A0A077ZMJ2_TRITR Loading...

Smith Magenis syndrome chromosomal region

AlphaFold DB , UniProt , Accession A0A077ZMJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 607 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	26	Very low	250 Å²	250	163.7 Å²	163.7	100%	1.232	86%	0.858	S	S	*	*				0	80.4	0	-86.4	-178.8	159	0	0	108.6
2	Q	27.5	Very low	25.8	Very low	206 Å²	206	161.3 Å²	161.3	96%	0.963	84%	0.844	S	S	*	*			trans	-100.1	106.3	171.8	-83.7	173.1	-24.5	0	0	106.7
3	R	28.9	Very low	25.6	Very low	248 Å²	248	159.3 Å²	159.3	94%	0.936	83%	0.833	S	S	*	*			trans	-105.5	117.7	168.5	-116	-178.8	-177.6	164.4	0.3	107.6
4	A	24.4	Very low	25.7	Very low	84 Å²	84	153.7 Å²	153.7	69%	0.694	82%	0.822	S	S	*	*			trans	-55.5	134.5	169.1	0	0	0	0	0	111.3
5	Q	28.3	Very low	25.5	Very low	203 Å²	203	153.7 Å²	153.7	95%	0.949	82%	0.821	S	S	*	*			trans	-127.6	91.6	149.1	-86.6	-173.4	-21.1	0	0	107.4
6	T	24.2	Very low	25.7	Very low	123 Å²	123	149 Å²	149	76%	0.755	80%	0.801	S	S	*	*			trans	-91.7	143.9	164.7	41.2	0	0	0	0	109.6
7	S	24.6	Very low	26	Very low	120 Å²	120	146.2 Å²	146.2	84%	0.839	79%	0.786	S	S	*	*			trans	76.8	128.3	157	125.2	0	0	0	0	115.7
8	A	24.2	Very low	26.5	Very low	82 Å²	82	143.9 Å²	143.9	68%	0.678	78%	0.777	S	S	*	*			cis	-147.3	124.9	31.7	0	0	0	0	0	111.5	K10	A8-K10 PolarHBondContact O-N 3.12Å
9	V	22.9	Very low	26.8	Very low	135 Å²	135	142.2 Å²	142.2	82%	0.818	77%	0.768	S	S	*	*			trans	-67.5	109.9	155.7	177	0	0	0	0	105.4	E11	V9-E11 PolarHBondContact O-N 3.23Å
10	K	24.8	Very low	27.1	Very low	193 Å²	193	140.9 Å²	140.9	84%	0.839	76%	0.76	S	S	*	*			trans	-70.4	87.8	168.9	-82.8	178.6	174.9	175	0	107.4	A8 I12	A8-K10 PolarHBondContact O-N 3.12Å; K10-I12 PolarHBondContact O-N 3.14Å; K10-I12 VanDerWaalsContact O-N 3.11Å
11	E	23.3	Very low	27.4	Very low	157 Å²	157	139.9 Å²	139.9	73%	0.734	75%	0.754	S	S	*	*			trans	-60.2	109.8	160.5	-82.6	-177.1	155.3	0	0	108	V9 L13	V9-E11 PolarHBondContact O-N 3.23Å; E11-L13 PolarHBondContact O-N 3.5Å
12	I	23.6	Very low	27.5	Very low	135 Å²	135	134.9 Å²	134.9	69%	0.692	73%	0.732	S	S	*	*			trans	-75.6	86.5	167.1	-60.9	175.1	0	0	0	106.3	K10 A14	K10-I12 PolarHBondContact O-N 3.14Å; K10-I12 VanDerWaalsContact O-N 3.11Å; I12-A14 PolarHBondContact O-N 2.93Å
13	L	23	Very low	28.1	Very low	135 Å²	135	129.6 Å²	129.6	71%	0.707	71%	0.714	S	S	*	*			trans	-75.9	103.6	165.7	-99.7	148.1	0	0	0	108.5	E11 L15	E11-L13 PolarHBondContact O-N 3.5Å; L13-L15 HydrophobicContact CD2-CD1 4.4Å
14	A	26.3	Very low	28.1	Very low	81 Å²	81	121.4 Å²	121.4	67%	0.669	71%	0.706	S	S	*	*			trans	-130.2	88.5	164.3	0	0	0	0	0	108.5	I12 P16	I12-A14 PolarHBondContact O-N 2.93Å; A14-P16 WeakPolarHBondContact O-CD 3.34Å
15	L	23.3	Very low	28.5	Very low	154 Å²	154	123.9 Å²	123.9	81%	0.806	71%	0.707	S	S	*	*			trans	-94.5	111.5	164.4	-95.9	152	0	0	0	107.6	L13	L13-L15 HydrophobicContact CD2-CD1 4.4Å
16	P	27.8	Very low	28.5	Very low	78 Å²	78	122.9 Å²	122.9	51%	0.506	70%	0.702	S	S	.	*			trans	-87.1	146.3	164.4	12	6.3	0	0	0	110.5	A14 V18	A14-P16 WeakPolarHBondContact O-CD 3.34Å; P16-V18 PolarHBondContact O-N 3.32Å
17	D	32.1	Very low	28.8	Very low	102 Å²	102	121.8 Å²	121.8	55%	0.545	70%	0.7	S	S	.	*			trans	-47.6	125.6	-179.8	-163.3	-10.1	0	0	0	113.4	N19 N20	D17-N19 PolarHBondContact O-N 3.28Å; D17-N20 PolarHBondContact O-N 2.87Å
18	V	33.5	Very low	29.1	Very low	104 Å²	104	121.6 Å²	121.6	63%	0.63	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-56.6	-24.2	-176.8	175.7	0	0	0	0	112.2	P16 N20 L21	P16-V18 PolarHBondContact O-N 3.32Å; V18-N20 VanDerWaalsContact C-N 3.29Å; V18-N20 PolarHBondContact O-N 3.31Å; V18-L21 PolarHBondContact O-N 3.12Å
19	N	33.7	Very low	29.6	Very low	112 Å²	112	122.8 Å²	122.8	60%	0.599	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-67.6	-24.6	176.4	-76.2	-34.9	0	0	0	114	D17	D17-N19 PolarHBondContact O-N 3.28Å
20	N	33	Very low	30.4	Very low	115 Å²	115	117.5 Å²	117.5	62%	0.615	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-80.9	-16.2	176.4	-72.3	-28.9	0	0	0	113.1	D17 V18 T23	D17-N20 PolarHBondContact O-N 2.87Å; V18-N20 VanDerWaalsContact C-N 3.29Å; V18-N20 PolarHBondContact O-N 3.31Å; N20-T23 PolarHBondContact O-OG1 3.39Å
21	L	33.2	Very low	31.1	Very low	120 Å²	120	113.2 Å²	113.2	63%	0.628	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-23.9	178.9	-119.1	122.1	0	0	0	112.9	V18	V18-L21 PolarHBondContact O-N 3.12Å
22	L	35.2	Very low	32.1	Very low	146 Å²	146	115.5 Å²	115.5	76%	0.764	65%	0.651	S	S	*	*	S	Bend	trans	-88.3	-13.3	-176.9	-69.1	170.2	0	0	0	113.7
23	T	39.1	Very low	33.1	Very low	95 Å²	95	117.2 Å²	117.2	58%	0.583	66%	0.656	S	S	*	*	S	Bend	trans	-96.3	8.4	-174.2	51.2	0	0	0	0	114.7	N20 L25	N20-T23 PolarHBondContact O-OG1 3.39Å; T23-L25 VanDerWaalsContact C-N 3.32Å; T23-L25 PolarHBondContact O-N 3Å
24	G	29.9	Very low	34.4	Very low	76 Å²	76	120.2 Å²	120.2	78%	0.784	66%	0.658	S	S	*	*			trans	71.2	11.8	160.6	0	0	0	0	0	117.3
25	L	32	Very low	36.1	Very low	135 Å²	135	122 Å²	122	71%	0.707	66%	0.656	S	S	*	*			trans	-102.7	-6.6	-170.4	-99	156.2	0	0	0	117	T23	T23-L25 VanDerWaalsContact C-N 3.32Å; T23-L25 PolarHBondContact O-N 3Å
26	Q	28.4	Very low	38.8	Very low	182 Å²	182	116 Å²	116	85%	0.85	63%	0.627	S	S	*	*	S	Bend	trans	-144.3	142.9	171.8	-68.6	-168.7	-12.4	0	0	111.8
27	S	30.4	Very low	41.5	Very low	101 Å²	101	112.9 Å²	112.9	71%	0.706	61%	0.607	S	S	*	*			trans	-52	143.5	-175.4	64.9	0	0	0	0	112.2	L29	S27-L29 PolarHBondContact O-N 2.99Å
28	P	31.5	Very low	44.2	Very low	115 Å²	115	108.4 Å²	108.4	75%	0.747	58%	0.583	S	S	*	*			trans	-61.9	112.1	-172.3	25.6	-32.8	0	0	0	110.8	D30	P28-D30 PolarHBondContact O-N 3.48Å
29	L	34.1	Very low	46.5	Very low	108 Å²	108	107.1 Å²	107.1	57%	0.565	58%	0.579	S	S	*	*			trans	-73.2	116.6	164.8	-80.7	156.7	0	0	0	107.5	S27 L35	S27-L29 PolarHBondContact O-N 2.99Å; L29-L35 HydrophobicContact CD2-CD2 3.83Å
30	D	40.6	Very low	49	Very low	24 Å²	24	106 Å²	106	13%	0.128	57%	0.57	C	S	.	*			trans	-81.2	129	-174.1	-174.4	-58.4	0	0	0	111.5	P28 W32 R34	P28-D30 PolarHBondContact O-N 3.48Å; D30-W32 VanDerWaalsContact C-N 3.33Å; D30-W32 PolarHBondContact O-N 2.88Å; D30-W32 WeakPolarHBondContact OD1-CA 3.4Å; D30-W32 WeakPolarHBondContact OD1-CB 3.37Å; D30-W32 PolarHBondContact OD1-N 3.32Å; D30-R34 HydrophobicContact CB-CB 3.62Å; D30-R34 HydrophobicContact CB-CG 3.62Å; D30-R34 VanDerWaalsContact CG-CD 3.45Å; D30-R34 WeakPolarHBondContact OD2-CD 3.44Å; D30-R34 VanDerWaalsContact OD2-CG 3.29Å; D30-R34 WeakPolarHBondContact OD2-CG 3.33Å; D30-R34 IonicContact OD2-CZ 3.66Å; D30-R34 IonicContact OD2-NE 3.79Å; D30-R34 PolarHBondContact OD2-NE 2.91Å; D30-R34 IonicContact OD2-NH1 3.88Å; D30-R34 PolarHBondContact OD2-NH1 3.47Å; D30-R34 IonicContact OD2-NH2 2.66Å; D30-R34 PolarHBondContact OD2-NH2 3.1Å
31	P	38.8	Very low	51.8	Low	103 Å²	103	101 Å²	101	67%	0.669	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-2.2	-176.9	30.4	-33.1	0	0	0	115.6
32	W	45	Very low	54.7	Low	204 Å²	204	95.3 Å²	95.3	77%	0.773	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	35.1	-175.7	-57	-76.5	0	0	0	113.9	D30	D30-W32 VanDerWaalsContact C-N 3.33Å; D30-W32 PolarHBondContact O-N 2.88Å; D30-W32 WeakPolarHBondContact OD1-CA 3.4Å; D30-W32 WeakPolarHBondContact OD1-CB 3.37Å; D30-W32 PolarHBondContact OD1-N 3.32Å
33	H	44.7	Very low	57.7	Low	171 Å²	171	88.5 Å²	88.5	79%	0.792	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	36.2	-178.8	-55.4	-91.4	0	0	0	116.1	L35	H33-L35 PolarHBondContact O-N 3.28Å
34	R	50.1	Low	60.4	Low	198 Å²	198	84 Å²	84	75%	0.747	45%	0.45	S	S	*	.			trans	-78.3	9.6	161.4	-56.3	-173.7	-178.3	150.9	8.5	114.1	D30 S36	D30-R34 HydrophobicContact CB-CB 3.62Å; D30-R34 HydrophobicContact CB-CG 3.62Å; D30-R34 VanDerWaalsContact CG-CD 3.45Å; D30-R34 WeakPolarHBondContact OD2-CD 3.44Å; D30-R34 VanDerWaalsContact OD2-CG 3.29Å; D30-R34 WeakPolarHBondContact OD2-CG 3.33Å; D30-R34 IonicContact OD2-CZ 3.66Å; D30-R34 IonicContact OD2-NE 3.79Å; D30-R34 PolarHBondContact OD2-NE 2.91Å; D30-R34 IonicContact OD2-NH1 3.88Å; D30-R34 PolarHBondContact OD2-NH1 3.47Å; D30-R34 IonicContact OD2-NH2 2.66Å; D30-R34 PolarHBondContact OD2-NH2 3.1Å; R34-S36 PolarHBondContact O-N 3.32Å; R34-S36 VanDerWaalsContact O-N 3.11Å
35	L	61.6	Low	63.6	Low	120 Å²	120	80.4 Å²	80.4	63%	0.628	41%	0.413	S	S	*	.			trans	-76.9	98.4	171.3	-71.1	170.2	0	0	0	108.3	L29 H33	L29-L35 HydrophobicContact CD2-CD2 3.83Å; H33-L35 PolarHBondContact O-N 3.28Å
36	S	80.8	Confident	66.6	Low	28 Å²	28	74 Å²	74	20%	0.196	38%	0.379	C	S	.	.			trans	-74.1	140.2	170.1	-165	0	0	0	0	109.7	R34 I38 G118 V119	R34-S36 PolarHBondContact O-N 3.32Å; R34-S36 VanDerWaalsContact O-N 3.11Å; S36-I38 PolarHBondContact O-N 3.28Å; S36-I38 WeakPolarHBondContact OG-CG1 3.48Å; S36-G118 WeakPolarHBondContact CB-O 3.49Å; S36-G118 PolarHBondContact OG-O 3.44Å; S36-V119 VanDerWaalsContact OG-CG1 3.32Å; S36-V119 WeakPolarHBondContact OG-CG1 3.45Å
37	A	84.8	Confident	69.7	Low	12 Å²	12	65.3 Å²	65.3	10%	0.099	34%	0.339	C	S	.	.	S	Bend	trans	-67.2	-17.8	176.5	0	0	0	0	0	112.9	H67 F68 Q117	A37-H67 HydrophobicContact CB-CB 4.36Å; A37-F68 HydrophobicContact CB-CB 4.29Å; A37-F68 HydrophobicContact CB-CD2 4.36Å; A37-F68 PolarHBondContact O-N 3.1Å; A37-Q117 HydrophobicContact CB-CB 3.91Å; A37-Q117 VanDerWaalsContact CB-O 3.29Å; A37-Q117 WeakPolarHBondContact CB-O 3.31Å; A37-Q117 PolarHBondContact N-O 3.25Å
38	I	87.3	Confident	72.5	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.036	32%	0.323	C	S	.	.			trans	-102.5	141.1	177.5	62.6	172.4	0	0	0	111.8	S36 P64 F68 V119 I145	S36-I38 PolarHBondContact O-N 3.28Å; S36-I38 WeakPolarHBondContact OG-CG1 3.48Å; I38-P64 HydrophobicContact CB-CB 4.42Å; I38-P64 HydrophobicContact CG2-CB 3.97Å; I38-P64 HydrophobicContact CG2-CG 4.07Å; I38-F68 HydrophobicContact CG2-CB 3.81Å; I38-F68 HydrophobicContact CG2-CD1 4.45Å; I38-F68 HydrophobicContact CG2-CD2 3.4Å; I38-F68 HydrophobicContact CG2-CE2 4.08Å; I38-F68 HydrophobicContact CG2-CG 3.63Å; I38-V119 HydrophobicContact CD1-CG1 3.81Å; I38-V119 HydrophobicContact CG1-CG1 3.71Å; I38-V119 HydrophobicContact CG2-CG1 4.36Å; I38-I145 HydrophobicContact CD1-CG2 4Å
39	S	82.8	Confident	74.9	Confident	78 Å²	78	59 Å²	59	55%	0.545	29%	0.287	S	S	.	.	S	Bend	trans	-87.3	-32.9	166.8	43.4	0	0	0	0	111.6	P64	S39-P64 PolarHBondContact N-O 3.04Å; S39-P64 PolarHBondContact OG-O 3.35Å
40	E	85.7	Confident	77	Confident	88 Å²	88	58.6 Å²	58.6	41%	0.411	28%	0.283	S	S	.	.	S	Bend	trans	-127.8	144.5	-174.2	-55.8	-163.7	162.1	0	0	110	P64 Y313	E40-P64 PolarHBondContact N-O 2.95Å; E40-P64 VanDerWaalsContact N-O 3.15Å; E40-Y313 HydrophobicContact CB-CE2 3.9Å; E40-Y313 VanDerWaalsContact CG-OH 3.25Å; E40-Y313 WeakPolarHBondContact CG-OH 3.29Å
41	D	91.7	Very high	78.7	Confident	11 Å²	11	61.1 Å²	61.1	6%	0.059	30%	0.302	C	S	.	.			trans	-59.7	151.9	171.9	-72.2	7.9	0	0	0	110.9	Y144 I145 S146 K151 L309 Y313	D41-Y144 HydrophobicContact CB-CE1 4.15Å; D41-Y144 PolarHBondContact OD2-OH 3.42Å; D41-I145 VanDerWaalsContact CA-O 3.31Å; D41-I145 WeakPolarHBondContact CA-O 2.93Å; D41-I145 WeakPolarHBondContact CB-O 3.41Å; D41-S146 WeakPolarHBondContact OD1-CA 3.36Å; D41-S146 WeakPolarHBondContact OD1-CB 3.39Å; D41-S146 PolarHBondContact OD1-OG 3.25Å; D41-S146 WeakPolarHBondContact OD2-CB 3.46Å; D41-S146 PolarHBondContact OD2-OG 3.14Å; D41-K151 VanDerWaalsContact OD2-CE 3.3Å; D41-K151 WeakPolarHBondContact OD2-CE 3.46Å; D41-K151 IonicContact OD2-NZ 2.77Å; D41-K151 PolarHBondContact OD2-NZ 2.89Å; D41-L309 HydrophobicContact CB-CD1 4.2Å; D41-Y313 HydrophobicContact CB-CD2 4.17Å; D41-Y313 HydrophobicContact CB-CE2 4.34Å
42	C	95.1	Very high	80.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.3	-178.7	70.3	0	0	0	0	113.8	V60 P64 I145	C42-V60 CarbonylContact C-O 3.3Å; C42-V60 WeakPolarHBondContact CA-O 3.49Å; C42-V60 VanDerWaalsContact CB-O 3.29Å; C42-V60 WeakPolarHBondContact CB-O 3.33Å; C42-P64 HydrophobicContact CB-CB 3.58Å; C42-P64 HydrophobicContact CB-CG 4.17Å; C42-I145 PolarHBondContact N-O 3.4Å; C42-I145 PolarHBondContact O-N 3.07Å
