.4 Å²	50.4	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.5	174	-75	-69.6	0	0	0	108.6	L254 I257 F455 C458 A512 K516 I551	L254-Y539 HydrophobicContact CB-CD1 3.87Å; L254-Y539 HydrophobicContact CB-CE1 4.17Å; L254-Y539 HydrophobicContact CD1-CD1 3.94Å; L254-Y539 HydrophobicContact CD1-CE1 3.39Å; L254-Y539 HydrophobicContact CG-CE1 4.41Å; I257-Y539 VanDerWaalsContact CD1-C 3.46Å; I257-Y539 HydrophobicContact CD1-CD1 3.72Å; I257-Y539 HydrophobicContact CD1-CG 3.94Å; F455-Y539 HydrophobicContact CB-CE2 4.28Å; F455-Y539 AromaticContact CD2-CD1 3.79Å; F455-Y539 HydrophobicContact CD2-CD1 3.79Å; F455-Y539 AromaticContact CD2-CD2 3.62Å; F455-Y539 HydrophobicContact CD2-CD2 3.62Å; F455-Y539 AromaticContact CD2-CE1 3.78Å; F455-Y539 HydrophobicContact CD2-CE1 3.78Å; F455-Y539 AromaticContact CD2-CE2 3.61Å; F455-Y539 HydrophobicContact CD2-CE2 3.61Å; F455-Y539 AromaticContact CD2-CG 3.69Å; F455-Y539 HydrophobicContact CD2-CG 3.69Å; F455-Y539 AromaticContact CD2-CZ 3.66Å; F455-Y539 AromaticContact CE2-CD1 3.71Å; F455-Y539 HydrophobicContact CE2-CD1 3.71Å; F455-Y539 HydrophobicContact CE2-CD2 4.3Å; F455-Y539 AromaticContact CE2-CE1 3.92Å; F455-Y539 HydrophobicContact CE2-CE1 3.92Å; F455-Y539 HydrophobicContact CE2-CE2 4.49Å; F455-Y539 AromaticContact CE2-CG 3.89Å; F455-Y539 HydrophobicContact CE2-CG 3.89Å; F455-Y539 HydrophobicContact CG-CE2 4.44Å; C458-Y539 HydrophobicContact CB-CD2 4.1Å; A512-Y539 HydrophobicContact CB-CD1 4.4Å; A512-Y539 HydrophobicContact CB-CE1 3.85Å; A512-Y539 PolarHBondContact O-OH 3.1Å; K516-Y539 VanDerWaalsContact CB-OH 3.24Å; K516-Y539 WeakPolarHBondContact CB-OH 3.49Å; K516-Y539 HydrophobicContact CD-CE2 4.21Å; K516-Y539 VanDerWaalsContact CD-OH 3.25Å; K516-Y539 WeakPolarHBondContact CD-OH 3.36Å; Y539-I551 WeakPolarHBondContact O-CD1 3.45Å
540	T	80.1	Confident	72.8	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.025	23%	0.234	C	C	.	.			trans	-119.7	142.4	-171.5	56.3	0	0	0	0	112.3	F253 L254 N255 K256 I257 M548 I551	F253-T540 HydrophobicContact CB-CG2 4.16Å; F253-T540 HydrophobicContact CD1-CG2 3.46Å; F253-T540 VanDerWaalsContact CD1-CG2 3.46Å; F253-T540 HydrophobicContact CE1-CG2 4.25Å; F253-T540 HydrophobicContact CG-CG2 4.17Å; L254-T540 PolarHBondContact O-N 2.79Å; N255-T540 CarbonylContact C-O 3.48Å; N255-T540 WeakPolarHBondContact CA-O 3.4Å; N255-T540 WeakPolarHBondContact CA-OG1 3.1Å; N255-T540 WeakPolarHBondContact CB-OG1 3.31Å; N255-T540 PolarHBondContact OD1-O 3.41Å; N255-T540 PolarHBondContact OD1-OG1 3.05Å; K256-T540 PolarHBondContact N-O 2.61Å; K256-T540 VanDerWaalsContact N-O 3.13Å; I257-T540 PolarHBondContact N-O 2.92Å; T540-M548 HydrophobicContact CG2-CE 3.61Å; T540-M548 HydrophobicContact CG2-SD 4.13Å; T540-I551 HydrophobicContact CG2-CD1 3.65Å; T540-I551 HydrophobicContact CG2-CG2 4.07Å