43	I	97.1	Very high	82.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.7	169.2	-63.5	177.6	0	0	0	108.2	C59 V60 L142 S143 Y144 F163 C305 I308 L309	I43-C59 WeakPolarHBondContact O-CA 3.09Å; I43-V60 PolarHBondContact N-O 2.63Å; I43-V60 PolarHBondContact O-N 3.06Å; I43-L142 HydrophobicContact CG2-CD1 3.68Å; I43-L142 HydrophobicContact CG2-CG 4.33Å; I43-S143 CarbonylContact C-O 3.56Å; I43-S143 VanDerWaalsContact CA-O 3.29Å; I43-S143 WeakPolarHBondContact CA-O 3.46Å; I43-Y144 HydrophobicContact CD1-CD2 4.17Å; I43-Y144 HydrophobicContact CG1-CD2 3.76Å; I43-Y144 HydrophobicContact CG1-CE2 4.34Å; I43-F163 HydrophobicContact CD1-CE1 4.12Å; I43-F163 HydrophobicContact CD1-CZ 4.38Å; I43-F163 HydrophobicContact CG1-CZ 4.43Å; I43-F163 HydrophobicContact CG2-CZ 4.43Å; I43-C305 HydrophobicContact CD1-CB 4.41Å; I43-C305 WeakPolarHBondContact CD1-O 3.47Å; I43-I308 HydrophobicContact CD1-CB 4.24Å; I43-I308 HydrophobicContact CD1-CG2 3.99Å; I43-L309 HydrophobicContact CD1-CB 4.14Å; I43-L309 HydrophobicContact CG1-CB 4.48Å; I43-L309 HydrophobicContact CG1-CD1 4.39Å
44	L	96.9	Very high	85.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.9	178	-173.2	72.3	0	0	0	109.4	V46 P56 L58 C59 P70 F73 S143 I145	L44-V46 HydrophobicContact CD2-CG2 3.69Å; L44-V46 HydrophobicContact CG-CG2 3.85Å; L44-P56 HydrophobicContact CD1-CB 4.17Å; L44-L58 WeakPolarHBondContact CA-O 3.39Å; L44-C59 HydrophobicContact CD1-CB 3.76Å; L44-P70 HydrophobicContact CD1-CB 4.31Å; L44-F73 HydrophobicContact CD2-CD1 3.51Å; L44-F73 HydrophobicContact CD2-CE1 4.11Å; L44-F73 HydrophobicContact CD2-CG 4.45Å; L44-S143 PolarHBondContact N-O 2.94Å; L44-S143 PolarHBondContact O-N 3.06Å; L44-I145 HydrophobicContact CB-CD1 3.93Å; L44-I145 HydrophobicContact CD2-CD1 4.2Å
45	L	96.5	Very high	87.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.8	166	-178.6	72.6	0	0	0	108.5	A57 L58 F126 F140 C141 L142 L290 F301	L45-A57 HydrophobicContact CD2-CB 3.97Å; L45-A57 HydrophobicContact CG-CB 4.14Å; L45-A57 PolarHBondContact O-N 3.24Å; L45-L58 HydrophobicContact CB-CB 3.99Å; L45-L58 HydrophobicContact CD2-CB 4.45Å; L45-L58 PolarHBondContact N-O 3.24Å; L45-L58 PolarHBondContact O-N 3.21Å; L45-F126 HydrophobicContact CD1-CE1 3.89Å; L45-F126 HydrophobicContact CD1-CZ 3.74Å; L45-F140 HydrophobicContact CD1-CD1 4.3Å; L45-F140 HydrophobicContact CG-CD1 4.44Å; L45-C141 WeakPolarHBondContact CA-O 3.44Å; L45-L142 HydrophobicContact CB-CD1 4.2Å; L45-L142 HydrophobicContact CD1-CB 4.43Å; L45-L142 HydrophobicContact CD1-CD1 4.05Å; L45-L290 HydrophobicContact CD2-CD1 4.42Å; L45-L290 HydrophobicContact CD2-CD2 3.39Å; L45-L290 HydrophobicContact CD2-CG 4.44Å; L45-F301 HydrophobicContact CD1-CZ 4.45Å; L45-F301 HydrophobicContact CD2-CE1 4.11Å; L45-F301 HydrophobicContact CD2-CZ 4.1Å
46	V	95.4	Very high	88.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.8	176.6	179.6	0	0	0	0	108.9	L44 P54 R55 A74 L77 M78 F140 C141	L44-V46 HydrophobicContact CD2-CG2 3.69Å; L44-V46 HydrophobicContact CG-CG2 3.85Å; V46-P54 HydrophobicContact CG1-CB 4.49Å; V46-R55 WeakPolarHBondContact CA-O 3.48Å; V46-R55 WeakPolarHBondContact CG1-O 3.2Å; V46-A74 HydrophobicContact CB-CB 4.36Å; V46-A74 HydrophobicContact CG1-CB 3.6Å; V46-A74 HydrophobicContact CG2-CB 3.81Å; V46-L77 HydrophobicContact CG2-CD2 4.01Å; V46-M78 HydrophobicContact CB-CG 4.5Å; V46-M78 HydrophobicContact CG1-CG 3.57Å; V46-M78 HydrophobicContact CG1-SD 4.3Å; V46-F140 CarbonylContact O-C 3.57Å; V46-F140 VanDerWaalsContact O-CA 3.29Å; V46-F140 WeakPolarHBondContact O-CA 3.47Å; V46-C141 PolarHBondContact N-O 3.48Å; V46-C141 PolarHBondContact O-N 2.74Å
47	E	92.4	Very high	89.3	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.3	174.6	67.3	-178.2	178.9	0	0	110.8	P54 R55 A57 R138 F140 L287	E47-P54 WeakPolarHBondContact O-CA 3.48Å; E47-R55 HydrophobicContact CG-CG 3.64Å; E47-R55 PolarHBondContact N-O 2.97Å; E47-R55 PolarHBondContact O-N 3.29Å; E47-R55 IonicContact OE1-CZ 3.91Å; E47-R55 IonicContact OE1-NE 2.63Å; E47-R55 IonicContact OE1-NH1 2.93Å; E47-R55 PolarHBondContact OE1-NH1 3.13Å; E47-A57 HydrophobicContact CB-CB 4.3Å; E47-A57 HydrophobicContact CG-CB 4.08Å; E47-R138 IonicContact OE1-NH2 2.67Å; E47-R138 IonicContact OE2-CZ 3.23Å; E47-R138 IonicContact OE2-NE 3.92Å; E47-R138 IonicContact OE2-NH2 2.63Å; E47-R138 PolarHBondContact OE2-NH2 3.31Å; E47-F140 HydrophobicContact CB-CD1 3.62Å; E47-F140 HydrophobicContact CB-CE1 3.37Å; E47-F140 HydrophobicContact CB-CG 4.46Å; E47-F140 HydrophobicContact CB-CZ 4.01Å; E47-L287 VanDerWaalsContact OE1-CD2 3.23Å; E47-L287 WeakPolarHBondContact OE1-CD2 3.33Å
48	F	89.3	Confident	89.8	Confident	83 Å²	83	37.2 Å²	37.2	36%	0.364	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	110.8	166.9	-167.4	-88.4	0	0	0	110.1	P54 M78 P139	F48-P54 HydrophobicContact CD2-CG 3.99Å; F48-P54 HydrophobicContact CE2-CG 4.16Å; F48-M78 HydrophobicContact CB-CE 3.84Å; F48-M78 HydrophobicContact CD2-CE 4.47Å; F48-P139 HydrophobicContact CB-CB 4.17Å; F48-P139 HydrophobicContact CB-CG 4.28Å; F48-P139 PolarHBondContact N-O 2.79Å
49	S	82.4	Confident	90.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.1	170	172.1	0	0	0	0	109.7	S51 E52 G53 L287	S49-S51 PolarHBondContact O-N 2.94Å; S49-S51 PolarHBondContact OG-N 2.9Å; S49-S51 PolarHBondContact OG-OG 3.24Å; S49-E52 PolarHBondContact OG-N 2.97Å; S49-G53 VanDerWaalsContact CB-O 3.32Å; S49-G53 WeakPolarHBondContact CB-O 3.42Å; S49-G53 PolarHBondContact N-O 3.17Å; S49-G53 WeakPolarHBondContact O-CA 3.37Å; S49-G53 PolarHBondContact O-N 3.15Å; S49-L287 WeakPolarHBondContact OG-CD1 3.48Å
50	E	77.7	Confident	90.6	Very high	100 Å²	100	34.7 Å²	34.7	47%	0.467	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.4	176.4	-70.7	-168.6	164.4	0	0	113.2	R134 R285	E50-R134 WeakPolarHBondContact OE1-CA 3.28Å; E50-R134 WeakPolarHBondContact OE1-CB 3.41Å; E50-R134 PolarHBondContact OE1-N 2.65Å; E50-R285 IonicContact OE2-NH1 3.21Å
51	S	77.1	Confident	90.9	Very high	77 Å²	77	32.3 Å²	32.3	54%	0.538	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-29.1	-176.5	54.8	0	0	0	0	113.7	S49	S49-S51 PolarHBondContact O-N 2.94Å; S49-S51 PolarHBondContact OG-N 2.9Å; S49-S51 PolarHBondContact OG-OG 3.24Å
52	E	82.5	Confident	90.8	Very high	131 Å²	131	40.3 Å²	40.3	61%	0.612	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-19.7	-171.2	-65.6	173.1	175.5	0	0	112.8	S49 R55	S49-E52 PolarHBondContact OG-N 2.97Å; E52-R55 WeakPolarHBondContact OE2-CD 3.45Å; E52-R55 IonicContact OE2-NE 3.42Å
53	G	87.9	Confident	90.5	Very high	14 Å²	14	45.9 Å²	45.9	14%	0.144	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.5	-159.6	-171.7	0	0	0	0	0	113	S49 R55	S49-G53 VanDerWaalsContact CB-O 3.32Å; S49-G53 WeakPolarHBondContact CB-O 3.42Å; S49-G53 PolarHBondContact N-O 3.17Å; S49-G53 WeakPolarHBondContact O-CA 3.37Å; S49-G53 PolarHBondContact O-N 3.15Å; G53-R55 PolarHBondContact O-N 3.27Å
54	P	92.6	Very high	90	Very high	30 Å²	30	46 Å²	46	20%	0.195	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	132.2	175.2	-24.3	35.4	0	0	0	111.9	V46 E47 F48 V75 M78	V46-P54 HydrophobicContact CG1-CB 4.49Å; E47-P54 WeakPolarHBondContact O-CA 3.48Å; F48-P54 HydrophobicContact CD2-CG 3.99Å; F48-P54 HydrophobicContact CE2-CG 4.16Å; P54-V75 HydrophobicContact CB-CG2 4.34Å; P54-M78 HydrophobicContact CB-CB 3.74Å; P54-M78 HydrophobicContact CB-CG 3.84Å; P54-M78 HydrophobicContact CG-CB 3.61Å; P54-M78 HydrophobicContact CG-CG 4.22Å
55	R	92.7	Very high	89.4	Confident	69 Å²	69	46.6 Å²	46.6	26%	0.26	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	150	175.2	61.7	177.1	-69.4	-109.6	-12.8	113.1	V46 E47 E52 G53 A57	V46-R55 WeakPolarHBondContact CA-O 3.48Å; V46-R55 WeakPolarHBondContact CG1-O 3.2Å; E47-R55 HydrophobicContact CG-CG 3.64Å; E47-R55 PolarHBondContact N-O 2.97Å; E47-R55 PolarHBondContact O-N 3.29Å; E47-R55 IonicContact OE1-CZ 3.91Å; E47-R55 IonicContact OE1-NE 2.63Å; E47-R55 IonicContact OE1-NH1 2.93Å; E47-R55 PolarHBondContact OE1-NH1 3.13Å; E52-R55 WeakPolarHBondContact OE2-CD 3.45Å; E52-R55 IonicContact OE2-NE 3.42Å; G53-R55 PolarHBondContact O-N 3.27Å; R55-A57 PolarHBondContact O-N 2.91Å
56	P	94.5	Very high	88.6	Confident	22 Å²	22	56.3 Å²	56.3	14%	0.143	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	125.7	170	-21.1	33.9	0	0	0	111.2	L44 P70 D71 A74	L44-P56 HydrophobicContact CD1-CB 4.17Å; P56-P70 HydrophobicContact CB-CB 4.4Å; P56-P70 HydrophobicContact CG-CB 3.82Å; P56-P70 HydrophobicContact CG-CG 4.43Å; P56-P70 WeakPolarHBondContact CG-O 3.4Å; P56-D71 WeakPolarHBondContact CD-OD1 3.13Å; P56-D71 WeakPolarHBondContact CG-OD1 3.44Å; P56-A74 HydrophobicContact CG-CB 4.08Å
57	A	92.8	Very high	88.1	Confident	36 Å²	36	62.8 Å²	62.8	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-34.7	172	0	0	0	0	0	111.9	L45 E47 R55	L45-A57 HydrophobicContact CD2-CB 3.97Å; L45-A57 HydrophobicContact CG-CB 4.14Å; L45-A57 PolarHBondContact O-N 3.24Å; E47-A57 HydrophobicContact CB-CB 4.3Å; E47-A57 HydrophobicContact CG-CB 4.08Å; R55-A57 PolarHBondContact O-N 2.91Å
58	L	94.5	Very high	88	Confident	31 Å²	31	63.6 Å²	63.6	16%	0.162	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	138.1	177.9	176.6	70.4	0	0	0	109.9	L44 L45 V60 F301 T302	L44-L58 WeakPolarHBondContact CA-O 3.39Å; L45-L58 HydrophobicContact CB-CB 3.99Å; L45-L58 HydrophobicContact CD2-CB 4.45Å; L45-L58 PolarHBondContact N-O 3.24Å; L45-L58 PolarHBondContact O-N 3.21Å; L58-V60 HydrophobicContact CD1-CG2 4.15Å; L58-V60 HydrophobicContact CD2-CG2 4.09Å; L58-V60 HydrophobicContact CG-CG2 3.98Å; L58-F301 HydrophobicContact CD2-CD1 4.33Å; L58-F301 HydrophobicContact CD2-CE1 3.78Å; L58-T302 HydrophobicContact CD1-CG2 4.46Å; L58-T302 HydrophobicContact CD2-CG2 4.48Å
59	C	95.2	Very high	88.2	Confident	20 Å²	20	63.1 Å²	63.1	14%	0.135	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.6	170.3	-168.4	0	0	0	0	109.7	I43 L44 P61 Q62	I43-C59 WeakPolarHBondContact O-CA 3.09Å; L44-C59 HydrophobicContact CD1-CB 3.76Å; C59-P61 CarbonylContact C-O 3.46Å; C59-P61 VanDerWaalsContact C-O 3.3Å; C59-P61 CarbonylContact O-C 3.38Å; C59-P61 PolarHBondContact SG-O 3.11Å; C59-Q62 PolarHBondContact O-N 2.96Å
60	V	93.2	Very high	88.8	Confident	13 Å²	13	65 Å²	65	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	114.4	-180	-176.9	0	0	0	0	109.1	C42 I43 L58 C305 R306 L309	C42-V60 CarbonylContact C-O 3.3Å; C42-V60 WeakPolarHBondContact CA-O 3.49Å; C42-V60 VanDerWaalsContact CB-O 3.29Å; C42-V60 WeakPolarHBondContact CB-O 3.33Å; I43-V60 PolarHBondContact N-O 2.63Å; I43-V60 PolarHBondContact O-N 3.06Å; L58-V60 HydrophobicContact CD1-CG2 4.15Å; L58-V60 HydrophobicContact CD2-CG2 4.09Å; L58-V60 HydrophobicContact CG-CG2 3.98Å; V60-C305 HydrophobicContact CG2-CB 4.29Å; V60-R306 HydrophobicContact CG1-CG 3.72Å; V60-L309 HydrophobicContact CG1-CD2 4.12Å; V60-L309 WeakPolarHBondContact O-CD2 3.47Å
61	P	92.4	Very high	89.6	Confident	38 Å²	38	65 Å²	65	25%	0.247	35%	0.348	C	S	.	.	S	Bend	cis	-63.2	164.5	-9.3	31	-37.5	0	0	0	112	C59 T63 P64	C59-P61 CarbonylContact C-O 3.46Å; C59-P61 VanDerWaalsContact C-O 3.3Å; C59-P61 CarbonylContact O-C 3.38Å; C59-P61 PolarHBondContact SG-O 3.11Å; P61-T63 PolarHBondContact O-N 3.27Å; P61-P64 HydrophobicContact CG-CB 4.26Å
62	Q	89.2	Confident	90.4	Very high	178 Å²	178	63.1 Å²	63.1	83%	0.832	34%	0.337	S	S	*	.	S	Bend	trans	-61.7	-30.7	-179.8	-73.6	178.9	-5.4	0	0	112.8	C59	C59-Q62 PolarHBondContact O-N 2.96Å
63	T	88.4	Confident	90.9	Very high	117 Å²	117	56.9 Å²	56.9	72%	0.718	31%	0.308	S	S	*	.			trans	-130.4	86.7	179.8	50.7	0	0	0	0	109.8	P61 G65	P61-T63 PolarHBondContact O-N 3.27Å; T63-G65 VanDerWaalsContact C-N 3.27Å; T63-G65 PolarHBondContact O-N 3.37Å
64	P	87.1	Confident	91.3	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.026	30%	0.301	C	S	.	.	S	Bend	trans	-75.7	-16.1	-176.7	32	-36.9	0	0	0	113.7	I38 S39 E40 C42 P61 F68	I38-P64 HydrophobicContact CB-CB 4.42Å; I38-P64 HydrophobicContact CG2-CB 3.97Å; I38-P64 HydrophobicContact CG2-CG 4.07Å; S39-P64 PolarHBondContact N-O 3.04Å; S39-P64 PolarHBondContact OG-O 3.35Å; E40-P64 PolarHBondContact N-O 2.95Å; E40-P64 VanDerWaalsContact N-O 3.15Å; C42-P64 HydrophobicContact CB-CB 3.58Å; C42-P64 HydrophobicContact CB-CG 4.17Å; P61-P64 HydrophobicContact CG-CB 4.26Å; P64-F68 HydrophobicContact CG-CB 4.14Å; P64-F68 HydrophobicContact CG-CD1 3.37Å; P64-F68 HydrophobicContact CG-CE1 3.95Å; P64-F68 HydrophobicContact CG-CG 3.86Å