541	C	75	Confident	73.9	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.061	23%	0.225	C	C	.	.			trans	-110.5	97.7	157.5	174.1	0	0	0	0	106.6	D258 V543 N544 M548	D258-C541 VanDerWaalsContact CG-SG 3.56Å; C541-V543 PolarHBondContact O-N 2.87Å; C541-N544 HydrophobicContact CB-CB 4.34Å; C541-N544 PolarHBondContact O-N 3.12Å; C541-M548 VanDerWaalsContact O-CE 3.24Å; C541-M548 WeakPolarHBondContact O-CE 3.14Å
542	A	68.8	Low	75	Confident	7 Å²	7	37.6 Å²	37.6	6%	0.058	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-13	-173.1	0	0	0	0	0	114.5	T61 Q65 N255	T61-A542 HydrophobicContact CG2-CB 3.83Å; T61-A542 WeakPolarHBondContact CG2-O 3.5Å; Q65-A542 WeakPolarHBondContact CG-O 3.49Å; Q65-A542 PolarHBondContact NE2-O 3.23Å; N255-A542 WeakPolarHBondContact ND2-CB 3.49Å; N255-A542 WeakPolarHBondContact OD1-CB 3.43Å; N255-A542 PolarHBondContact OD1-N 2.74Å
543	V	70.7	Confident	75.6	Confident	22 Å²	22	33.3 Å²	33.3	13%	0.133	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-29.4	-179	-177.2	0	0	0	0	111.6	Q65 C541 T545	Q65-V543 PolarHBondContact NE2-O 3.24Å; C541-V543 PolarHBondContact O-N 2.87Å; V543-T545 PolarHBondContact O-N 3.02Å
544	N	76.6	Confident	75.8	Confident	52 Å²	52	33.7 Å²	33.7	28%	0.278	17%	0.174	S	C	.	.			trans	-87.4	104.6	-176.6	-171.8	-20.6	0	0	0	111.1	C541 N546 T547 M548	C541-N544 HydrophobicContact CB-CB 4.34Å; C541-N544 PolarHBondContact O-N 3.12Å; N544-N546 VanDerWaalsContact C-N 3.27Å; N544-N546 PolarHBondContact O-N 3.26Å; N544-N546 PolarHBondContact OD1-N 2.91Å; N544-N546 VanDerWaalsContact OD1-N 3.08Å; N544-T547 PolarHBondContact ND2-OG1 3.43Å; N544-T547 PolarHBondContact O-N 3.35Å; N544-M548 WeakPolarHBondContact O-CG 3.41Å; N544-M548 PolarHBondContact O-N 3.12Å
545	T	76.7	Confident	75.8	Confident	47 Å²	47	30.8 Å²	30.8	29%	0.288	16%	0.16	S	C	.	.	H	α-helix	trans	-58	-35.7	-179.3	-47.6	0	0	0	0	112.9	Q65 I68 I69 V543 M548 H549	Q65-T545 PolarHBondContact OE1-OG1 2.92Å; I68-T545 HydrophobicContact CG2-CG2 4.28Å; I69-T545 HydrophobicContact CD1-CG2 4.32Å; I69-T545 HydrophobicContact CG1-CG2 4.07Å; V543-T545 PolarHBondContact O-N 3.02Å; T545-M548 PolarHBondContact O-N 3Å; T545-H549 VanDerWaalsContact O-CB 3.29Å; T545-H549 WeakPolarHBondContact O-CB 3.47Å; T545-H549 PolarHBondContact O-N 3.22Å
546	N	75.8	Confident	75.7	Confident	111 Å²	111	27.7 Å²	27.7	59%	0.594	15%	0.149	S	C	*	.	H	α-helix	trans	-69.2	-45.8	-178.7	-67.8	-26.4	0	0	0	111.8	N544 M548 H549 H550	N544-N546 VanDerWaalsContact C-N 3.27Å; N544-N546 PolarHBondContact O-N 3.26Å; N544-N546 PolarHBondContact OD1-N 2.91Å; N544-N546 VanDerWaalsContact OD1-N 3.08Å; N546-M548 VanDerWaalsContact C-N 3.32Å; N546-H549 PolarHBondContact O-N 2.87Å; N546-H550 PolarHBondContact O-N 3.39Å; N546-H550 VanDerWaalsContact O-N 3.12Å
547	T	72.7	Confident	75.4	Confident	12 Å²	12	35.2 Å²	35.2	7%	0.074	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-42.3	175.1	-53.2	0	0	0	0	110.4	L459 N544 H549 H550 I551	L459-T547 HydrophobicContact CD2-CG2 4.48Å; N544-T547 PolarHBondContact ND2-OG1 3.43Å; N544-T547 PolarHBondContact O-N 3.35Å; T547-H549 PolarHBondContact O-N 3.45Å; T547-H550 PolarHBondContact O-N 3.38Å; T547-I551 HydrophobicContact CG2-CD1 3.77Å; T547-I551 WeakPolarHBondContact O-CB 3.46Å; T547-I551 VanDerWaalsContact O-CG1 3.28Å; T547-I551 WeakPolarHBondContact O-CG1 3.27Å; T547-I551 PolarHBondContact O-N 3.42Å
548	M	77.1	Confident	75.1	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-42.4	175.9	-74.1	-52	97.4	0	0	111.8	L62 Q65 I69 T540 C541 N544 T545 N546 H550 I551 L552	L62-M548 HydrophobicContact CD1-SD 4.27Å; Q65-M548 HydrophobicContact CB-CG 4.43Å; Q65-M548 HydrophobicContact CG-CG 4.01Å; I69-M548 HydrophobicContact CD1-CB 4.34Å; T540-M548 HydrophobicContact CG2-CE 3.61Å; T540-M548 HydrophobicContact CG2-SD 4.13Å; C541-M548 VanDerWaalsContact O-CE 3.24Å; C541-M548 WeakPolarHBondContact O-CE 3.14Å; N544-M548 WeakPolarHBondContact O-CG 3.41Å; N544-M548 PolarHBondContact O-N 3.12Å; T545-M548 PolarHBondContact O-N 3Å; N546-M548 VanDerWaalsContact C-N 3.32Å; M548-H550 PolarHBondContact O-N 3.48Å; M548-I551 HydrophobicContact CE-CD1 4.04Å; M548-I551 PolarHBondContact O-N 3.02Å; M548-L552 VanDerWaalsContact O-CB 3.28Å; M548-L552 WeakPolarHBondContact O-CB 3.23Å; M548-L552 VanDerWaalsContact O-CG 3.22Å; M548-L552 WeakPolarHBondContact O-CG 3.28Å; M548-L552 PolarHBondContact O-N 2.84Å
549	H	77.1	Confident	74.9	Confident	75 Å²	75	36.3 Å²	36.3	35%	0.347	18%	0.183	S	C	.	.	H	α-helix	trans	-59.2	-48.1	178	-170.4	72.9	0	0	0	111.7	I69 T545 N546 T547 I551 L552 Q553	I69-H549 HydrophobicContact CD1-CB 4.07Å; I69-H549 WeakPolarHBondContact CG2-ND1 3.48Å; T545-H549 VanDerWaalsContact O-CB 3.29Å; T545-H549 WeakPolarHBondContact O-CB 3.47Å; T545-H549 PolarHBondContact O-N 3.22Å; N546-H549 PolarHBondContact O-N 2.87Å; T547-H549 PolarHBondContact O-N 3.45Å; H549-I551 PolarHBondContact O-N 3.21Å; H549-L552 PolarHBondContact O-N 3.16Å; H549-Q553 PolarHBondContact CD2-NE2 2.96Å; H549-Q553 PolarHBondContact NE2-NE2 2.96Å; H549-Q553 WeakPolarHBondContact O-CB 3.42Å; H549-Q553 VanDerWaalsContact O-CG 3.31Å; H549-Q553 WeakPolarHBondContact O-CG 3.32Å; H549-Q553 PolarHBondContact O-N 3.36Å
550	H	74.3	Confident	74.5	Confident	47 Å²	47	37.9 Å²	37.9	22%	0.218	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-44.7	176.7	178.8	-105.2	0	0	0	112.3	L460 N546 T547 M548 Q553 G554	L460-H550 PolarHBondContact O-CE1 3.03Å; N546-H550 PolarHBondContact O-N 3.39Å; N546-H550 VanDerWaalsContact O-N 3.12Å; T547-H550 PolarHBondContact O-N 3.38Å; M548-H550 PolarHBondContact O-N 3.48Å; H550-Q553 PolarHBondContact O-N 3.49Å; H550-G554 PolarHBondContact O-N 3.36Å
551	I	75.4	Confident	74.1	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-43.1	-179.7	-71.5	171.2	0	0	0	111.2	F253 Y538 Y539 T540 T547 M548 H549 G554 C555	F253-I551 HydrophobicContact CD1-CG2 4.25Å; F253-I551 HydrophobicContact CE1-CG2 3.65Å; Y538-I551 HydrophobicContact CD1-CB 4.4Å; Y538-I551 HydrophobicContact CD1-CG1 4.18Å; Y538-I551 HydrophobicContact CD1-CG2 3.76Å; Y538-I551 HydrophobicContact CD2-CG2 4.35Å; Y538-I551 HydrophobicContact CE1-CG2 4.43Å; Y538-I551 