65	G	83.6	Confident	91.3	Very high	13 Å²	13	58.1 Å²	58.1	13%	0.134	31%	0.312	C	S	.	.			trans	-172.1	157.6	171.8	0	0	0	0	0	111.3	T63 H67 F68	T63-G65 VanDerWaalsContact C-N 3.27Å; T63-G65 PolarHBondContact O-N 3.37Å; G65-H67 PolarHBondContact O-N 3.12Å; G65-F68 PolarHBondContact O-N 3.45Å
66	K	78.8	Confident	91.3	Very high	205 Å²	205	58.5 Å²	58.5	89%	0.891	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.4	-178.2	-70.4	-177.2	179.1	177.7	0	113.8
67	H	85.2	Confident	91.2	Very high	137 Å²	137	57.4 Å²	57.4	63%	0.634	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-1.1	-174.9	-58.8	-61.4	0	0	0	112.8	A37 G65 D69	A37-H67 HydrophobicContact CB-CB 4.36Å; G65-H67 PolarHBondContact O-N 3.12Å; H67-D69 PolarHBondContact O-N 2.95Å
68	F	91.4	Very high	90.9	Very high	17 Å²	17	57 Å²	57	8%	0.075	30%	0.299	C	S	.	.			trans	-77.1	119.5	178.3	-174.8	-105.6	0	0	0	109.8	A37 I38 P64 G65 P70 F73 I145	A37-F68 HydrophobicContact CB-CB 4.29Å; A37-F68 HydrophobicContact CB-CD2 4.36Å; A37-F68 PolarHBondContact O-N 3.1Å; I38-F68 HydrophobicContact CG2-CB 3.81Å; I38-F68 HydrophobicContact CG2-CD1 4.45Å; I38-F68 HydrophobicContact CG2-CD2 3.4Å; I38-F68 HydrophobicContact CG2-CE2 4.08Å; I38-F68 HydrophobicContact CG2-CG 3.63Å; P64-F68 HydrophobicContact CG-CB 4.14Å; P64-F68 HydrophobicContact CG-CD1 3.37Å; P64-F68 HydrophobicContact CG-CE1 3.95Å; P64-F68 HydrophobicContact CG-CG 3.86Å; G65-F68 PolarHBondContact O-N 3.45Å; F68-P70 HydrophobicContact CD1-CB 4.35Å; F68-P70 HydrophobicContact CE1-CB 3.92Å; F68-P70 WeakPolarHBondContact O-CD 3.32Å; F68-F73 HydrophobicContact CE2-CB 4.29Å; F68-F73 AromaticContact CE2-CD2 3.96Å; F68-F73 HydrophobicContact CE2-CD2 3.96Å; F68-F73 HydrophobicContact CE2-CE2 4.48Å; F68-F73 HydrophobicContact CE2-CG 4.08Å; F68-F73 HydrophobicContact CZ-CB 4Å; F68-F73 HydrophobicContact CZ-CD1 4.22Å; F68-F73 HydrophobicContact CZ-CD2 4.24Å; F68-F73 AromaticContact CZ-CG 3.89Å; F68-F73 HydrophobicContact CZ-CG 3.89Å; F68-I145 HydrophobicContact CE1-CD1 4.45Å; F68-I145 HydrophobicContact CE2-CD1 4.07Å; F68-I145 HydrophobicContact CZ-CD1 3.53Å
69	D	93.5	Very high	90.5	Very high	73 Å²	73	59.5 Å²	59.5	39%	0.39	32%	0.319	S	S	.	.			trans	-100.7	101.1	174.7	-175.9	-18.6	0	0	0	109	H67 D71 A72 F73 Q117	H67-D69 PolarHBondContact O-N 2.95Å; D69-D71 VanDerWaalsContact C-N 3.29Å; D69-D71 PolarHBondContact O-N 3.46Å; D69-D71 PolarHBondContact OD1-N 3.21Å; D69-A72 HydrophobicContact CB-CB 4Å; D69-A72 PolarHBondContact OD1-N 3.15Å; D69-F73 WeakPolarHBondContact O-CB 3.35Å; D69-F73 PolarHBondContact O-N 3.17Å; D69-Q117 PolarHBondContact O-NE2 3.38Å
70	P	94.4	Very high	89.4	Confident	41 Å²	41	59.7 Å²	59.7	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-68.6	-27.8	-177.8	29.3	-35.2	0	0	0	112.5	L44 P56 F68 A74	L44-P70 HydrophobicContact CD1-CB 4.31Å; P56-P70 HydrophobicContact CB-CB 4.4Å; P56-P70 HydrophobicContact CG-CB 3.82Å; P56-P70 HydrophobicContact CG-CG 4.43Å; P56-P70 WeakPolarHBondContact CG-O 3.4Å; F68-P70 HydrophobicContact CD1-CB 4.35Å; F68-P70 HydrophobicContact CE1-CB 3.92Å; F68-P70 WeakPolarHBondContact O-CD 3.32Å; P70-A74 VanDerWaalsContact O-CB 3.25Å; P70-A74 WeakPolarHBondContact O-CB 3.23Å; P70-A74 PolarHBondContact O-N 3.28Å
71	D	94	Very high	87.6	Confident	98 Å²	98	65.5 Å²	65.5	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-73.2	-47.6	-179.4	-67.8	-50.5	0	0	0	110.3	P56 D69 F73 A74 V75	P56-D71 WeakPolarHBondContact CD-OD1 3.13Å; P56-D71 WeakPolarHBondContact CG-OD1 3.44Å; D69-D71 VanDerWaalsContact C-N 3.29Å; D69-D71 PolarHBondContact O-N 3.46Å; D69-D71 PolarHBondContact OD1-N 3.21Å; D71-F73 VanDerWaalsContact C-N 3.29Å; D71-F73 PolarHBondContact O-N 3.3Å; D71-A74 WeakPolarHBondContact O-CB 3.22Å; D71-A74 PolarHBondContact O-N 3.25Å; D71-V75 WeakPolarHBondContact O-CG2 3.38Å; D71-V75 PolarHBondContact O-N 2.92Å; D71-V75 VanDerWaalsContact O-N 3.09Å
72	A	93.7	Very high	86.1	Confident	38 Å²	38	66.6 Å²	66.6	31%	0.314	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-41.4	173.2	0	0	0	0	0	111.4	D69 A74 V75 W76	D69-A72 HydrophobicContact CB-CB 4Å; D69-A72 PolarHBondContact OD1-N 3.15Å; A72-A74 PolarHBondContact O-N 3.46Å; A72-V75 PolarHBondContact O-N 3.44Å; A72-W76 PolarHBondContact O-N 2.52Å
73	F	94.5	Very high	84.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-41.1	176.6	-166.4	-91.4	0	0	0	111.9	L44 F68 D69 D71 V75 W76 L77 N114 V119 T121 I145	L44-F73 HydrophobicContact CD2-CD1 3.51Å; L44-F73 HydrophobicContact CD2-CE1 4.11Å; L44-F73 HydrophobicContact CD2-CG 4.45Å; F68-F73 HydrophobicContact CE2-CB 4.29Å; F68-F73 AromaticContact CE2-CD2 3.96Å; F68-F73 HydrophobicContact CE2-CD2 3.96Å; F68-F73 HydrophobicContact CE2-CE2 4.48Å; F68-F73 HydrophobicContact CE2-CG 4.08Å; F68-F73 HydrophobicContact CZ-CB 4Å; F68-F73 HydrophobicContact CZ-CD1 4.22Å; F68-F73 HydrophobicContact CZ-CD2 4.24Å; F68-F73 AromaticContact CZ-CG 3.89Å; F68-F73 HydrophobicContact CZ-CG 3.89Å; D69-F73 WeakPolarHBondContact O-CB 3.35Å; D69-F73 PolarHBondContact O-N 3.17Å; D71-F73 VanDerWaalsContact C-N 3.29Å; D71-F73 PolarHBondContact O-N 3.3Å; F73-V75 PolarHBondContact O-N 3.4Å; F73-W76 HydrophobicContact CD2-CE3 4.02Å; F73-W76 HydrophobicContact CD2-CZ3 4.27Å; F73-W76 HydrophobicContact CE1-CE3 4.38Å; F73-W76 HydrophobicContact CE1-CZ3 4.2Å; F73-W76 AromaticContact CE2-CE3 3.75Å; F73-W76 HydrophobicContact CE2-CE3 3.75Å; F73-W76 AromaticContact CE2-CZ3 3.53Å; F73-W76 HydrophobicContact CE2-CZ3 3.53Å; F73-W76 HydrophobicContact CG-CE3 4.44Å; F73-W76 AromaticContact CZ-CE3 3.98Å; F73-W76 HydrophobicContact CZ-CE3 3.98Å; F73-W76 AromaticContact CZ-CZ3 3.51Å; F73-W76 HydrophobicContact CZ-CZ3 3.51Å; F73-W76 PolarHBondContact O-N 3.1Å; F73-L77 HydrophobicContact CD1-CB 4.49Å; F73-L77 HydrophobicContact CD1-CD2 4.4Å; F73-L77 HydrophobicContact CE1-CB 4.49Å; F73-L77 HydrophobicContact CE1-CD1 4.21Å; F73-L77 HydrophobicContact CE1-CD2 4.01Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 3.28Å; F73-N114 HydrophobicContact CD2-CB 4.37Å; F73-N114 HydrophobicContact CE2-CB 3.86Å; F73-V119 HydrophobicContact CD2-CG2 4.28Å; F73-V119 HydrophobicContact CE2-CG2 3.55Å; F73-V119 HydrophobicContact CZ-CG2 4.35Å; F73-T121 HydrophobicContact CZ-CG2 3.9Å; F73-I145 HydrophobicContact CD1-CD1 3.88Å; F73-I145 HydrophobicContact CE1-CD1 3.36Å; F73-I145 HydrophobicContact CE1-CG1 4.04Å; F73-I145 HydrophobicContact CE2-CD1 4.35Å; F73-I145 HydrophobicContact CZ-CD1 3.62Å; F73-I145 HydrophobicContact CZ-CG1 4.01Å; F73-I145 HydrophobicContact CZ-CG2 4.46Å
74	A	94.9	Very high	81.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-42.7	177.1	0	0	0	0	0	112.7	V46 P56 P70 D71 A72 M78	V46-A74 HydrophobicContact CB-CB 4.36Å; V46-A74 HydrophobicContact CG1-CB 3.6Å; V46-A74 HydrophobicContact CG2-CB 3.81Å; P56-A74 HydrophobicContact CG-CB 4.08Å; P70-A74 VanDerWaalsContact O-CB 3.25Å; P70-A74 WeakPolarHBondContact O-CB 3.23Å; P70-A74 PolarHBondContact O-N 3.28Å; D71-A74 WeakPolarHBondContact O-CB 3.22Å; D71-A74 PolarHBondContact O-N 3.25Å; A72-A74 PolarHBondContact O-N 3.46Å; A74-M78 WeakPolarHBondContact O-CB 3.44Å; A74-M78 WeakPolarHBondContact O-CG 3.44Å; A74-M78 PolarHBondContact O-N 3.1Å
75	V	93.5	Very high	79.7	Confident	71 Å²	71	76.5 Å²	76.5	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-63.8	-48.1	175.6	175.1	0	0	0	0	110.8	P54 D71 A72 F73 L77 S79	P54-V75 HydrophobicContact CB-CG2 4.34Å; D71-V75 WeakPolarHBondContact O-CG2 3.38Å; D71-V75 PolarHBondContact O-N 2.92Å; D71-V75 VanDerWaalsContact O-N 3.09Å; A72-V75 PolarHBondContact O-N 3.44Å; F73-V75 PolarHBondContact O-N 3.4Å; V75-L77 PolarHBondContact O-N 2.91Å; V75-S79 VanDerWaalsContact O-CB 3.31Å; V75-S79 WeakPolarHBondContact O-CB 3.37Å; V75-S79 PolarHBondContact O-N 3.4Å; V75-S79 PolarHBondContact O-OG 3.2Å
76	W	93.5	Very high	77.4	Confident	76 Å²	76	81.1 Å²	81.1	29%	0.288	40%	0.402	S	S	.	.	H	α-helix	trans	-57.9	-49.2	176.7	168.7	79.1	0	0	0	111.5	A72 F73 M78 S79 A80 L112 H113 N114 T121	A72-W76 PolarHBondContact O-N 2.52Å; F73-W76 HydrophobicContact CD2-CE3 4.02Å; F73-W76 HydrophobicContact CD2-CZ3 4.27Å; F73-W76 HydrophobicContact CE1-CE3 4.38Å; F73-W76 HydrophobicContact CE1-CZ3 4.2Å; F73-W76 AromaticContact CE2-CE3 3.75Å; F73-W76 HydrophobicContact CE2-CE3 3.75Å; F73-W76 AromaticContact CE2-CZ3 3.53Å; F73-W76 HydrophobicContact CE2-CZ3 3.53Å; F73-W76 HydrophobicContact CG-CE3 4.44Å; F73-W76 AromaticContact CZ-CE3 3.98Å; F73-W76 HydrophobicContact CZ-CE3 3.98Å; F73-W76 AromaticContact CZ-CZ3 3.51Å; F73-W76 HydrophobicContact CZ-CZ3 3.51Å; F73-W76 PolarHBondContact O-N 3.1Å; W76-M78 PolarHBondContact O-N 3.25Å; W76-S79 PolarHBondContact O-N 3.48Å; W76-A80 PolarHBondContact O-N 3.33Å; W76-L112 HydrophobicContact CH2-CB 3.62Å; W76-L112 HydrophobicContact CH2-CD1 4.23Å; W76-L112 HydrophobicContact CZ2-CB 4.15Å; W76-H113 WeakPolarHBondContact CZ2-O 3.49Å; W76-N114 HydrophobicContact CD2-CB 4.21Å; W76-N114 HydrophobicContact CE3-CB 4.09Å; W76-N114 HydrophobicContact CH2-CB 3.7Å; W76-N114 HydrophobicContact CZ2-CB 3.83Å; W76-N114 HydrophobicContact CZ3-CB 3.83Å; W76-T121 HydrophobicContact CH2-CG2 4.06Å; W76-T121 HydrophobicContact CZ3-CG2 3.95Å
77	L	91.6	Very high	75.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-58	-53	-176.9	-165.9	63.8	0	0	0	109.9	V46 F73 V75 S79 A80 Y82 L112 T121 V123 C141	V46-L77 HydrophobicContact CG2-CD2 4.01Å; F73-L77 HydrophobicContact CD1-CB 4.49Å; F73-L77 HydrophobicContact CD1-CD2 4.4Å; F73-L77 HydrophobicContact CE1-CB 4.49Å; F73-L77 HydrophobicContact CE1-CD1 4.21Å; F73-L77 HydrophobicContact CE1-CD2 4.01Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 3.28Å; V75-L77 PolarHBondContact O-N 2.91Å; L77-S79 PolarHBondContact O-N 3.46Å; L77-A80 WeakPolarHBondContact O-CB 3.15Å; L77-A80 PolarHBondContact O-N 3.35Å; L77-Y82 PolarHBondContact O-OH 3.34Å; L77-L112 HydrophobicContact CD1-CD1 4.19Å; L77-T121 HydrophobicContact CD1-CG2 4.15Å; L77-V123 HydrophobicContact CD1-CB 4.4Å; L77-V123 HydrophobicContact CD1-CG1 3.98Å; L77-V123 HydrophobicContact CD1-CG2 3.5Å; L77-V123 VanDerWaalsContact CD1-CG2 3.5Å; L77-V123 HydrophobicContact CD2-CG1 4.27Å; L77-V123 HydrophobicContact CG-CG1 4.2Å; L77-C141 WeakPolarHBondContact CD2-SG 3.07Å
78	M	87.3	Confident	72.6	Confident	27 Å²	27	78.3 Å²	78.3	13%	0.133	40%	0.404	C	S	.	.	H	α-helix	trans	-72.1	-13.3	-177.8	-67.3	-64.3	-79.6	0	0	114.4	V46 F48 P54 A74 W76 Y82 P139 C141	V46-M78 HydrophobicContact CB-CG 4.5Å; V46-M78 HydrophobicContact CG1-CG 3.57Å; V46-M78 HydrophobicContact CG1-SD 4.3Å; F48-M78 HydrophobicContact CB-CE 3.84Å; F48-M78 HydrophobicContact CD2-CE 4.47Å; P54-M78 HydrophobicContact CB-CB 3.74Å; P54-M78 HydrophobicContact CB-CG 3.84Å; P54-M78 HydrophobicContact CG-CB 3.61Å; P54-M78 HydrophobicContact CG-CG 4.22Å; A74-M78 WeakPolarHBondContact O-CB 3.44Å; A74-M78 WeakPolarHBondContact O-CG 3.44Å; A74-M78 PolarHBondContact O-N 3.1Å; W76-M78 PolarHBondContact O-N 3.25Å; M78-Y82 WeakPolarHBondContact CA-OH 3.28Å; M78-P139 HydrophobicContact CE-CB 4.04Å; M78-C141 HydrophobicContact SD-CB 4.08Å; M78-C141 VanDerWaalsContact SD-SG 3.63Å
79	S	84.5	Confident	69.6	Low	83 Å²	83	86 Å²	86	58%	0.58	44%	0.442	S	S	*	.	H	α-helix	trans	-88.1	-10	175.2	-57	0	0	0	0	113.4	V75 W76 L77 D81	V75-S79 VanDerWaalsContact O-CB 3.31Å; V75-S79 WeakPolarHBondContact O-CB 3.37Å; V75-S79 PolarHBondContact O-N 3.4Å; V75-S79 PolarHBondContact O-OG 3.2Å; W76-S79 PolarHBondContact O-N 3.48Å; L77-S79 PolarHBondContact O-N 3.46Å; S79-D81 PolarHBondContact O-N 3.29Å
80	A	71.9	Confident	66.5	Low	24 Å²	24	91.3 Å²	91.3	20%	0.198	46%	0.457	C	S	.	.	S	Bend	trans	-65.5	128.5	176.6	0	0	0	0	0	110.8	W76 L77 Y82 L112	W76-A80 PolarHBondContact O-N 3.33Å; L77-A80 WeakPolarHBondContact O-CB 3.15Å; L77-A80 PolarHBondContact O-N 3.35Å; A80-Y82 HydrophobicContact CB-CE1 4.33Å; A80-Y82 VanDerWaalsContact O-CD2 3.29Å; A80-Y82 WeakPolarHBondContact O-CD2 3.34Å; A80-Y82 WeakPolarHBondContact O-CE1 3.47Å; A80-Y82 WeakPolarHBondContact O-CE2 3.36Å; A80-Y82 PolarHBondContact O-N 3.44Å; A80-Y82 VanDerWaalsContact O-N 3.15Å; A80-L112 HydrophobicContact CB-CD1 4.04Å