HydrophobicContact CG-CG2 3.71Å; Y539-I551 WeakPolarHBondContact O-CD1 3.45Å; T540-I551 HydrophobicContact CG2-CD1 3.65Å; T540-I551 HydrophobicContact CG2-CG2 4.07Å; T547-I551 HydrophobicContact CG2-CD1 3.77Å; T547-I551 WeakPolarHBondContact O-CB 3.46Å; T547-I551 VanDerWaalsContact O-CG1 3.28Å; T547-I551 WeakPolarHBondContact O-CG1 3.27Å; T547-I551 PolarHBondContact O-N 3.42Å; M548-I551 HydrophobicContact CE-CD1 4.04Å; M548-I551 PolarHBondContact O-N 3.02Å; H549-I551 PolarHBondContact O-N 3.21Å; I551-G554 PolarHBondContact O-N 3.37Å; I551-C555 PolarHBondContact O-N 3.45Å; I551-C555 PolarHBondContact O-SG 3.05Å
552	L	76.3	Confident	73.9	Confident	12 Å²	12	42.8 Å²	42.8	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-38.9	177	-71.9	177.9	0	0	0	111.6	L62 M66 I69 M548 H549 G554 C555 Q556	L62-L552 HydrophobicContact CD1-CD2 4.3Å; M66-L552 HydrophobicContact CE-CD2 3.57Å; M66-L552 HydrophobicContact CG-CD1 3.93Å; M66-L552 HydrophobicContact CG-CD2 4.41Å; I69-L552 HydrophobicContact CD1-CD1 3.8Å; M548-L552 VanDerWaalsContact O-CB 3.28Å; M548-L552 WeakPolarHBondContact O-CB 3.23Å; M548-L552 VanDerWaalsContact O-CG 3.22Å; M548-L552 WeakPolarHBondContact O-CG 3.28Å; M548-L552 PolarHBondContact O-N 2.84Å; H549-L552 PolarHBondContact O-N 3.16Å; L552-G554 VanDerWaalsContact C-N 3.33Å; L552-G554 PolarHBondContact O-N 3.35Å; L552-C555 PolarHBondContact O-N 3.42Å; L552-Q556 WeakPolarHBondContact O-CB 3.25Å; L552-Q556 PolarHBondContact O-N 2.76Å
553	Q	75.4	Confident	74	Confident	70 Å²	70	44.5 Å²	44.5	33%	0.327	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-41.3	171.3	-75.8	-174	0.2	0	0	112	H549 H550 Q556 R557	H549-Q553 PolarHBondContact CD2-NE2 2.96Å; H549-Q553 PolarHBondContact NE2-NE2 2.96Å; H549-Q553 WeakPolarHBondContact O-CB 3.42Å; H549-Q553 VanDerWaalsContact O-CG 3.31Å; H549-Q553 WeakPolarHBondContact O-CG 3.32Å; H549-Q553 PolarHBondContact O-N 3.36Å; H550-Q553 PolarHBondContact O-N 3.49Å; Q553-Q556 PolarHBondContact O-N 3.2Å; Q553-R557 WeakPolarHBondContact O-CG 3.45Å; Q553-R557 PolarHBondContact O-N 3.27Å
554	G	72.6	Confident	74	Confident	24 Å²	24	45.5 Å²	45.5	25%	0.247	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-48.1	174.3	0	0	0	0	0	112.3	H550 I551 L552 Q556 R557 F558	H550-G554 PolarHBondContact O-N 3.36Å; I551-G554 PolarHBondContact O-N 3.37Å; L552-G554 VanDerWaalsContact C-N 3.33Å; L552-G554 PolarHBondContact O-N 3.35Å; G554-Q556 VanDerWaalsContact C-N 3.31Å; G554-Q556 PolarHBondContact O-N 2.74Å; G554-R557 PolarHBondContact O-N 3.05Å; G554-F558 PolarHBondContact O-N 3.32Å; G554-F558 VanDerWaalsContact O-N 3.13Å
555	C	74.6	Confident	73.8	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-42.5	174.9	-64.7	0	0	0	0	111.2	I251 Y538 I551 L552 F558 L559	I251-C555 HydrophobicContact CD1-CB 4.05Å; Y538-C555 WeakPolarHBondContact CE2-SG 3.41Å; I551-C555 PolarHBondContact O-N 3.45Å; I551-C555 PolarHBondContact O-SG 3.05Å; L552-C555 PolarHBondContact O-N 3.42Å; C555-F558 WeakPolarHBondContact O-CB 3.42Å; C555-F558 PolarHBondContact O-N 3.02Å; C555-L559 WeakPolarHBondContact O-CB 3.31Å; C555-L559 VanDerWaalsContact O-CG 3.22Å; C555-L559 WeakPolarHBondContact O-CG 3.22Å; C555-L559 PolarHBondContact O-N 3.32Å