81	D	57.1	Low	63.3	Low	136 Å²	136	95 Å²	95	73%	0.727	48%	0.481	S	S	*	.			trans	-67.1	110.1	-175.1	-102.9	-32.6	0	0	0	112.6	S79 Q83	S79-D81 PolarHBondContact O-N 3.29Å; D81-Q83 VanDerWaalsContact C-N 3.34Å; D81-Q83 PolarHBondContact O-N 3.19Å
82	Y	60.4	Low	60.2	Low	60 Å²	60	95.5 Å²	95.5	24%	0.235	50%	0.499	C	S	.	.			trans	-83	-2.7	-178.6	-54.7	-61	0	0	0	115.1	L77 M78 A80 R84 L110 H125	L77-Y82 PolarHBondContact O-OH 3.34Å; M78-Y82 WeakPolarHBondContact CA-OH 3.28Å; A80-Y82 HydrophobicContact CB-CE1 4.33Å; A80-Y82 VanDerWaalsContact O-CD2 3.29Å; A80-Y82 WeakPolarHBondContact O-CD2 3.34Å; A80-Y82 WeakPolarHBondContact O-CE1 3.47Å; A80-Y82 WeakPolarHBondContact O-CE2 3.36Å; A80-Y82 PolarHBondContact O-N 3.44Å; A80-Y82 VanDerWaalsContact O-N 3.15Å; Y82-R84 PolarHBondContact O-N 2.89Å; Y82-L110 HydrophobicContact CD1-CD1 3.96Å; Y82-L110 HydrophobicContact CE1-CD1 4.2Å; Y82-H125 AromaticContact CD1-CE1 3.63Å; Y82-H125 AromaticContact CD1-CG 3.97Å; Y82-H125 AromaticContact CD1-ND1 3.72Å; Y82-H125 AromaticContact CD1-NE2 3.85Å; Y82-H125 AromaticContact CE1-CD2 3.5Å; Y82-H125 VanDerWaalsContact CE1-CD2 3.5Å; Y82-H125 WeakPolarHBondContact CE1-CD2 3.43Å; Y82-H125 AromaticContact CE1-CE1 2.93Å; Y82-H125 WeakPolarHBondContact CE1-CE1 3.47Å; Y82-H125 AromaticContact CE1-CG 3.8Å; Y82-H125 AromaticContact CE1-ND1 3.5Å; Y82-H125 WeakPolarHBondContact CE1-ND1 3.11Å; Y82-H125 AromaticContact CE1-NE2 2.94Å; Y82-H125 WeakPolarHBondContact CE1-NE2 3.41Å; Y82-H125 AromaticContact CE2-CD2 3.99Å; Y82-H125 AromaticContact CE2-NE2 3.98Å; Y82-H125 AromaticContact CZ-CD2 3.41Å; Y82-H125 VanDerWaalsContact CZ-CD2 3.41Å; Y82-H125 AromaticContact CZ-CE1 3.54Å; Y82-H125 AromaticContact CZ-NE2 2.97Å; Y82-H125 PolarHBondContact OH-CD2 3.02Å; Y82-H125 PolarHBondContact OH-NE2 3.41Å
83	Q	49.5	Very low	57.1	Low	171 Å²	171	98.4 Å²	98.4	80%	0.799	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-1.3	-170.5	-68.6	-168.6	-20.7	0	0	114.9	D81	D81-Q83 VanDerWaalsContact C-N 3.34Å; D81-Q83 PolarHBondContact O-N 3.19Å
84	R	39.7	Very low	54.1	Low	224 Å²	224	104.5 Å²	104.5	85%	0.845	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-10.8	-166.3	-80.7	-168.1	-175.2	-172.6	3.6	118.4	Y82	Y82-R84 PolarHBondContact O-N 2.89Å
85	Q	41	Very low	50.9	Low	112 Å²	112	110.5 Å²	110.5	52%	0.523	60%	0.601	S	S	.	*	S	Bend	trans	-110.3	-17.1	-174.4	-77.9	-174.9	1.7	0	0	116.9	S87	Q85-S87 VanDerWaalsContact C-N 3.28Å; Q85-S87 PolarHBondContact O-N 3.23Å
86	N	36.2	Very low	47.8	Very low	110 Å²	110	110.4 Å²	110.4	59%	0.588	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	4.9	178.6	-83.1	-27.9	0	0	0	114.5
87	S	32.7	Very low	44.8	Very low	102 Å²	102	113.4 Å²	113.4	71%	0.713	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-15.4	-177.3	-171.2	0	0	0	0	114.8	Q85	Q85-S87 VanDerWaalsContact C-N 3.28Å; Q85-S87 PolarHBondContact O-N 3.23Å
88	E	30.3	Very low	41.8	Very low	182 Å²	182	123 Å²	123	85%	0.85	68%	0.678	S	S	*	*	S	Bend	trans	-104.5	3.4	-168.8	-65.8	-166.1	162.8	0	0	115.4
89	M	28.2	Very low	39.1	Very low	177 Å²	177	127 Å²	127	87%	0.872	71%	0.709	S	S	*	*	S	Bend	trans	-142.1	62.1	178.8	-154	110.6	90.5	0	0	113.5
90	R	27.9	Very low	36.8	Very low	185 Å²	185	126.9 Å²	126.9	70%	0.698	70%	0.701	S	S	*	*			trans	-133.8	119.5	159.7	-79.2	-170.1	170.5	178.6	-2.2	111.2
91	P	26.6	Very low	34.9	Very low	119 Å²	119	132.4 Å²	132.4	77%	0.773	72%	0.721	S	S	*	*			trans	-69	135.4	167.9	27.3	-27.4	0	0	0	109.1	S93	P91-S93 PolarHBondContact O-N 3.49Å
92	A	29.1	Very low	34.1	Very low	109 Å²	109	129.4 Å²	129.4	90%	0.901	72%	0.716	S	S	*	*	S	Bend	trans	-70.8	86.2	179.6	0	0	0	0	0	111
93	S	29.4	Very low	33	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	72%	0.716	S	S	*	*			trans	-166.3	95.5	162.3	56.2	0	0	0	0	112.6	P91	P91-S93 PolarHBondContact O-N 3.49Å
94	S	31.7	Very low	32.5	Very low	129 Å²	129	126.5 Å²	126.5	90%	0.902	71%	0.709	S	S	*	*			trans	175.6	134.5	130.7	42.7	0	0	0	0	111.4
95	S	27.9	Very low	32.9	Very low	125 Å²	125	118.5 Å²	118.5	87%	0.874	69%	0.688	S	S	*	*			trans	-70.8	137.6	-177.4	159.3	0	0	0	0	112.5
96	G	27.2	Very low	33.7	Very low	70 Å²	70	121.9 Å²	121.9	72%	0.722	70%	0.701	S	S	*	*	S	Bend	trans	79.8	72	144.8	0	0	0	0	0	119.1
97	M	30.5	Very low	35.1	Very low	138 Å²	138	118.1 Å²	118.1	68%	0.68	68%	0.68	S	S	*	*			trans	-176.3	73.1	143.6	-167.6	87.1	85.2	0	0	109	S99 L100	M97-S99 PolarHBondContact O-N 2.85Å; M97-S99 VanDerWaalsContact O-N 3.11Å; M97-L100 HydrophobicContact CG-CD1 4.38Å
98	Q	28.7	Very low	36.8	Very low	201 Å²	201	114.3 Å²	114.3	94%	0.939	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	78.9	177.9	-69.7	179.6	8.9	0	0	110.8
99	S	31.6	Very low	38.8	Very low	111 Å²	111	107 Å²	107	78%	0.776	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.9	17.1	161.4	-166	0	0	0	0	116.3	M97	M97-S99 PolarHBondContact O-N 2.85Å; M97-S99 VanDerWaalsContact O-N 3.11Å
100	L	34.8	Very low	41.3	Very low	81 Å²	81	100.3 Å²	100.3	42%	0.424	59%	0.586	S	S	.	*			trans	-128.4	7.9	-174	-86.9	157.9	0	0	0	115.7	M97 M234	M97-L100 HydrophobicContact CG-CD1 4.38Å; L100-M234 HydrophobicContact CD1-CE 4.14Å
101	F	32.8	Very low	44	Very low	140 Å²	140	95 Å²	95	61%	0.614	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-93.4	7.9	-171.4	-71.5	-74.1	0	0	0	116.4	L103	F101-L103 PolarHBondContact O-N 3.37Å
102	A	41.2	Very low	47	Very low	74 Å²	74	91.1 Å²	91.1	61%	0.612	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-76.5	-10	174.3	0	0	0	0	0	113.6
103	L	36.7	Very low	49.9	Very low	46 Å²	46	89.8 Å²	89.8	24%	0.241	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-84.2	-18.2	-172.5	-63.6	169.7	0	0	0	114	F101 Y129 S238	F101-L103 PolarHBondContact O-N 3.37Å; L103-Y129 HydrophobicContact CD2-CE1 3.49Å; L103-Y129 VanDerWaalsContact CD2-CE1 3.49Å; L103-Y129 WeakPolarHBondContact CD2-OH 3.44Å; L103-S238 WeakPolarHBondContact CD1-OG 3.46Å
104	N	39.4	Very low	52.8	Low	123 Å²	123	85.2 Å²	85.2	66%	0.658	49%	0.486	S	S	*	.	S	Bend	trans	-127.6	17.6	-171.6	-79	22	0	0	0	114.3	K106	N104-K106 PolarHBondContact O-N 3.47Å
105	S	48.1	Very low	55.3	Low	57 Å²	57	86.8 Å²	86.8	40%	0.399	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-66.3	121.5	172.2	45.1	0	0	0	0	109.2	D107	S105-D107 PolarHBondContact O-N 2.97Å
106	K	56.1	Low	58.1	Low	183 Å²	183	89 Å²	89	80%	0.796	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-52.7	140.6	167	-80.9	-173.9	174.3	-174	0	108.4	N104 T108	N104-K106 PolarHBondContact O-N 3.47Å; K106-T108 PolarHBondContact O-N 3.48Å
107	D	66.1	Low	61.2	Low	30 Å²	30	86.4 Å²	86.4	16%	0.16	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-51.7	136.9	177.7	-70	-1.8	0	0	0	109.4	S105 Q124 H125 K172	S105-D107 PolarHBondContact O-N 2.97Å; D107-Q124 HydrophobicContact CB-CG 3.9Å; D107-Q124 PolarHBondContact OD2-NE2 3.19Å; D107-H125 VanDerWaalsContact CA-O 3.28Å; D107-H125 WeakPolarHBondContact CA-O 3.32Å; D107-H125 WeakPolarHBondContact CB-O 3.48Å; D107-K172 IonicContact OD1-NZ 3.33Å; D107-K172 PolarHBondContact OD1-NZ 3.4Å; D107-K172 IonicContact OD2-NZ 3.57Å; D107-K172 PolarHBondContact OD2-NZ 3.26Å
108	T	68.2	Low	63.8	Low	22 Å²	22	80.6 Å²	80.6	14%	0.135	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.5	177.1	-54.2	0	0	0	0	107.8	K106 L110 H125	K106-T108 PolarHBondContact O-N 3.48Å; T108-L110 HydrophobicContact CG2-CD1 4.27Å; T108-L110 HydrophobicContact CG2-CD2 4.48Å; T108-L110 HydrophobicContact CG2-CG 4.15Å; T108-H125 PolarHBondContact O-N 2.63Å; T108-H125 PolarHBondContact O-ND1 2.99Å
109	Q	72.1	Confident	66.8	Low	28 Å²	28	71 Å²	71	13%	0.131	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.2	171.2	-64.8	108.3	-11.2	0	0	113	V123 Q124 F156 H160	Q109-V123 VanDerWaalsContact CA-O 3.23Å; Q109-V123 WeakPolarHBondContact CA-O 3.29Å; Q109-Q124 HydrophobicContact CG-CB 3.96Å; Q109-Q124 HydrophobicContact CG-CG 3.98Å; Q109-F156 HydrophobicContact CB-CZ 4.23Å; Q109-H160 PolarHBondContact NE2-CD2 3.28Å; Q109-H160 PolarHBondContact NE2-CE1 2.99Å; Q109-H160 VanDerWaalsContact NE2-CE1 3.34Å; Q109-H160 PolarHBondContact NE2-NE2 3.19Å; Q109-H160 PolarHBondContact OE1-CD2 3.02Å; Q109-H160 PolarHBondContact OE1-NE2 2.86Å
110	L	81.9	Confident	69.6	Low	37 Å²	37	67.5 Å²	67.5	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.9	-174.5	-61.7	168.3	0	0	0	109.8	Y82 T108 L112 I122 V123	Y82-L110 HydrophobicContact CD1-CD1 3.96Å; Y82-L110 HydrophobicContact CE1-CD1 4.2Å; T108-L110 HydrophobicContact CG2-CD1 4.27Å; T108-L110 HydrophobicContact CG2-CD2 4.48Å; T108-L110 HydrophobicContact CG2-CG 4.15Å; L110-L112 HydrophobicContact CB-CD2 4.14Å; L110-L112 HydrophobicContact CB-CG 4.19Å; L110-I122 WeakPolarHBondContact O-CA 3.39Å; L110-V123 PolarHBondContact N-O 3.39Å; L110-V123 VanDerWaalsContact N-O 3.08Å; L110-V123 PolarHBondContact O-N 2.89Å
111	M	84.1	Confident	72.4	Confident	73 Å²	73	63.7 Å²	63.7	36%	0.36	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.5	163.1	-173.7	178.5	65	0	0	108.5	T121 I122 L152 A153 F156	M111-T121 CarbonylContact C-O 3.57Å; M111-T121 VanDerWaalsContact CA-O 3.3Å; M111-T121 WeakPolarHBondContact CA-O 3.43Å; M111-I122 HydrophobicContact CG-CG1 4.48Å; M111-L152 HydrophobicContact SD-CB 3.99Å; M111-A153 HydrophobicContact SD-CB 4.43Å; M111-F156 HydrophobicContact CB-CD2 4.44Å; M111-F156 HydrophobicContact CB-CE2 4.31Å
112	L	89.8	Confident	75.2	Confident	38 Å²	38	57.1 Å²	57.1	20%	0.199	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	160.6	-175.3	-56.8	178.7	0	0	0	111.3	W76 L77 A80 L110 F120 T121 V123	W76-L112 HydrophobicContact CH2-CB 3.62Å; W76-L112 HydrophobicContact CH2-CD1 4.23Å; W76-L112 HydrophobicContact CZ2-CB 4.15Å; L77-L112 HydrophobicContact CD1-CD1 4.19Å; A80-L112 HydrophobicContact CB-CD1 4.04Å; L110-L112 HydrophobicContact CB-CD2 4.14Å; L110-L112 HydrophobicContact CB-CG 4.19Å; L112-F120 CarbonylContact O-C 3.6Å; L112-F120 WeakPolarHBondContact O-CA 3.38Å; L112-T121 HydrophobicContact CB-CG2 3.94Å; L112-T121 PolarHBondContact N-O 3.15Å; L112-T121 PolarHBondContact O-N 3.29Å; L112-V123 HydrophobicContact CD1-CG2 3.93Å; L112-V123 HydrophobicContact CG-CG2 4.27Å
113	H	89.7	Confident	77.6	Confident	81 Å²	81	53.6 Å²	53.6	38%	0.375	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.6	173.9	177.1	43.2	0	0	0	109.6	W76 E115 V119 F120	W76-H113 WeakPolarHBondContact CZ2-O 3.49Å; H113-E115 VanDerWaalsContact CD2-CG 3.45Å; H113-E115 WeakPolarHBondContact CD2-CG 3.45Å; H113-E115 VanDerWaalsContact NE2-CG 3.35Å; H113-E115 WeakPolarHBondContact NE2-CG 3.46Å; H113-V119 PolarHBondContact ND1-O 2.86Å; H113-F120 HydrophobicContact CB-CD1 3.82Å; H113-F120 HydrophobicContact CB-CE1 3.95Å; H113-F120 AromaticContact CE1-CE1 3.69Å; H113-F120 AromaticContact CE1-CZ 3.75Å; H113-F120 AromaticContact CG-CD1 3.79Å; H113-F120 AromaticContact CG-CE1 3.51Å; H113-F120 AromaticContact ND1-CD1 3.44Å; H113-F120 WeakPolarHBondContact ND1-CD1 3.4Å; H113-F120 AromaticContact ND1-CE1 3.18Å; H113-F120 WeakPolarHBondContact ND1-CE1 3.47Å; H113-F120 AromaticContact ND1-CZ 3.66Å
114	N	90	Very high	80.2	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.5	170.1	-173.3	-62.4	0	0	0	108.2	F73 W76 E116 Q117 G118 V119	F73-N114 HydrophobicContact CD2-CB 4.37Å; F73-N114 HydrophobicContact CE2-CB 3.86Å; W76-N114 HydrophobicContact CD2-CB 4.21Å; W76-N114 HydrophobicContact CE3-CB 4.09Å; W76-N114 HydrophobicContact CH2-CB 3.7Å; W76-N114 HydrophobicContact CZ2-CB 3.83Å; W76-N114 HydrophobicContact CZ3-CB 3.83Å; N114-E116 PolarHBondContact OD1-N 3.18Å; N114-Q117 WeakPolarHBondContact OD1-CB 3.08Å; N114-Q117 PolarHBondContact OD1-N 3.06Å; N114-G118 WeakPolarHBondContact O-CA 3.37Å; N114-G118 PolarHBondContact O-N 2.91Å; N114-V119 HydrophobicContact CB-CG2 3.85Å; N114-V119 PolarHBondContact N-O 3.21Å; N114-V119 PolarHBondContact O-N 3.35Å