556	Q	72.4	Confident	73.5	Confident	35 Å²	35	52.1 Å²	52.1	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-47.8	-179.3	-173	-164.1	-8.6	0	0	111.1	I203 L552 Q553 G554 F558 L559 I560	I203-Q556 HydrophobicContact CD1-CG 4.1Å; L552-Q556 WeakPolarHBondContact O-CB 3.25Å; L552-Q556 PolarHBondContact O-N 2.76Å; Q553-Q556 PolarHBondContact O-N 3.2Å; G554-Q556 VanDerWaalsContact C-N 3.31Å; G554-Q556 PolarHBondContact O-N 2.74Å; Q556-F558 VanDerWaalsContact C-N 3.28Å; Q556-F558 PolarHBondContact O-N 3.42Å; Q556-L559 PolarHBondContact O-N 3.08Å; Q556-I560 HydrophobicContact CG-CD1 3.76Å; Q556-I560 HydrophobicContact CG-CG1 4.47Å; Q556-I560 WeakPolarHBondContact O-CB 3.28Å; Q556-I560 WeakPolarHBondContact O-CD1 3.45Å; Q556-I560 VanDerWaalsContact O-CG1 3.23Å; Q556-I560 WeakPolarHBondContact O-CG1 3.45Å; Q556-I560 PolarHBondContact O-N 3.11Å
557	R	72.8	Confident	73.1	Confident	169 Å²	169	53.5 Å²	53.5	64%	0.638	24%	0.242	S	C	*	.	H	α-helix	trans	-58.7	-43.1	176.7	-72.7	177.7	-174.9	176.5	3.8	111.4	Q553 G554 H561	Q553-R557 WeakPolarHBondContact O-CG 3.45Å; Q553-R557 PolarHBondContact O-N 3.27Å; G554-R557 PolarHBondContact O-N 3.05Å; R557-H561 WeakPolarHBondContact O-CB 3.45Å; R557-H561 PolarHBondContact O-N 2.98Å
558	F	74.3	Confident	72.7	Confident	37 Å²	37	55.8 Å²	55.8	16%	0.162	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-49.6	176.6	171.9	-99.2	0	0	0	112.3	P249 I251 I534 L536 G554 C555 Q556 I560 H561 D562	P249-F558 HydrophobicContact CB-CE1 4.19Å; P249-F558 HydrophobicContact CB-CZ 4.42Å; I251-F558 HydrophobicContact CD1-CD1 4.45Å; I534-F558 HydrophobicContact CB-CZ 4.03Å; I534-F558 HydrophobicContact CD1-CZ 4.43Å; I534-F558 HydrophobicContact CG2-CE2 3.53Å; I534-F558 HydrophobicContact CG2-CZ 3.32Å; L536-F558 HydrophobicContact CD1-CB 3.76Å; L536-F558 HydrophobicContact CD1-CD1 3.5Å; L536-F558 HydrophobicContact CD1-CD2 3.56Å; L536-F558 HydrophobicContact CD1-CE1 3.98Å; L536-F558 HydrophobicContact CD1-CE2 4.02Å; L536-F558 HydrophobicContact CD1-CG 3.27Å; L536-F558 HydrophobicContact CD1-CZ 4.22Å; L536-F558 HydrophobicContact CG-CD1 4.44Å; L536-F558 HydrophobicContact CG-CD2 4.3Å; L536-F558 HydrophobicContact CG-CE1 4.46Å; L536-F558 HydrophobicContact CG-CE2 4.32Å; L536-F558 HydrophobicContact CG-CG 4.37Å; L536-F558 HydrophobicContact CG-CZ 4.41Å; G554-F558 PolarHBondContact O-N 3.32Å; G554-F558 VanDerWaalsContact O-N 3.13Å; C555-F558 WeakPolarHBondContact O-CB 3.42Å; C555-F558 PolarHBondContact O-N 3.02Å; Q556-F558 VanDerWaalsContact C-N 3.28Å; Q556-F558 PolarHBondContact O-N 3.42Å; F558-I560 VanDerWaalsContact C-N 3.32Å; F558-I560 PolarHBondContact O-N 3.24Å; F558-H561 PolarHBondContact O-N 2.69Å; F558-D562 HydrophobicContact CZ-CB 4.41Å; F558-D562 WeakPolarHBondContact O-CB 3.29Å; F558-D562 PolarHBondContact O-N 3.35Å
559	L	74.3	Confident	72.1	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-39.9	-179.7	-72.9	167.4	0	0	0	111.8	I47 L49 F213 I251 C555 Q556 H563	I47-L559 HydrophobicContact CD1-CB 4.49Å; L49-L559 HydrophobicContact CD1-CD1 4.26Å; L49-L559 HydrophobicContact CD2-CD1 3.77Å; L49-L559 HydrophobicContact CD2-CD2 4.16Å; F213-L559 HydrophobicContact CE1-CD1 4.29Å; I251-L559 HydrophobicContact CD1-CD1 4.33Å; I251-L559 HydrophobicContact CD1-CD2 4.26Å; I251-L559 HydrophobicContact CD1-CG 4.24Å; C555-L559 WeakPolarHBondContact O-CB 3.31Å; C555-L559 VanDerWaalsContact O-CG 3.22Å; C555-L559 WeakPolarHBondContact O-CG 3.22Å; C555-L559 PolarHBondContact O-N 3.32Å; Q556-L559 PolarHBondContact O-N 3.08Å; L559-H563 WeakPolarHBondContact O-CB 3.5Å; L559-H563 PolarHBondContact O-N 3.46Å
560	I	71.1	Confident	71.1	Confident	36 Å²	36	64.9 Å²	64.9	19%	0.185	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-46	174.9	-68.3	163.9	0	0	0	110	T205 Q556 F558 H563 L564	T205-I560 HydrophobicContact CG2-CD1 3.39Å; T205-I560 HydrophobicContact CG2-CG1 4.32Å; Q556-I560 HydrophobicContact CG-CD1 3.76Å; Q556-I560 HydrophobicContact CG-CG1 4.47Å; Q556-I560 WeakPolarHBondContact O-CB 3.28Å; Q556-I560 WeakPolarHBondContact O-CD1 3.45Å; Q556-I560 VanDerWaalsContact O-CG1 3.23Å; Q556-I560 WeakPolarHBondContact O-CG1 3.45Å; Q556-I560 PolarHBondContact O-N 3.11Å; F558-I560 VanDerWaalsContact C-N 3.32Å; F558-I560 PolarHBondContact O-N 3.24Å; I560-H563 PolarHBondContact O-N 3.11Å; I560-L564 HydrophobicContact CG2-CD1 3.71Å; I560-L564 HydrophobicContact CG2-CG 4.15Å; I560-L564 WeakPolarHBondContact O-CB 3.38Å; I560-L564 WeakPolarHBondContact O-CG 3.35Å; I560-L564 PolarHBondContact O-N 3.43Å
561	H	71.8	Confident	70.9	Confident	104 Å²	104	65.8 Å²	65.8	48%	0.481	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-51.5	179.5	-174.1	-74.2	0	0	0	111.8	R557 F558 H563 L564 E565	R557-H561 WeakPolarHBondContact O-CB 3.45Å; R557-H561 PolarHBondContact O-N 2.98Å; F558-H561 PolarHBondContact O-N 2.69Å; H561-H563 VanDerWaalsContact C-N 3.3Å; H561-H563 PolarHBondContact O-N 3.22Å; H561-L564 PolarHBondContact O-N 2.91Å; H561-E565 IonicContact CE1-OE2 2.76Å; H561-E565 IonicContact ND1-OE2 3.73Å; H561-E565 WeakPolarHBondContact O-CB 3.49Å; H561-E565 PolarHBondContact O-N 2.6Å
562	D	71.3	Confident	70.7	Confident	11 Å²	11	69.2 Å²	69.2	6%	0.059	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-37.9	177.3	168.9	78.6	0	0	0	111.7	F558 R566	F558-D562 HydrophobicContact CZ-CB 4.41Å; F558-D562 WeakPolarHBondContact O-CB 3.29Å; F558-D562 PolarHBondContact O-N 3.35Å; D562-R566 VanDerWaalsContact CG-NH2 3.29Å; D562-R566 WeakPolarHBondContact O-CB 3.26Å; D562-R566 WeakPolarHBondContact O-CG 3.48Å; D562-R566 PolarHBondContact O-N 2.79Å; D562-R566 IonicContact OD1-CZ 3.3Å; D562-R566 VanDerWaalsContact OD1-CZ 3.3Å; D562-R566 IonicContact OD1-NE 2.92Å; D562-R566 PolarHBondContact OD1-NE 2.77Å; D562-R566 IonicContact OD1-NH2 2.86Å; D562-R566 PolarHBondContact OD1-NH2 2.82Å; D562-R566 IonicContact OD2-CZ 2.97Å; D562-R566 IonicContact OD2-NE 2.89Å; D562-R566 PolarHBondContact OD2-NE 3.46Å; D562-R566 IonicContact OD2-NH1 3.84Å; D562-R566 IonicContact OD2-NH2 2.91Å; D562-R566 PolarHBondContact OD2-NH2 3.11Å