115	E	85.5	Confident	82.6	Confident	161 Å²	161	46.6 Å²	46.6	75%	0.752	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-41	179.5	-72.1	179.7	178.9	0	0	111.8	H113 Q117 G118	H113-E115 VanDerWaalsContact CD2-CG 3.45Å; H113-E115 WeakPolarHBondContact CD2-CG 3.45Å; H113-E115 VanDerWaalsContact NE2-CG 3.35Å; H113-E115 WeakPolarHBondContact NE2-CG 3.46Å; E115-Q117 VanDerWaalsContact C-N 3.31Å; E115-Q117 PolarHBondContact O-N 3.24Å; E115-G118 PolarHBondContact O-N 2.66Å; E115-G118 VanDerWaalsContact O-N 3.17Å
116	E	86.9	Confident	84.6	Confident	173 Å²	173	44.1 Å²	44.1	81%	0.808	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-39.6	-176.2	-173.2	178.8	-177	0	0	112.6	N114	N114-E116 PolarHBondContact OD1-N 3.18Å
117	Q	90.2	Very high	86.3	Confident	14 Å²	14	37.5 Å²	37.5	7%	0.065	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-0.7	178.9	-60.2	-163.7	9	0	0	113.2	A37 D69 N114 E115 V119	A37-Q117 HydrophobicContact CB-CB 3.91Å; A37-Q117 VanDerWaalsContact CB-O 3.29Å; A37-Q117 WeakPolarHBondContact CB-O 3.31Å; A37-Q117 PolarHBondContact N-O 3.25Å; D69-Q117 PolarHBondContact O-NE2 3.38Å; N114-Q117 WeakPolarHBondContact OD1-CB 3.08Å; N114-Q117 PolarHBondContact OD1-N 3.06Å; E115-Q117 VanDerWaalsContact C-N 3.31Å; E115-Q117 PolarHBondContact O-N 3.24Å; Q117-V119 HydrophobicContact CB-CG2 4.16Å; Q117-V119 PolarHBondContact O-N 3Å
118	G	87	Confident	87.6	Confident	16 Å²	16	36 Å²	36	17%	0.165	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	44.3	178.1	0	0	0	0	0	113.3	S36 N114 E115	S36-G118 WeakPolarHBondContact CB-O 3.49Å; S36-G118 PolarHBondContact OG-O 3.44Å; N114-G118 WeakPolarHBondContact O-CA 3.37Å; N114-G118 PolarHBondContact O-N 2.91Å; E115-G118 PolarHBondContact O-N 2.66Å; E115-G118 VanDerWaalsContact O-N 3.17Å
119	V	90.9	Very high	88.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.2	-178.4	-66	0	0	0	0	112.5	S36 I38 F73 H113 N114 Q117 I145	S36-V119 VanDerWaalsContact OG-CG1 3.32Å; S36-V119 WeakPolarHBondContact OG-CG1 3.45Å; I38-V119 HydrophobicContact CD1-CG1 3.81Å; I38-V119 HydrophobicContact CG1-CG1 3.71Å; I38-V119 HydrophobicContact CG2-CG1 4.36Å; F73-V119 HydrophobicContact CD2-CG2 4.28Å; F73-V119 HydrophobicContact CE2-CG2 3.55Å; F73-V119 HydrophobicContact CZ-CG2 4.35Å; H113-V119 PolarHBondContact ND1-O 2.86Å; N114-V119 HydrophobicContact CB-CG2 3.85Å; N114-V119 PolarHBondContact N-O 3.21Å; N114-V119 PolarHBondContact O-N 3.35Å; Q117-V119 HydrophobicContact CB-CG2 4.16Å; Q117-V119 PolarHBondContact O-N 3Å; V119-I145 HydrophobicContact CB-CG2 3.63Å; V119-I145 HydrophobicContact CG1-CG2 3.9Å; V119-I145 HydrophobicContact CG2-CG2 3.8Å
120	F	90.7	Very high	89.5	Confident	38 Å²	38	34.9 Å²	34.9	17%	0.167	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.8	169.9	-54.4	-85.1	0	0	0	108.4	L112 H113 I145 S146 K147 R149 L152	L112-F120 CarbonylContact O-C 3.6Å; L112-F120 WeakPolarHBondContact O-CA 3.38Å; H113-F120 HydrophobicContact CB-CD1 3.82Å; H113-F120 HydrophobicContact CB-CE1 3.95Å; H113-F120 AromaticContact CE1-CE1 3.69Å; H113-F120 AromaticContact CE1-CZ 3.75Å; H113-F120 AromaticContact CG-CD1 3.79Å; H113-F120 AromaticContact CG-CE1 3.51Å; H113-F120 AromaticContact ND1-CD1 3.44Å; H113-F120 WeakPolarHBondContact ND1-CD1 3.4Å; H113-F120 AromaticContact ND1-CE1 3.18Å; H113-F120 WeakPolarHBondContact ND1-CE1 3.47Å; H113-F120 AromaticContact ND1-CZ 3.66Å; F120-I145 WeakPolarHBondContact O-CA 3.48Å; F120-S146 PolarHBondContact N-O 3.27Å; F120-S146 PolarHBondContact O-N 3.08Å; F120-S146 VanDerWaalsContact O-O 3.11Å; F120-K147 WeakPolarHBondContact CE2-O 3.41Å; F120-R149 HydrophobicContact CD1-CB 3.77Å; F120-R149 HydrophobicContact CD1-CG 3.9Å; F120-R149 HydrophobicContact CD2-CB 3.79Å; F120-R149 HydrophobicContact CE1-CB 3.78Å; F120-R149 HydrophobicContact CE1-CG 4Å; F120-R149 HydrophobicContact CE2-CB 3.8Å; F120-R149 HydrophobicContact CG-CB 3.78Å; F120-R149 HydrophobicContact CG-CG 4.31Å; F120-R149 HydrophobicContact CZ-CB 3.8Å; F120-R149 HydrophobicContact CZ-CG 4.49Å; F120-L152 HydrophobicContact CB-CD1 3.56Å; F120-L152 WeakPolarHBondContact O-CD1 3.46Å
121	T	93.5	Very high	89.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144	178.5	-177.9	0	0	0	0	112.7	F73 W76 L77 M111 L112 V123 S143 Y144	F73-T121 HydrophobicContact CZ-CG2 3.9Å; W76-T121 HydrophobicContact CH2-CG2 4.06Å; W76-T121 HydrophobicContact CZ3-CG2 3.95Å; L77-T121 HydrophobicContact CD1-CG2 4.15Å; M111-T121 CarbonylContact C-O 3.57Å; M111-T121 VanDerWaalsContact CA-O 3.3Å; M111-T121 WeakPolarHBondContact CA-O 3.43Å; L112-T121 HydrophobicContact CB-CG2 3.94Å; L112-T121 PolarHBondContact N-O 3.15Å; L112-T121 PolarHBondContact O-N 3.29Å; T121-V123 HydrophobicContact CG2-CG2 3.68Å; T121-S143 WeakPolarHBondContact OG1-CB 3.49Å; T121-S143 PolarHBondContact OG1-OG 3.15Å; T121-Y144 CarbonylContact C-O 3.53Å; T121-Y144 WeakPolarHBondContact CA-O 3.39Å; T121-Y144 PolarHBondContact OG1-O 3.23Å; T121-Y144 VanDerWaalsContact OG1-O 3.13Å
122	I	91.7	Very high	89.8	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.3	161.8	-66.2	166.7	0	0	0	107.1	L110 M111 S143 Y144 L152 F156 L159	L110-I122 WeakPolarHBondContact O-CA 3.39Å; M111-I122 HydrophobicContact CG-CG1 4.48Å; I122-S143 CarbonylContact O-C 3.52Å; I122-S143 WeakPolarHBondContact O-CA 3.3Å; I122-Y144 PolarHBondContact N-O 3.39Å; I122-Y144 PolarHBondContact O-N 2.86Å; I122-L152 HydrophobicContact CD1-CB 3.96Å; I122-L152 HydrophobicContact CD1-CD2 4.15Å; I122-L152 HydrophobicContact CG1-CB 4.08Å; I122-L152 HydrophobicContact CG1-CD1 4.4Å; I122-L152 HydrophobicContact CG1-CD2 4.45Å; I122-F156 HydrophobicContact CD1-CB 4.48Å; I122-F156 HydrophobicContact CD1-CD2 4.04Å; I122-F156 HydrophobicContact CG1-CD2 4.02Å; I122-F156 HydrophobicContact CG2-CD2 4.32Å; I122-F156 HydrophobicContact CG2-CE2 4.23Å; I122-L159 HydrophobicContact CD1-CB 4.29Å; I122-L159 HydrophobicContact CD1-CD1 3.69Å
123	V	91.4	Very high	89.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137	-174.4	-161	0	0	0	0	109.7	L77 Q109 L110 L112 T121 H125 C141 L142	L77-V123 HydrophobicContact CD1-CB 4.4Å; L77-V123 HydrophobicContact CD1-CG1 3.98Å; L77-V123 HydrophobicContact CD1-CG2 3.5Å; L77-V123 VanDerWaalsContact CD1-CG2 3.5Å; L77-V123 HydrophobicContact CD2-CG1 4.27Å; L77-V123 HydrophobicContact CG-CG1 4.2Å; Q109-V123 VanDerWaalsContact CA-O 3.23Å; Q109-V123 WeakPolarHBondContact CA-O 3.29Å; L110-V123 PolarHBondContact N-O 3.39Å; L110-V123 VanDerWaalsContact N-O 3.08Å; L110-V123 PolarHBondContact O-N 2.89Å; L112-V123 HydrophobicContact CD1-CG2 3.93Å; L112-V123 HydrophobicContact CG-CG2 4.27Å; T121-V123 HydrophobicContact CG2-CG2 3.68Å; V123-H125 WeakPolarHBondContact CG1-CE1 3.47Å; V123-C141 HydrophobicContact CG1-CB 3.89Å; V123-L142 CarbonylContact C-O 3.55Å; V123-L142 WeakPolarHBondContact CA-O 3.38Å
124	Q	90.9	Very high	89.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.6	168.9	-179.4	174.5	-14.1	0	0	110	D107 Q109 C141 L142 F163 T168	D107-Q124 HydrophobicContact CB-CG 3.9Å; D107-Q124 PolarHBondContact OD2-NE2 3.19Å; Q109-Q124 HydrophobicContact CG-CB 3.96Å; Q109-Q124 HydrophobicContact CG-CG 3.98Å; Q124-C141 CarbonylContact O-C 3.41Å; Q124-C141 VanDerWaalsContact O-CA 3.27Å; Q124-C141 WeakPolarHBondContact O-CA 3.48Å; Q124-L142 PolarHBondContact N-O 3.12Å; Q124-L142 PolarHBondContact O-N 3.45Å; Q124-F163 HydrophobicContact CB-CD2 4.35Å; Q124-T168 PolarHBondContact NE2-OG1 3.19Å
125	H	89.8	Confident	88.9	Confident	21 Å²	21	41.4 Å²	41.4	10%	0.097	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.7	176.3	-63.7	81	0	0	0	110.6	Y82 D107 T108 V123 C141	Y82-H125 AromaticContact CD1-CE1 3.63Å; Y82-H125 AromaticContact CD1-CG 3.97Å; Y82-H125 AromaticContact CD1-ND1 3.72Å; Y82-H125 AromaticContact CD1-NE2 3.85Å; Y82-H125 AromaticContact CE1-CD2 3.5Å; Y82-H125 VanDerWaalsContact CE1-CD2 3.5Å; Y82-H125 WeakPolarHBondContact CE1-CD2 3.43Å; Y82-H125 AromaticContact CE1-CE1 2.93Å; Y82-H125 WeakPolarHBondContact CE1-CE1 3.47Å; Y82-H125 AromaticContact CE1-CG 3.8Å; Y82-H125 AromaticContact CE1-ND1 3.5Å; Y82-H125 WeakPolarHBondContact CE1-ND1 3.11Å; Y82-H125 AromaticContact CE1-NE2 2.94Å; Y82-H125 WeakPolarHBondContact CE1-NE2 3.41Å; Y82-H125 AromaticContact CE2-CD2 3.99Å; Y82-H125 AromaticContact CE2-NE2 3.98Å; Y82-H125 AromaticContact CZ-CD2 3.41Å; Y82-H125 VanDerWaalsContact CZ-CD2 3.41Å; Y82-H125 AromaticContact CZ-CE1 3.54Å; Y82-H125 AromaticContact CZ-NE2 2.97Å; Y82-H125 PolarHBondContact OH-CD2 3.02Å; Y82-H125 PolarHBondContact OH-NE2 3.41Å; D107-H125 VanDerWaalsContact CA-O 3.28Å; D107-H125 WeakPolarHBondContact CA-O 3.32Å; D107-H125 WeakPolarHBondContact CB-O 3.48Å; T108-H125 PolarHBondContact O-N 2.63Å; T108-H125 PolarHBondContact O-ND1 2.99Å; V123-H125 WeakPolarHBondContact CG1-CE1 3.47Å; H125-C141 VanDerWaalsContact CD2-CB 3.43Å; H125-C141 WeakPolarHBondContact CD2-CB 3.47Å; H125-C141 WeakPolarHBondContact NE2-CB 3.38Å
126	F	91	Very high	89.1	Confident	5 Å²	5	35.1 Å²	35.1	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	166	175.9	68.1	-82.6	0	0	0	110.6	L45 L128 F140 L142 T168 L171	L45-F126 HydrophobicContact CD1-CE1 3.89Å; L45-F126 HydrophobicContact CD1-CZ 3.74Å; F126-L128 HydrophobicContact CD2-CD2 4.12Å; F126-L128 HydrophobicContact CD2-CG 4.32Å; F126-L128 HydrophobicContact CE2-CD1 4.32Å; F126-L128 HydrophobicContact CE2-CD2 4.02Å; F126-L128 HydrophobicContact CE2-CG 4.04Å; F126-F140 HydrophobicContact CD1-CB 4.11Å; F126-F140 HydrophobicContact CD2-CB 4.06Å; F126-F140 HydrophobicContact CE1-CB 3.68Å; F126-F140 HydrophobicContact CE2-CB 3.64Å; F126-F140 HydrophobicContact CE2-CD2 4.4Å; F126-F140 HydrophobicContact CE2-CG 4.05Å; F126-F140 HydrophobicContact CG-CB 4.29Å; F126-F140 HydrophobicContact CZ-CB 3.44Å; F126-F140 VanDerWaalsContact CZ-CB 3.44Å; F126-F140 HydrophobicContact CZ-CG 4.07Å; F126-F140 PolarHBondContact N-O 2.99Å; F126-F140 CarbonylContact O-C 3.38Å; F126-F140 WeakPolarHBondContact O-CA 3.48Å; F126-F140 PolarHBondContact O-N 3.28Å; F126-L142 HydrophobicContact CE1-CB 4.15Å; F126-T168 HydrophobicContact CD1-CG2 3.67Å; F126-T168 HydrophobicContact CE1-CG2 3.88Å; F126-T168 HydrophobicContact CG-CG2 4.02Å; F126-T168 HydrophobicContact CZ-CG2 4.37Å; F126-L171 HydrophobicContact CE2-CD2 4.32Å
127	T	91.1	Very high	89.3	Confident	44 Å²	44	28.5 Å²	28.5	27%	0.27	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.8	-179.2	54.8	0	0	0	0	111.4	V137 R138	T127-V137 HydrophobicContact CG2-CG1 3.64Å; T127-R138 WeakPolarHBondContact CA-O 3.41Å
128	L	92.7	Very high	89.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.7	169.9	-56.7	-179.8	0	0	0	110	F126 R138 F140 L171 K172 N175 L290 L293	F126-L128 HydrophobicContact CD2-CD2 4.12Å; F126-L128 HydrophobicContact CD2-CG 4.32Å; F126-L128 HydrophobicContact CE2-CD1 4.32Å; F126-L128 HydrophobicContact CE2-CD2 4.02Å; F126-L128 HydrophobicContact CE2-CG 4.04Å; L128-R138 PolarHBondContact N-O 3.24Å; L128-R138 PolarHBondContact O-N 3.13Å; L128-F140 HydrophobicContact CB-CD2 4.18Å; L128-F140 HydrophobicContact CB-CE2 3.88Å; L128-F140 HydrophobicContact CD1-CD2 3.89Å; L128-F140 HydrophobicContact CD1-CE2 3.58Å; L128-F140 HydrophobicContact CD1-CZ 3.95Å; L128-F140 HydrophobicContact CG-CD2 3.8Å; L128-F140 HydrophobicContact CG-CE2 3.81Å; L128-L171 HydrophobicContact CD1-CD2 3.32Å; L128-L171 HydrophobicContact CD2-CD2 3.49Å; L128-L171 VanDerWaalsContact CD2-CD2 3.49Å; L128-L171 HydrophobicContact CG-CD2 4.01Å; L128-K172 HydrophobicContact CD2-CG 4.21Å; L128-N175 HydrophobicContact CD2-CB 4.05Å; L128-L290 HydrophobicContact CD1-CD1 3.73Å; L128-L293 HydrophobicContact CD1-CB 4.36Å; L128-L293 HydrophobicContact CD1-CD1 4.13Å
129	Y	92.2	Very high	89.4	Confident	12 Å²	12	29.9 Å²	29.9	5%	0.047	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.3	-179.6	-59.4	-73.5	0	0	0	112.3	L103 F136 V137 N175 K176 F179 I239	L103-Y129 HydrophobicContact CD2-CE1 3.49Å; L103-Y129 VanDerWaalsContact CD2-CE1 3.49Å; L103-Y129 WeakPolarHBondContact CD2-OH 3.44Å; Y129-F136 VanDerWaalsContact CA-O 3.24Å; Y129-F136 WeakPolarHBondContact CA-O 3.5Å; Y129-F136 WeakPolarHBondContact CD1-O 3.4Å; Y129-V137 HydrophobicContact CD1-CG2 4.19Å; Y129-V137 HydrophobicContact CE1-CG2 4.03Å; Y129-N175 PolarHBondContact N-OD1 3.25Å; Y129-N175 PolarHBondContact O-ND2 3.03Å; Y129-K176 HydrophobicContact CD2-CG 4Å; Y129-K176 HydrophobicContact CE2-CG 3.84Å; Y129-F179 VanDerWaalsContact CB-CG 3.46Å; Y129-F179 HydrophobicContact CD1-CD1 4.37Å; Y129-F179 HydrophobicContact CD1-CE1 4.15Å; Y129-F179 HydrophobicContact CD2-CD1 4.38Å; Y129-F179 AromaticContact CG-CD1 3.78Å; Y129-F179 HydrophobicContact CG-CD1 3.78Å; Y129-F179 HydrophobicContact CG-CE1 4.01Å; Y129-F179 HydrophobicContact CG-CG 4.41Å; Y129-I239 HydrophobicContact CD1-CD1 4.2Å; Y129-I239 HydrophobicContact CD2-CD1 3.99Å; Y129-I239 HydrophobicContact CE1-CD1 4.31Å; Y129-I239 HydrophobicContact CE2-CD1 4.1Å; Y129-I239 HydrophobicContact CG-CD1 4.04Å
130	E	89.8	Confident	89.5	Confident	13 Å²	13	29.9 Å²	29.9	6%	0.061	16%	0.155	C	C	.	.			trans	-153.2	130.9	177.5	179.6	171.9	-168.2	0	0	110.6	Q132 A133 F136 R138 R288 L293	E130-Q132 PolarHBondContact O-N 3.42Å; E130-Q132 VanDerWaalsContact O-N 3.17Å; E130-A133 HydrophobicContact CB-CB 4.03Å; E130-A133 PolarHBondContact O-N 2.99Å; E130-A133 VanDerWaalsContact O-N 3.14Å; E130-F136 PolarHBondContact N-O 3.44Å; E130-F136 VanDerWaalsContact O-CA 3.32Å; E130-F136 WeakPolarHBondContact O-CA 3.49Å; E130-R138 IonicContact OE1-NH1 3.9Å; E130-R138 VanDerWaalsContact OE2-CD 3.27Å; E130-R138 WeakPolarHBondContact OE2-CD 3.34Å; E130-R138 IonicContact OE2-CZ 2.86Å; E130-R138 IonicContact OE2-NE 3.84Å; E130-R138 IonicContact OE2-NH1 2.74Å; E130-R138 PolarHBondContact OE2-NH1 2.95Å; E130-R288 WeakPolarHBondContact OE1-CB 3.19Å; E130-R288 WeakPolarHBondContact OE1-CG 3.39Å; E130-L293 HydrophobicContact CB-CD2 4.12Å; E130-L293 HydrophobicContact CG-CD2 4.27Å
131	L	88.1	Confident	89.6	Confident	11 Å²	11	28.1 Å²	28.1	6%	0.058	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.7	-174.1	-168.2	68	0	0	0	113.8	F136 F179 L183 A186 I232 L263 W266	L131-F136 HydrophobicContact CD1-CD1 4.28Å; L131-F136 HydrophobicContact CD1-CE1 3.98Å; L131-F136 WeakPolarHBondContact O-CD1 3.38Å; L131-F179 HydrophobicContact CB-CE2 4.19Å; L131-F179 HydrophobicContact CD1-CE2 4.38Å; L131-L183 HydrophobicContact CD1-CD2 4.08Å; L131-A186 HydrophobicContact CD1-CB 4.42Å; L131-A186 HydrophobicContact CD2-CB 4.02Å; L131-I232 HydrophobicContact CD1-CD1 4.04Å; L131-I232 HydrophobicContact CD1-CG1 4.31Å; L131-L263 HydrophobicContact CD2-CD2 3.82Å; L131-W266 HydrophobicContact CD2-CD2 3.66Å; L131-W266 HydrophobicContact CD2-CE3 4.06Å; L131-W266 HydrophobicContact CD2-CG 4.08Å; L131-W266 HydrophobicContact CD2-CH2 4.19Å; L131-W266 HydrophobicContact CD2-CZ2 3.78Å; L131-W266 HydrophobicContact CD2-CZ3 4.32Å; L131-W266 HydrophobicContact CG-CZ2 4.26Å
132	Q	84	Confident	89.7	Confident	54 Å²	54	28.1 Å²	28.1	25%	0.252	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-10	-177.5	-60.6	-172.1	8.3	0	0	113.6	E130	E130-Q132 PolarHBondContact O-N 3.42Å; E130-Q132 VanDerWaalsContact O-N 3.17Å
133	A	83.9	Confident	89.8	Confident	11 Å²	11	28 Å²	28	9%	0.091	15%	0.147	C	C	.	.	S	Bend	trans	-75.8	150.9	177.1	0	0	0	0	0	110.9	E130 A135 F136	E130-A133 HydrophobicContact CB-CB 4.03Å; E130-A133 PolarHBondContact O-N 2.99Å; E130-A133 VanDerWaalsContact O-N 3.14Å; A133-A135 PolarHBondContact O-N 3.07Å; A133-F136 WeakPolarHBondContact O-CA 3.44Å; A133-F136 PolarHBondContact O-N 2.77Å
134	R	81.5	Confident	90	Very high	210 Å²	210	28 Å²	28	79%	0.792	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-58.1	127.4	174.6	-179.5	176.4	-179.1	168.6	-0.2	110	E50 F136 V137	E50-R134 WeakPolarHBondContact OE1-CA 3.28Å; E50-R134 WeakPolarHBondContact OE1-CB 3.41Å; E50-R134 PolarHBondContact OE1-N 2.65Å; R134-F136 PolarHBondContact O-N 3.5Å; R134-F136 VanDerWaalsContact O-N 3.08Å; R134-V137 PolarHBondContact O-N 3.28Å
135	A	84.5	Confident	90.2	Very high	84 Å²	84	28 Å²	28	69%	0.694	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	54.3	22.9	-175.1	0	0	0	0	0	113.9	A133 V137	A133-A135 PolarHBondContact O-N 3.07Å; A135-V137 PolarHBondContact O-N 3.25Å
136	F	90.4	Very high	90.3	Very high	28 Å²	28	27.1 Å²	27.1	12%	0.123	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	65.3	11.9	-179	-46.3	-57.9	0	0	0	116.5	Y129 E130 L131 A133 R134 F179 E231 I232 A235	Y129-F136 VanDerWaalsContact CA-O 3.24Å; Y129-F136 WeakPolarHBondContact CA-O 3.5Å; Y129-F136 WeakPolarHBondContact CD1-O 3.4Å; E130-F136 PolarHBondContact N-O 3.44Å; E130-F136 VanDerWaalsContact O-CA 3.32Å; E130-F136 WeakPolarHBondContact O-CA 3.49Å; L131-F136 HydrophobicContact CD1-CD1 4.28Å; L131-F136 HydrophobicContact CD1-CE1 3.98Å; L131-F136 WeakPolarHBondContact O-CD1 3.38Å; A133-F136 WeakPolarHBondContact O-CA 3.44Å; A133-F136 PolarHBondContact O-N 2.77Å; R134-F136 PolarHBondContact O-N 3.5Å; R134-F136 VanDerWaalsContact O-N 3.08Å; F136-F179 HydrophobicContact CB-CE1 4.36Å; F136-F179 HydrophobicContact CB-CE2 4.48Å; F136-F179 HydrophobicContact CB-CZ 3.68Å; F136-F179 HydrophobicContact CD1-CZ 4.35Å; F136-F179 HydrophobicContact CG-CZ 4.03Å; F136-E231 HydrophobicContact CE2-CB 4.21Å; F136-E231 HydrophobicContact CZ-CB 4.38Å; F136-I232 HydrophobicContact CE1-CG1 4.33Å; F136-I232 HydrophobicContact CE2-CG1 4.49Å; F136-I232 HydrophobicContact CZ-CG1 3.77Å; F136-A235 HydrophobicContact CD2-CB 4.11Å; F136-A235 HydrophobicContact CE2-CB 4.35Å
137	V	89.5	Confident	90	Very high	34 Å²	34	32.4 Å²	32.4	21%	0.206	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134	-173.1	-179.7	0	0	0	0	110.6	T127 Y129 R134 A135	T127-V137 HydrophobicContact CG2-CG1 3.64Å; Y129-V137 HydrophobicContact CD1-CG2 4.19Å; Y129-V137 HydrophobicContact CE1-CG2 4.03Å; R134-V137 PolarHBondContact O-N 3.28Å; A135-V137 PolarHBondContact O-N 3.25Å
138	R	88.4	Confident	89.5	Confident	8 Å²	8	32.3 Å²	32.3	3%	0.03	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.1	177.3	-168.9	165.1	170.8	-171	-13.3	111	E47 T127 L128 E130 F140 R288	E47-R138 IonicContact OE1-NH2 2.67Å; E47-R138 IonicContact OE2-CZ 3.23Å; E47-R138 IonicContact OE2-NE 3.92Å; E47-R138 IonicContact OE2-NH2 2.63Å; E47-R138 PolarHBondContact OE2-NH2 3.31Å; T127-R138 WeakPolarHBondContact CA-O 3.41Å; L128-R138 PolarHBondContact N-O 3.24Å; L128-R138 PolarHBondContact O-N 3.13Å; E130-R138 IonicContact OE1-NH1 3.9Å; E130-R138 VanDerWaalsContact OE2-CD 3.27Å; E130-R138 WeakPolarHBondContact OE2-CD 3.34Å; E130-R138 IonicContact OE2-CZ 2.86Å; E130-R138 IonicContact OE2-NE 3.84Å; E130-R138 IonicContact OE2-NH1 2.74Å; E130-R138 PolarHBondContact OE2-NH1 2.95Å; R138-F140 HydrophobicContact CB-CE2 4.07Å; R138-F140 HydrophobicContact CG-CE2 3.74Å; R138-F140 HydrophobicContact CG-CZ 4.28Å; R138-F140 WeakPolarHBondContact O-CD2 3.49Å; R138-R288 PolarHBondContact NH1-O 2.81Å; R138-R288 PolarHBondContact NH2-O 2.81Å; R138-R288 VanDerWaalsContact NH2-O 3.09Å
139	P	91.5	Very high	89	Confident	51 Å²	51	39.5 Å²	39.5	33%	0.331	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.2	178.3	-19.2	31.7	0	0	0	113.8	F48 M78	F48-P139 HydrophobicContact CB-CB 4.17Å; F48-P139 HydrophobicContact CB-CG 4.28Å; F48-P139 PolarHBondContact N-O 2.79Å; M78-P139 HydrophobicContact CE-CB 4.04Å
140	F	93.2	Very high	88	Confident	1 Å²	1	47 Å²	47	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.1	171.5	-70.8	-97.7	0	0	0	110	L45 V46 E47 F126 L128 R138 L290 L293	L45-F140 HydrophobicContact CD1-CD1 4.3Å; L45-F140 HydrophobicContact CG-CD1 4.44Å; V46-F140 CarbonylContact O-C 3.57Å; V46-F140 VanDerWaalsContact O-CA 3.29Å; V46-F140 WeakPolarHBondContact O-CA 3.47Å; E47-F140 HydrophobicContact CB-CD1 3.62Å; E47-F140 HydrophobicContact CB-CE1 3.37Å; E47-F140 HydrophobicContact CB-CG 4.46Å; E47-F140 HydrophobicContact CB-CZ 4.01Å; F126-F140 HydrophobicContact CD1-CB 4.11Å; F126-F140 HydrophobicContact CD2-CB 4.06Å; F126-F140 HydrophobicContact CE1-CB 3.68Å; F126-F140 HydrophobicContact CE2-CB 3.64Å; F126-F140 HydrophobicContact CE2-CD2 4.4Å; F126-F140 HydrophobicContact CE2-CG 4.05Å; F126-F140 HydrophobicContact CG-CB 4.29Å; F126-F140 HydrophobicContact CZ-CB 3.44Å; F126-F140 VanDerWaalsContact CZ-CB 3.44Å; F126-F140 HydrophobicContact CZ-CG 4.07Å; F126-F140 PolarHBondContact N-O 2.99Å; F126-F140 CarbonylContact O-C 3.38Å; F126-F140 WeakPolarHBondContact O-CA 3.48Å; F126-F140 PolarHBondContact O-N 3.28Å; L128-F140 HydrophobicContact CB-CD2 4.18Å; L128-F140 HydrophobicContact CB-CE2 3.88Å; L128-F140 HydrophobicContact CD1-CD2 3.89Å; L128-F140 HydrophobicContact CD1-CE2 3.58Å; L128-F140 HydrophobicContact CD1-CZ 3.95Å; L128-F140 HydrophobicContact CG-CD2 3.8Å; L128-F140 HydrophobicContact CG-CE2 3.81Å; R138-F140 HydrophobicContact CB-CE2 4.07Å; R138-F140 HydrophobicContact CG-CE2 3.74Å; R138-F140 HydrophobicContact CG-CZ 4.28Å; R138-F140 WeakPolarHBondContact O-CD2 3.49Å; F140-L290 HydrophobicContact CE1-CD1 3.96Å; F140-L290 HydrophobicContact CZ-CD1 4.28Å; F140-L293 HydrophobicContact CE2-CD1 4.14Å; F140-L293 HydrophobicContact CZ-CD1 3.76Å
141	C	92.7	Very high	87.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.8	162.8	74.6	0	0	0	0	111.7	L45 V46 L77 M78 V123 Q124 H125	L45-C141 WeakPolarHBondContact CA-O 3.44Å; V46-C141 PolarHBondContact N-O 3.48Å; V46-C141 PolarHBondContact O-N 2.74Å; L77-C141 WeakPolarHBondContact CD2-SG 3.07Å; M78-C141 HydrophobicContact SD-CB 4.08Å; M78-C141 VanDerWaalsContact SD-SG 3.63Å; V123-C141 HydrophobicContact CG1-CB 3.89Å; Q124-C141 CarbonylContact O-C 3.41Å; Q124-C141 VanDerWaalsContact O-CA 3.27Å; Q124-C141 WeakPolarHBondContact O-CA 3.48Å; H125-C141 VanDerWaalsContact CD2-CB 3.43Å; H125-C141 WeakPolarHBondContact CD2-CB 3.47Å; H125-C141 WeakPolarHBondContact NE2-CB 3.38Å
142	L	94.8	Very high	87.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.4	174.1	-171	70.3	0	0	0	108.8	I43 L45 V123 Q124 F126 F163 L167 F301	I43-L142 HydrophobicContact CG2-CD1 3.68Å; I43-L142 HydrophobicContact CG2-CG 4.33Å; L45-L142 HydrophobicContact CB-CD1 4.2Å; L45-L142 HydrophobicContact CD1-CB 4.43Å; L45-L142 HydrophobicContact CD1-CD1 4.05Å; V123-L142 CarbonylContact C-O 3.55Å; V123-L142 WeakPolarHBondContact CA-O 3.38Å; Q124-L142 PolarHBondContact N-O 3.12Å; Q124-L142 PolarHBondContact O-N 3.45Å; F126-L142 HydrophobicContact CE1-CB 4.15Å; L142-F163 HydrophobicContact CB-CD2 4.25Å; L142-F163 HydrophobicContact CB-CE2 4.19Å; L142-F163 HydrophobicContact CD2-CB 4.09Å; L142-F163 HydrophobicContact CD2-CD1 3.95Å; L142-F163 HydrophobicContact CD2-CD2 3.37Å; L142-F163 HydrophobicContact CD2-CE1 4.1Å; L142-F163 HydrophobicContact CD2-CE2 3.56Å; L142-F163 HydrophobicContact CD2-CG 3.55Å; L142-F163 HydrophobicContact CD2-CZ 3.88Å; L142-F163 HydrophobicContact CG-CD2 3.82Å; L142-F163 HydrophobicContact CG-CE2 3.54Å; L142-F163 HydrophobicContact CG-CG 4.45Å; L142-F163 HydrophobicContact CG-CZ 3.96Å; L142-L167 HydrophobicContact CD2-CB 4.15Å; L142-L167 HydrophobicContact CD2-CD1 3.39Å; L142-L167 HydrophobicContact CD2-CG 4.42Å; L142-F301 HydrophobicContact CD1-CZ 4.29Å
143	S	95.1	Very high	87	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.4	-173.5	137.9	0	0	0	0	111.1	I43 L44 T121 I122 I145	I43-S143 CarbonylContact C-O 3.56Å; I43-S143 VanDerWaalsContact CA-O 3.29Å; I43-S143 WeakPolarHBondContact CA-O 3.46Å; L44-S143 PolarHBondContact N-O 2.94Å; L44-S143 PolarHBondContact O-N 3.06Å; T121-S143 WeakPolarHBondContact OG1-CB 3.49Å; T121-S143 PolarHBondContact OG1-OG 3.15Å; I122-S143 CarbonylContact O-C 3.52Å; I122-S143 WeakPolarHBondContact O-CA 3.3Å; S143-I145 WeakPolarHBondContact OG-CG1 3.47Å