563	H	70.6	Confident	70.3	Confident	44 Å²	44	72.3 Å²	72.3	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-48.8	174.1	-173.8	90.6	0	0	0	111.5	L559 I560 H561 E565 R566 Y567	L559-H563 WeakPolarHBondContact O-CB 3.5Å; L559-H563 PolarHBondContact O-N 3.46Å; I560-H563 PolarHBondContact O-N 3.11Å; H561-H563 VanDerWaalsContact C-N 3.3Å; H561-H563 PolarHBondContact O-N 3.22Å; H563-E565 VanDerWaalsContact C-N 3.31Å; H563-E565 PolarHBondContact O-N 3.29Å; H563-R566 PolarHBondContact O-N 3.25Å; H563-Y567 AromaticContact CD2-CD2 3.9Å; H563-Y567 AromaticContact CE1-CD2 3.67Å; H563-Y567 AromaticContact CE1-CE2 3.25Å; H563-Y567 WeakPolarHBondContact CE1-CE2 3.27Å; H563-Y567 AromaticContact ND1-CD2 3.91Å; H563-Y567 AromaticContact ND1-CE2 3.57Å; H563-Y567 AromaticContact NE2-CD2 3.66Å; H563-Y567 AromaticContact NE2-CE2 3.7Å; H563-Y567 VanDerWaalsContact O-CD2 3.25Å; H563-Y567 WeakPolarHBondContact O-CD2 3.12Å; H563-Y567 PolarHBondContact O-N 3.07Å; H563-Y567 VanDerWaalsContact O-N 3.15Å
564	L	69.9	Low	70	Confident	42 Å²	42	72.5 Å²	72.5	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-39.4	178.9	-67.1	170.2	0	0	0	111.7	I560 H561 Y567 G568 L569 L570	I560-L564 HydrophobicContact CG2-CD1 3.71Å; I560-L564 HydrophobicContact CG2-CG 4.15Å; I560-L564 WeakPolarHBondContact O-CB 3.38Å; I560-L564 WeakPolarHBondContact O-CG 3.35Å; I560-L564 PolarHBondContact O-N 3.43Å; H561-L564 PolarHBondContact O-N 2.91Å; L564-Y567 PolarHBondContact O-N 3.26Å; L564-G568 PolarHBondContact O-N 3.15Å; L564-G568 VanDerWaalsContact O-N 3.15Å; L564-L569 HydrophobicContact CB-CB 4.24Å; L564-L569 HydrophobicContact CD2-CB 3.78Å; L564-L569 HydrophobicContact CD2-CD1 3.81Å; L564-L569 HydrophobicContact CD2-CG 4.47Å; L564-L569 PolarHBondContact O-N 2.96Å; L564-L570 HydrophobicContact CB-CD1 3.63Å; L564-L570 HydrophobicContact CB-CG 3.66Å; L564-L570 HydrophobicContact CD1-CD1 4.37Å; L564-L570 HydrophobicContact CD1-CD2 4.45Å; L564-L570 HydrophobicContact CD1-CG 4.3Å
565	E	73.4	Confident	69.9	Low	114 Å²	114	75.5 Å²	75.5	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-45.8	176.2	-172.8	177	-178.2	0	0	111.6	H561 H563 Y567 G568 L570	H561-E565 IonicContact CE1-OE2 2.76Å; H561-E565 IonicContact ND1-OE2 3.73Å; H561-E565 WeakPolarHBondContact O-CB 3.49Å; H561-E565 PolarHBondContact O-N 2.6Å; H563-E565 VanDerWaalsContact C-N 3.31Å; H563-E565 PolarHBondContact O-N 3.29Å; E565-Y567 VanDerWaalsContact C-N 3.27Å; E565-Y567 PolarHBondContact O-N 3.09Å; E565-G568 PolarHBondContact O-N 2.73Å; E565-G568 VanDerWaalsContact O-N 3.11Å; E565-L570 HydrophobicContact CB-CD1 4.41Å