144	Y	96	Very high	86.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.3	165.2	-169.5	-78.4	0	0	0	109.1	D41 I43 T121 I122 K151 L152 L159 F163 L309	D41-Y144 HydrophobicContact CB-CE1 4.15Å; D41-Y144 PolarHBondContact OD2-OH 3.42Å; I43-Y144 HydrophobicContact CD1-CD2 4.17Å; I43-Y144 HydrophobicContact CG1-CD2 3.76Å; I43-Y144 HydrophobicContact CG1-CE2 4.34Å; T121-Y144 CarbonylContact C-O 3.53Å; T121-Y144 WeakPolarHBondContact CA-O 3.39Å; T121-Y144 PolarHBondContact OG1-O 3.23Å; T121-Y144 VanDerWaalsContact OG1-O 3.13Å; I122-Y144 PolarHBondContact N-O 3.39Å; I122-Y144 PolarHBondContact O-N 2.86Å; Y144-K151 PolarHBondContact OH-NZ 3.23Å; Y144-L152 HydrophobicContact CD1-CD2 3.55Å; Y144-L152 HydrophobicContact CE1-CD2 3.92Å; Y144-L159 HydrophobicContact CD1-CD1 4.16Å; Y144-L159 HydrophobicContact CD2-CD1 4.33Å; Y144-L159 HydrophobicContact CD2-CD2 3.67Å; Y144-L159 HydrophobicContact CE2-CD2 4.1Å; Y144-L159 HydrophobicContact CG-CD1 4.04Å; Y144-L159 HydrophobicContact CG-CD2 4.11Å; Y144-F163 HydrophobicContact CD2-CZ 4.49Å; Y144-L309 HydrophobicContact CE2-CD1 3.84Å
145	I	95.3	Very high	86.5	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.5	-173.7	-48.2	178.6	0	0	0	109.5	I38 D41 C42 L44 F68 F73 V119 F120 S143	I38-I145 HydrophobicContact CD1-CG2 4Å; D41-I145 VanDerWaalsContact CA-O 3.31Å; D41-I145 WeakPolarHBondContact CA-O 2.93Å; D41-I145 WeakPolarHBondContact CB-O 3.41Å; C42-I145 PolarHBondContact N-O 3.4Å; C42-I145 PolarHBondContact O-N 3.07Å; L44-I145 HydrophobicContact CB-CD1 3.93Å; L44-I145 HydrophobicContact CD2-CD1 4.2Å; F68-I145 HydrophobicContact CE1-CD1 4.45Å; F68-I145 HydrophobicContact CE2-CD1 4.07Å; F68-I145 HydrophobicContact CZ-CD1 3.53Å; F73-I145 HydrophobicContact CD1-CD1 3.88Å; F73-I145 HydrophobicContact CE1-CD1 3.36Å; F73-I145 HydrophobicContact CE1-CG1 4.04Å; F73-I145 HydrophobicContact CE2-CD1 4.35Å; F73-I145 HydrophobicContact CZ-CD1 3.62Å; F73-I145 HydrophobicContact CZ-CG1 4.01Å; F73-I145 HydrophobicContact CZ-CG2 4.46Å; V119-I145 HydrophobicContact CB-CG2 3.63Å; V119-I145 HydrophobicContact CG1-CG2 3.9Å; V119-I145 HydrophobicContact CG2-CG2 3.8Å; F120-I145 WeakPolarHBondContact O-CA 3.48Å; S143-I145 WeakPolarHBondContact OG-CG1 3.47Å
146	S	90.9	Very high	86.5	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.9	176	-172.1	0	0	0	0	111.9	D41 F120 D148	D41-S146 WeakPolarHBondContact OD1-CA 3.36Å; D41-S146 WeakPolarHBondContact OD1-CB 3.39Å; D41-S146 PolarHBondContact OD1-OG 3.25Å; D41-S146 WeakPolarHBondContact OD2-CB 3.46Å; D41-S146 PolarHBondContact OD2-OG 3.14Å; F120-S146 PolarHBondContact N-O 3.27Å; F120-S146 PolarHBondContact O-N 3.08Å; F120-S146 VanDerWaalsContact O-O 3.11Å; S146-D148 VanDerWaalsContact C-N 3.3Å; S146-D148 PolarHBondContact OG-N 3.42Å
147	K	85.2	Confident	86.1	Confident	117 Å²	117	46.4 Å²	46.4	51%	0.509	21%	0.213	S	C	.	.	S	Bend	trans	-76.9	-16.2	169.3	65.9	-171.2	175.8	-164.2	0	113.1	F120	F120-K147 WeakPolarHBondContact CE2-O 3.41Å
148	D	79.3	Confident	85.8	Confident	42 Å²	42	48.5 Å²	48.5	23%	0.225	22%	0.223	C	C	.	.			trans	-103.9	104.9	-177.4	-168.7	-11.4	0	0	0	112.1	S146 R150 K151 L152	S146-D148 VanDerWaalsContact C-N 3.3Å; S146-D148 PolarHBondContact OG-N 3.42Å; D148-R150 VanDerWaalsContact C-N 3.26Å; D148-R150 PolarHBondContact O-N 2.94Å; D148-R150 WeakPolarHBondContact OD1-CB 3.48Å; D148-R150 PolarHBondContact OD1-N 3.35Å; D148-R150 IonicContact OD1-NE 2.97Å; D148-K151 HydrophobicContact CB-CB 3.86Å; D148-K151 WeakPolarHBondContact O-CB 3.41Å; D148-K151 PolarHBondContact O-N 3.33Å; D148-K151 PolarHBondContact OD1-N 3.19Å; D148-L152 PolarHBondContact O-N 2.94Å
149	R	82.2	Confident	85.8	Confident	151 Å²	151	48.1 Å²	48.1	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-57.7	-37.4	174.3	-176.3	177.9	171.3	-177.7	-1.3	112.9	F120 K151 L152 A153	F120-R149 HydrophobicContact CD1-CB 3.77Å; F120-R149 HydrophobicContact CD1-CG 3.9Å; F120-R149 HydrophobicContact CD2-CB 3.79Å; F120-R149 HydrophobicContact CE1-CB 3.78Å; F120-R149 HydrophobicContact CE1-CG 4Å; F120-R149 HydrophobicContact CE2-CB 3.8Å; F120-R149 HydrophobicContact CG-CB 3.78Å; F120-R149 HydrophobicContact CG-CG 4.31Å; F120-R149 HydrophobicContact CZ-CB 3.8Å; F120-R149 HydrophobicContact CZ-CG 4.49Å; R149-K151 VanDerWaalsContact C-N 3.35Å; R149-L152 PolarHBondContact O-N 2.66Å; R149-A153 WeakPolarHBondContact O-CB 3.49Å; R149-A153 PolarHBondContact O-N 3.05Å
150	R	71.9	Confident	85.6	Confident	168 Å²	168	47.6 Å²	47.6	63%	0.634	21%	0.214	S	C	*	.	H	α-helix	trans	-67.4	-42.1	-176.8	-68.5	176.5	-78.7	-175.8	-7.8	109.8	D148 L152 A153 Y154	D148-R150 VanDerWaalsContact C-N 3.26Å; D148-R150 PolarHBondContact O-N 2.94Å; D148-R150 WeakPolarHBondContact OD1-CB 3.48Å; D148-R150 PolarHBondContact OD1-N 3.35Å; D148-R150 IonicContact OD1-NE 2.97Å; R150-L152 VanDerWaalsContact C-N 3.34Å; R150-L152 PolarHBondContact O-N 3.18Å; R150-A153 PolarHBondContact O-N 2.78Å; R150-Y154 VanDerWaalsContact O-CD2 3.24Å; R150-Y154 WeakPolarHBondContact O-CD2 3.42Å; R150-Y154 PolarHBondContact O-N 3.23Å
151	K	79.7	Confident	85.3	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-50.8	-53	172.3	175.8	172.7	176.3	174.7	0	112.1	D41 Y144 D148 R149 A153 Y154 L155 Y312 Y313 W315	D41-K151 VanDerWaalsContact OD2-CE 3.3Å; D41-K151 WeakPolarHBondContact OD2-CE 3.46Å; D41-K151 IonicContact OD2-NZ 2.77Å; D41-K151 PolarHBondContact OD2-NZ 2.89Å; Y144-K151 PolarHBondContact OH-NZ 3.23Å; D148-K151 HydrophobicContact CB-CB 3.86Å; D148-K151 WeakPolarHBondContact O-CB 3.41Å; D148-K151 PolarHBondContact O-N 3.33Å; D148-K151 PolarHBondContact OD1-N 3.19Å; R149-K151 VanDerWaalsContact C-N 3.35Å; K151-A153 PolarHBondContact O-N 2.79Å; K151-Y154 PolarHBondContact O-N 2.95Å; K151-L155 HydrophobicContact CD-CD1 4.41Å; K151-L155 HydrophobicContact CG-CD1 3.65Å; K151-L155 HydrophobicContact CG-CG 4.44Å; K151-L155 VanDerWaalsContact O-CB 3.32Å; K151-L155 WeakPolarHBondContact O-CB 3.22Å; K151-L155 VanDerWaalsContact O-CG 3.31Å; K151-L155 WeakPolarHBondContact O-CG 3.23Å; K151-L155 PolarHBondContact O-N 3.41Å; K151-Y312 WeakPolarHBondContact CE-O 3.22Å; K151-Y312 PolarHBondContact NZ-O 2.98Å; K151-Y313 PolarHBondContact NZ-O 3.33Å; K151-W315 HydrophobicContact CB-CD2 4.29Å; K151-W315 HydrophobicContact CB-CE3 3.43Å; K151-W315 VanDerWaalsContact CB-CE3 3.43Å; K151-W315 HydrophobicContact CB-CH2 4.26Å; K151-W315 HydrophobicContact CB-CZ3 3.41Å; K151-W315 VanDerWaalsContact CB-CZ3 3.41Å; K151-W315 HydrophobicContact CD-CB 4.31Å; K151-W315 HydrophobicContact CD-CE3 3.93Å; K151-W315 HydrophobicContact CG-CB 4.42Å; K151-W315 HydrophobicContact CG-CD2 3.89Å; K151-W315 HydrophobicContact CG-CE3 3.41Å; K151-W315 VanDerWaalsContact CG-CE3 3.41Å; K151-W315 HydrophobicContact CG-CG 4.35Å; K151-W315 HydrophobicContact CG-CZ3 3.95Å
152	L	83.8	Confident	85.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-39.5	-179.4	-59.2	-170	0	0	0	112.5	M111 F120 I122 Y144 D148 R149 R150 Y154 L155 F156 L159	M111-L152 HydrophobicContact SD-CB 3.99Å; F120-L152 HydrophobicContact CB-CD1 3.56Å; F120-L152 WeakPolarHBondContact O-CD1 3.46Å; I122-L152 HydrophobicContact CD1-CB 3.96Å; I122-L152 HydrophobicContact CD1-CD2 4.15Å; I122-L152 HydrophobicContact CG1-CB 4.08Å; I122-L152 HydrophobicContact CG1-CD1 4.4Å; I122-L152 HydrophobicContact CG1-CD2 4.45Å; Y144-L152 HydrophobicContact CD1-CD2 3.55Å; Y144-L152 HydrophobicContact CE1-CD2 3.92Å; D148-L152 PolarHBondContact O-N 2.94Å; R149-L152 PolarHBondContact O-N 2.66Å; R150-L152 VanDerWaalsContact C-N 3.34Å; R150-L152 PolarHBondContact O-N 3.18Å; L152-Y154 VanDerWaalsContact C-N 3.31Å; L152-Y154 PolarHBondContact O-N 3.28Å; L152-L155 PolarHBondContact O-N 3.42Å; L152-F156 PolarHBondContact O-N 3.4Å; L152-L159 HydrophobicContact CD2-CD1 4.43Å
153	A	76.5	Confident	85.2	Confident	55 Å²	55	52.7 Å²	52.7	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-38.7	177.8	0	0	0	0	0	112.7	M111 R149 R150 K151	M111-A153 HydrophobicContact SD-CB 4.43Å; R149-A153 WeakPolarHBondContact O-CB 3.49Å; R149-A153 PolarHBondContact O-N 3.05Å; R150-A153 PolarHBondContact O-N 2.78Å; K151-A153 PolarHBondContact O-N 2.79Å
154	Y	74.9	Confident	85	Confident	148 Å²	148	54 Å²	54	58%	0.58	25%	0.248	S	C	*	.	H	α-helix	trans	-75	-40.2	176.9	-85	-74.8	0	0	0	113	R150 K151 L152 F156 W315 H322	R150-Y154 VanDerWaalsContact O-CD2 3.24Å; R150-Y154 WeakPolarHBondContact O-CD2 3.42Å; R150-Y154 PolarHBondContact O-N 3.23Å; K151-Y154 PolarHBondContact O-N 2.95Å; L152-Y154 VanDerWaalsContact C-N 3.31Å; L152-Y154 PolarHBondContact O-N 3.28Å; Y154-F156 PolarHBondContact O-N 3.22Å; Y154-W315 VanDerWaalsContact CB-CZ2 3.42Å; Y154-W315 AromaticContact CD2-CH2 3.69Å; Y154-W315 HydrophobicContact CD2-CH2 3.69Å; Y154-W315 AromaticContact CD2-CZ2 3.79Å; Y154-W315 HydrophobicContact CD2-CZ2 3.79Å; Y154-W315 HydrophobicContact CG-CH2 4.12Å; Y154-W315 AromaticContact CG-CZ2 3.73Å; Y154-W315 HydrophobicContact CG-CZ2 3.73Å; Y154-H322 AromaticContact CD1-NE2 3.93Å
155	L	81.8	Confident	84.8	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-83.1	1.9	-176.7	-68	-180	0	0	0	113.6	K151 L152 E157 D158 L159 Y312 W315	K151-L155 HydrophobicContact CD-CD1 4.41Å; K151-L155 HydrophobicContact CG-CD1 3.65Å; K151-L155 HydrophobicContact CG-CG 4.44Å; K151-L155 VanDerWaalsContact O-CB 3.32Å; K151-L155 WeakPolarHBondContact O-CB 3.22Å; K151-L155 VanDerWaalsContact O-CG 3.31Å; K151-L155 WeakPolarHBondContact O-CG 3.23Å; K151-L155 PolarHBondContact O-N 3.41Å; L152-L155 PolarHBondContact O-N 3.42Å; L155-E157 PolarHBondContact O-N 3.45Å; L155-D158 PolarHBondContact O-N 3.3Å; L155-L159 HydrophobicContact CB-CD1 3.67Å; L155-L159 HydrophobicContact CB-CG 4.12Å; L155-L159 HydrophobicContact CD1-CD1 4.22Å; L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 PolarHBondContact O-N 2.84Å; L155-Y312 HydrophobicContact CD1-CD1 3.57Å; L155-Y312 HydrophobicContact CD1-CE1 4.39Å; L155-Y312 HydrophobicContact CD1-CG 4.01Å; L155-Y312 HydrophobicContact CD2-CD1 3.58Å; L155-Y312 HydrophobicContact CD2-CE1 3.67Å; L155-Y312 HydrophobicContact CG-CD1 4.14Å; L155-W315 HydrophobicContact CD1-CB 3.98Å; L155-W315 HydrophobicContact CD1-CD2 4.24Å; L155-W315 HydrophobicContact CD1-CG 3.77Å; L155-W315 HydrophobicContact CD2-CG 4.09Å; L155-W315 HydrophobicContact CG-CD2 4.31Å; L155-W315 HydrophobicContact CG-CG 4.07Å
156	F	83.5	Confident	84.6	Confident	52 Å²	52	63.3 Å²	63.3	23%	0.228	29%	0.294	C	S	.	.	H	α-helix	trans	-54	-53.3	-168.5	-175	-95.3	0	0	0	112.8	Q109 M111 I122 L152 Y154 H160	Q109-F156 HydrophobicContact CB-CZ 4.23Å; M111-F156 HydrophobicContact CB-CD2 4.44Å; M111-F156 HydrophobicContact CB-CE2 4.31Å; I122-F156 HydrophobicContact CD1-CB 4.48Å; I122-F156 HydrophobicContact CD1-CD2 4.04Å; I122-F156 HydrophobicContact CG1-CD2 4.02Å; I122-F156 HydrophobicContact CG2-CD2 4.32Å; I122-F156 HydrophobicContact CG2-CE2 4.23Å; L152-F156 PolarHBondContact O-N 3.4Å; Y154-F156 PolarHBondContact O-N 3.22Å; F156-H160 WeakPolarHBondContact O-CB 3.39Å; F156-H160 PolarHBondContact O-N 3.5Å
157	E	82.1	Confident	84.8	Confident	131 Å²	131	63.3 Å²	63.3	61%	0.612	29%	0.294	S	S	*	.	H	α-helix	trans	-66.7	-44.5	-178.9	-64.5	-64.1	153.7	0	0	111.9	L155 H160 Q161	L155-E157 PolarHBondContact O-N 3.45Å; E157-H160 WeakPolarHBondContact O-CB 3.35Å; E157-H160 PolarHBondContact O-N 3.47Å; E157-Q161 WeakPolarHBondContact O-CB 3.37Å; E157-Q161 PolarHBondContact O-N 3.04Å
158	D	83.8	Confident	85.1	Confident	78 Å²	78	57.8 Å²	57.8	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-67.5	-44	-178	-64.8	-34.6	0	0	0	112.1	L155 H160 Q161 D162 Y312	L155-D158 PolarHBondContact O-N 3.3Å; D158-H160 VanDerWaalsContact C-N 3.34Å; D158-Q161 PolarHBondContact O-N 2.97Å; D158-D162 WeakPolarHBondContact O-CB 3.35Å; D158-D162 PolarHBondContact O-N 3.04Å; D158-Y312 HydrophobicContact CB-CE1 4.27Å; D158-Y312 WeakPolarHBondContact CB-OH 3.37Å; D158-Y312 PolarHBondContact O-OH 3.26Å