566	R	69.3	Low	69.6	Low	125 Å²	125	80.1 Å²	80.1	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-32.7	177.9	-76.5	172.9	-164	-153.2	0.5	114	K247 P249 D562 H563	K247-R566 PolarHBondContact O-NH1 3Å; K247-R566 PolarHBondContact O-NH2 3.37Å; P249-R566 VanDerWaalsContact CD-NH2 3.25Å; D562-R566 VanDerWaalsContact CG-NH2 3.29Å; D562-R566 WeakPolarHBondContact O-CB 3.26Å; D562-R566 WeakPolarHBondContact O-CG 3.48Å; D562-R566 PolarHBondContact O-N 2.79Å; D562-R566 IonicContact OD1-CZ 3.3Å; D562-R566 VanDerWaalsContact OD1-CZ 3.3Å; D562-R566 IonicContact OD1-NE 2.92Å; D562-R566 PolarHBondContact OD1-NE 2.77Å; D562-R566 IonicContact OD1-NH2 2.86Å; D562-R566 PolarHBondContact OD1-NH2 2.82Å; D562-R566 IonicContact OD2-CZ 2.97Å; D562-R566 IonicContact OD2-NE 2.89Å; D562-R566 PolarHBondContact OD2-NE 3.46Å; D562-R566 IonicContact OD2-NH1 3.84Å; D562-R566 IonicContact OD2-NH2 2.91Å; D562-R566 PolarHBondContact OD2-NH2 3.11Å; H563-R566 PolarHBondContact O-N 3.25Å
567	Y	69.1	Low	69.4	Low	139 Å²	139	83.4 Å²	83.4	55%	0.545	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	6.8	179.2	-72.9	-76.3	0	0	0	113.2	H563 L564 E565 L569	H563-Y567 AromaticContact CD2-CD2 3.9Å; H563-Y567 AromaticContact CE1-CD2 3.67Å; H563-Y567 AromaticContact CE1-CE2 3.25Å; H563-Y567 WeakPolarHBondContact CE1-CE2 3.27Å; H563-Y567 AromaticContact ND1-CD2 3.91Å; H563-Y567 AromaticContact ND1-CE2 3.57Å; H563-Y567 AromaticContact NE2-CD2 3.66Å; H563-Y567 AromaticContact NE2-CE2 3.7Å; H563-Y567 VanDerWaalsContact O-CD2 3.25Å; H563-Y567 WeakPolarHBondContact O-CD2 3.12Å; H563-Y567 PolarHBondContact O-N 3.07Å; H563-Y567 VanDerWaalsContact O-N 3.15Å; L564-Y567 PolarHBondContact O-N 3.26Å; E565-Y567 VanDerWaalsContact C-N 3.27Å; E565-Y567 PolarHBondContact O-N 3.09Å; Y567-L569 VanDerWaalsContact C-N 3.26Å; Y567-L569 PolarHBondContact O-N 2.74Å
568	G	64.3	Low	69.1	Low	61 Å²	61	76.8 Å²	76.8	63%	0.629	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	30.4	178	0	0	0	0	0	113.5	L564 E565	L564-G568 PolarHBondContact O-N 3.15Å; L564-G568 VanDerWaalsContact O-N 3.15Å; E565-G568 PolarHBondContact O-N 2.73Å; E565-G568 VanDerWaalsContact O-N 3.11Å
569	L	63.1	Low	68.7	Low	119 Å²	119	80.1 Å²	80.1	62%	0.623	40%	0.402	S	S	*	.			trans	-93.5	1.8	177.7	-63.6	172.9	0	0	0	112.6	L564 Y567	L564-L569 HydrophobicContact CB-CB 4.24Å; L564-L569 HydrophobicContact CD2-CB 3.78Å; L564-L569 HydrophobicContact CD2-CD1 3.81Å; L564-L569 HydrophobicContact CD2-CG 4.47Å; L564-L569 PolarHBondContact O-N 2.96Å; Y567-L569 VanDerWaalsContact C-N 3.26Å; Y567-L569 PolarHBondContact O-N 2.74Å
570	L	55.9	Low	68.2	Low	149 Å²	149	85.8 Å²	85.8	78%	0.78	43%	0.43	S	S	*	.			trans	-117.6	0	175.8	-80.1	171.7	0	0	0	112	L564 E565	L564-L570 HydrophobicContact CB-CD1 3.63Å; L564-L570 HydrophobicContact CB-CG 3.66Å; L564-L570 HydrophobicContact CD1-CD1 4.37Å; L564-L570 HydrophobicContact CD1-CD2 4.45Å; L564-L570 HydrophobicContact CD1-CG 4.3Å; E565-L570 HydrophobicContact CB-CD1 4.41Å

Retrieved 570 of 570 residues in 897.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).