159	L	88.5	Confident	85.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-41.4	175.6	-88.4	167.1	0	0	0	111.1	I122 Y144 L152 L155 D162 F163 I308 Y312	I122-L159 HydrophobicContact CD1-CB 4.29Å; I122-L159 HydrophobicContact CD1-CD1 3.69Å; Y144-L159 HydrophobicContact CD1-CD1 4.16Å; Y144-L159 HydrophobicContact CD2-CD1 4.33Å; Y144-L159 HydrophobicContact CD2-CD2 3.67Å; Y144-L159 HydrophobicContact CE2-CD2 4.1Å; Y144-L159 HydrophobicContact CG-CD1 4.04Å; Y144-L159 HydrophobicContact CG-CD2 4.11Å; L152-L159 HydrophobicContact CD2-CD1 4.43Å; L155-L159 HydrophobicContact CB-CD1 3.67Å; L155-L159 HydrophobicContact CB-CG 4.12Å; L155-L159 HydrophobicContact CD1-CD1 4.22Å; L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 PolarHBondContact O-N 2.84Å; L159-D162 PolarHBondContact O-N 2.91Å; L159-F163 HydrophobicContact CD2-CE1 4.1Å; L159-F163 VanDerWaalsContact O-CB 3.28Å; L159-F163 WeakPolarHBondContact O-CB 3.14Å; L159-F163 WeakPolarHBondContact O-CD1 3.39Å; L159-F163 WeakPolarHBondContact O-CG 3.36Å; L159-F163 PolarHBondContact O-N 3.11Å; L159-I308 HydrophobicContact CD2-CG2 3.98Å; L159-Y312 HydrophobicContact CD2-CD2 3.32Å; L159-Y312 HydrophobicContact CD2-CE2 3.49Å; L159-Y312 VanDerWaalsContact CD2-CE2 3.49Å; L159-Y312 HydrophobicContact CD2-CG 4.06Å; L159-Y312 HydrophobicContact CG-CD2 3.92Å; L159-Y312 HydrophobicContact CG-CE2 3.9Å; L159-Y312 HydrophobicContact CG-CG 4.3Å
160	H	86.6	Confident	86.2	Confident	40 Å²	40	53.2 Å²	53.2	19%	0.185	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-48.9	175.5	168.5	-58.5	0	0	0	111	Q109 F156 E157 D158 F163 S164	Q109-H160 PolarHBondContact NE2-CD2 3.28Å; Q109-H160 PolarHBondContact NE2-CE1 2.99Å; Q109-H160 VanDerWaalsContact NE2-CE1 3.34Å; Q109-H160 PolarHBondContact NE2-NE2 3.19Å; Q109-H160 PolarHBondContact OE1-CD2 3.02Å; Q109-H160 PolarHBondContact OE1-NE2 2.86Å; F156-H160 WeakPolarHBondContact O-CB 3.39Å; F156-H160 PolarHBondContact O-N 3.5Å; E157-H160 WeakPolarHBondContact O-CB 3.35Å; E157-H160 PolarHBondContact O-N 3.47Å; D158-H160 VanDerWaalsContact C-N 3.34Å; H160-F163 PolarHBondContact O-N 3.16Å; H160-S164 WeakPolarHBondContact O-CB 3.46Å; H160-S164 PolarHBondContact O-N 3.12Å
161	Q	87.5	Confident	87.1	Confident	87 Å²	87	45.3 Å²	45.3	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-48.4	-179.9	-169.6	67.9	6.7	0	0	110.9	E157 D158 F163 S164 E165	E157-Q161 WeakPolarHBondContact O-CB 3.37Å; E157-Q161 PolarHBondContact O-N 3.04Å; D158-Q161 PolarHBondContact O-N 2.97Å; Q161-F163 PolarHBondContact O-N 3.24Å; Q161-S164 PolarHBondContact O-N 3.18Å; Q161-E165 HydrophobicContact CG-CG 4.42Å; Q161-E165 PolarHBondContact NE2-OE1 3.45Å; Q161-E165 PolarHBondContact NE2-OE2 3.16Å; Q161-E165 WeakPolarHBondContact O-CB 3.44Å; Q161-E165 PolarHBondContact O-N 3.45Å
162	D	91.1	Very high	87.7	Confident	20 Å²	20	45.9 Å²	45.9	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-42.2	178	-78.2	-13.5	0	0	0	111.9	D158 L159 S164 L166 I308 K311 Y312	D158-D162 WeakPolarHBondContact O-CB 3.35Å; D158-D162 PolarHBondContact O-N 3.04Å; L159-D162 PolarHBondContact O-N 2.91Å; D162-S164 VanDerWaalsContact C-N 3.35Å; D162-L166 HydrophobicContact CB-CD1 4.09Å; D162-L166 WeakPolarHBondContact O-CA 3.15Å; D162-L166 WeakPolarHBondContact O-CB 3.46Å; D162-L166 PolarHBondContact O-N 2.9Å; D162-I308 HydrophobicContact CB-CD1 4.11Å; D162-I308 HydrophobicContact CB-CG1 4.27Å; D162-K311 IonicContact OD1-NZ 3.74Å; D162-K311 PolarHBondContact OD1-NZ 3.45Å; D162-K311 IonicContact OD2-NZ 3.83Å; D162-K311 PolarHBondContact OD2-NZ 3.18Å; D162-Y312 VanDerWaalsContact OD2-CE2 3.23Å; D162-Y312 WeakPolarHBondContact OD2-CE2 3.49Å; D162-Y312 VanDerWaalsContact OD2-CZ 3.31Å; D162-Y312 PolarHBondContact OD2-OH 3.22Å
163	F	93.5	Very high	88	Confident	1 Å²	1	49 Å²	49	0%	0.004	24%	0.241	C	C	.	.	I	π-helix	trans	-62.5	-43.3	176.2	-83.2	19.1	0	0	0	111.3	I43 Q124 L142 Y144 L159 H160 Q161 L167 T168 I308	I43-F163 HydrophobicContact CD1-CE1 4.12Å; I43-F163 HydrophobicContact CD1-CZ 4.38Å; I43-F163 HydrophobicContact CG1-CZ 4.43Å; I43-F163 HydrophobicContact CG2-CZ 4.43Å; Q124-F163 HydrophobicContact CB-CD2 4.35Å; L142-F163 HydrophobicContact CB-CD2 4.25Å; L142-F163 HydrophobicContact CB-CE2 4.19Å; L142-F163 HydrophobicContact CD2-CB 4.09Å; L142-F163 HydrophobicContact CD2-CD1 3.95Å; L142-F163 HydrophobicContact CD2-CD2 3.37Å; L142-F163 HydrophobicContact CD2-CE1 4.1Å; L142-F163 HydrophobicContact CD2-CE2 3.56Å; L142-F163 HydrophobicContact CD2-CG 3.55Å; L142-F163 HydrophobicContact CD2-CZ 3.88Å; L142-F163 HydrophobicContact CG-CD2 3.82Å; L142-F163 HydrophobicContact CG-CE2 3.54Å; L142-F163 HydrophobicContact CG-CG 4.45Å; L142-F163 HydrophobicContact CG-CZ 3.96Å; Y144-F163 HydrophobicContact CD2-CZ 4.49Å; L159-F163 HydrophobicContact CD2-CE1 4.1Å; L159-F163 VanDerWaalsContact O-CB 3.28Å; L159-F163 WeakPolarHBondContact O-CB 3.14Å; L159-F163 WeakPolarHBondContact O-CD1 3.39Å; L159-F163 WeakPolarHBondContact O-CG 3.36Å; L159-F163 PolarHBondContact O-N 3.11Å; H160-F163 PolarHBondContact O-N 3.16Å; Q161-F163 PolarHBondContact O-N 3.24Å; F163-L167 HydrophobicContact CD1-CD1 3.95Å; F163-L167 HydrophobicContact CE1-CD1 4.23Å; F163-L167 HydrophobicContact CG-CD1 4.48Å; F163-L167 VanDerWaalsContact O-CB 3.29Å; F163-L167 WeakPolarHBondContact O-CB 3.12Å; F163-L167 PolarHBondContact O-N 2.86Å; F163-T168 PolarHBondContact O-N 2.9Å; F163-T168 PolarHBondContact O-OG1 3.24Å; F163-I308 HydrophobicContact CD1-CD1 4.48Å; F163-I308 HydrophobicContact CD1-CG2 4.35Å; F163-I308 HydrophobicContact CE1-CG2 3.96Å
164	S	91	Very high	88.7	Confident	27 Å²	27	46.4 Å²	46.4	19%	0.189	22%	0.219	C	C	.	.	I	π-helix	trans	-65.8	-57	179.7	-173	0	0	0	0	111.7	H160 Q161 D162 T168 E169	H160-S164 WeakPolarHBondContact O-CB 3.46Å; H160-S164 PolarHBondContact O-N 3.12Å; Q161-S164 PolarHBondContact O-N 3.18Å; D162-S164 VanDerWaalsContact C-N 3.35Å; S164-T168 WeakPolarHBondContact CA-OG1 3.21Å; S164-T168 PolarHBondContact O-OG1 3.32Å; S164-E169 VanDerWaalsContact O-CB 3.27Å; S164-E169 WeakPolarHBondContact O-CB 3.32Å; S164-E169 WeakPolarHBondContact O-CG 3.27Å; S164-E169 PolarHBondContact O-N 2.63Å
165	E	91.2	Very high	89.6	Confident	108 Å²	108	39.4 Å²	39.4	51%	0.505	19%	0.192	S	C	.	.	I	π-helix	trans	-76.2	-41.5	-170.5	-67.2	-171.3	150.3	0	0	113.5	Q161 P170	Q161-E165 HydrophobicContact CG-CG 4.42Å; Q161-E165 PolarHBondContact NE2-OE1 3.45Å; Q161-E165 PolarHBondContact NE2-OE2 3.16Å; Q161-E165 WeakPolarHBondContact O-CB 3.44Å; Q161-E165 PolarHBondContact O-N 3.45Å; E165-P170 VanDerWaalsContact O-CD 3.25Å; E165-P170 WeakPolarHBondContact O-CD 3.48Å; E165-P170 WeakPolarHBondContact O-CG 3.21Å
166	L	92.4	Very high	90.1	Very high	89 Å²	89	40.7 Å²	40.7	47%	0.466	20%	0.198	S	C	.	.	I	π-helix	trans	-93.4	-22	-172.1	-52.2	176.2	0	0	0	112.7	D162 I308	D162-L166 HydrophobicContact CB-CD1 4.09Å; D162-L166 WeakPolarHBondContact O-CA 3.15Å; D162-L166 WeakPolarHBondContact O-CB 3.46Å; D162-L166 PolarHBondContact O-N 2.9Å; L166-I308 HydrophobicContact CB-CD1 4.28Å; L166-I308 HydrophobicContact CD1-CD1 4.24Å; L166-I308 HydrophobicContact CD1-CG1 4.36Å
167	L	94	Very high	90.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	20%	0.203	C	C	.	.	I	π-helix	trans	-116.8	-66.5	-174.4	-58	179.6	0	0	0	112.7	L142 F163 L171 F301 A304 I308	L142-L167 HydrophobicContact CD2-CB 4.15Å; L142-L167 HydrophobicContact CD2-CD1 3.39Å; L142-L167 HydrophobicContact CD2-CG 4.42Å; F163-L167 HydrophobicContact CD1-CD1 3.95Å; F163-L167 HydrophobicContact CE1-CD1 4.23Å; F163-L167 HydrophobicContact CG-CD1 4.48Å; F163-L167 VanDerWaalsContact O-CB 3.29Å; F163-L167 WeakPolarHBondContact O-CB 3.12Å; F163-L167 PolarHBondContact O-N 2.86Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 PolarHBondContact O-N 3.17Å; L167-F301 HydrophobicContact CB-CD2 4.04Å; L167-F301 HydrophobicContact CB-CE2 3.81Å; L167-F301 HydrophobicContact CD2-CD2 3.85Å; L167-F301 HydrophobicContact CD2-CE2 4.1Å; L167-F301 HydrophobicContact CG-CE2 4.42Å; L167-A304 HydrophobicContact CD2-CB 3.36Å; L167-I308 HydrophobicContact CD1-CD1 3.57Å; L167-I308 HydrophobicContact CD2-CD1 4.11Å; L167-I308 HydrophobicContact CG-CD1 3.68Å
168	T	92.8	Very high	90.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-75.4	-40.4	-167.9	58.1	0	0	0	0	113.6	Q124 F126 F163 S164 L171 K172	Q124-T168 PolarHBondContact NE2-OG1 3.19Å; F126-T168 HydrophobicContact CD1-CG2 3.67Å; F126-T168 HydrophobicContact CE1-CG2 3.88Å; F126-T168 HydrophobicContact CG-CG2 4.02Å; F126-T168 HydrophobicContact CZ-CG2 4.37Å; F163-T168 PolarHBondContact O-N 2.9Å; F163-T168 PolarHBondContact O-OG1 3.24Å; S164-T168 WeakPolarHBondContact CA-OG1 3.21Å; S164-T168 PolarHBondContact O-OG1 3.32Å; T168-L171 PolarHBondContact O-N 3.45Å; T168-K172 WeakPolarHBondContact O-CB 3.38Å; T168-K172 VanDerWaalsContact O-CG 3.29Å; T168-K172 WeakPolarHBondContact O-CG 3.25Å; T168-K172 PolarHBondContact O-N 3.4Å
169	E	91.1	Very high	91.3	Very high	62 Å²	62	33 Å²	33	29%	0.29	16%	0.156	S	C	.	.	H	α-helix	trans	-67.6	-44.8	-178.2	-77.6	-58.1	128.5	0	0	113.6	S164 L171 K172 R173	S164-E169 VanDerWaalsContact O-CB 3.27Å; S164-E169 WeakPolarHBondContact O-CB 3.32Å; S164-E169 WeakPolarHBondContact O-CG 3.27Å; S164-E169 PolarHBondContact O-N 2.63Å; E169-L171 PolarHBondContact O-N 3Å; E169-K172 PolarHBondContact O-N 3.39Å; E169-K172 IonicContact OE1-NZ 2.74Å; E169-K172 PolarHBondContact OE1-NZ 2.85Å; E169-R173 VanDerWaalsContact O-CB 3.3Å; E169-R173 WeakPolarHBondContact O-CB 3.26Å; E169-R173 PolarHBondContact O-N 3.4Å
170	P	91.7	Very high	91.5	Very high	36 Å²	36	34.6 Å²	34.6	23%	0.234	16%	0.164	C	C	.	.	H	α-helix	trans	-56.9	-41.4	171.4	-26	35.4	0	0	0	112.2	E165 R173 C174	E165-P170 VanDerWaalsContact O-CD 3.25Å; E165-P170 WeakPolarHBondContact O-CD 3.48Å; E165-P170 WeakPolarHBondContact O-CG 3.21Å; P170-R173 PolarHBondContact O-N 3.33Å; P170-C174 WeakPolarHBondContact O-CB 3.31Å; P170-C174 PolarHBondContact O-N 2.83Å
171	L	92.3	Very high	91.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-69.1	-46.4	-177.6	-156.5	145.2	0	0	0	112	F126 L128 L167 T168 E169 R173 C174 N175 L290 A294 V297 F301	F126-L171 HydrophobicContact CE2-CD2 4.32Å; L128-L171 HydrophobicContact CD1-CD2 3.32Å; L128-L171 HydrophobicContact CD2-CD2 3.49Å; L128-L171 VanDerWaalsContact CD2-CD2 3.49Å; L128-L171 HydrophobicContact CG-CD2 4.01Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 PolarHBondContact O-N 3.17Å; T168-L171 PolarHBondContact O-N 3.45Å; E169-L171 PolarHBondContact O-N 3Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 2.78Å; L171-C174 PolarHBondContact O-N 3.3Å; L171-N175 VanDerWaalsContact O-CB 3.31Å; L171-N175 WeakPolarHBondContact O-CB 3.32Å; L171-N175 PolarHBondContact O-N 3.21Å; L171-L290 HydrophobicContact CD1-CD1 4.18Å; L171-L290 HydrophobicContact CD1-CD2 4.12Å; L171-L290 HydrophobicContact CD1-CG 4.34Å; L171-L290 HydrophobicContact CD2-CD1 3.97Å; L171-A294 HydrophobicContact CD2-CB 4.08Å; L171-A294 HydrophobicContact CG-CB 3.86Å; L171-V297 HydrophobicContact CG-CG2 4.48Å; L171-F301 HydrophobicContact CD1-CB 4.3Å; L171-F301 HydrophobicContact CD1-CD1 4.28Å; L171-F301 HydrophobicContact CD1-CD2 3.41Å; L171-F301 VanDerWaalsContact CD1-CD2 3.41Å; L171-F301 HydrophobicContact CD1-CE2 3.67Å; L171-F301 HydrophobicContact CD1-CG 3.74Å; L171-F301 HydrophobicContact CD1-CZ 4.24Å
172	K	91.8	Very high	92	Very high	20 Å²	20	32.7 Å²	32.7	9%	0.087	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-43.4	172.3	-76.3	169.6	175.5	172.8	0	112	D107 L128 T168 E169 N175 K176	D107-K172 IonicContact OD1-NZ 3.33Å; D107-K172 PolarHBondContact OD1-NZ 3.4Å; D107-K172 IonicContact OD2-NZ 3.57Å; D107-K172 PolarHBondContact OD2-NZ 3.26Å; L128-K172 HydrophobicContact CD2-CG 4.21Å; T168-K172 WeakPolarHBondContact O-CB 3.38Å; T168-K172 VanDerWaalsContact O-CG 3.29Å; T168-K172 WeakPolarHBondContact O-CG 3.25Å; T168-K172 PolarHBondContact O-N 3.4Å; E169-K172 PolarHBondContact O-N 3.39Å; E169-K172 IonicContact OE1-NZ 2.74Å; E169-K172 PolarHBondContact OE1-NZ 2.85Å; K172-N175 PolarHBondContact O-N 2.86Å; K172-K176 WeakPolarHBondContact O-CB 3.02Å; K172-K176 VanDerWaalsContact O-CG 3.28Å; K172-K176 WeakPolarHBondContact O-CG 3.35Å; K172-K176 PolarHBondContact O-N 3.25Å
173	R	89.5	Confident	92.1	Very high	66 Å²	66	31.7 Å²	31.7	25%	0.249	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-43.7	-179.1	-172.7	177.1	-77.6	108.2	-4.6	111.7	E169 P170 L171 R177	E169-R173 VanDerWaalsContact O-CB 3.3Å; E169-R173 WeakPolarHBondContact O-CB 3.26Å; E169-R173 PolarHBondContact O-N 3.4Å; P170-R173 PolarHBondContact O-N 3.33Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 2.78Å; R173-R177 WeakPolarHBondContact O-CG 3.19Å; R173-R177 PolarHBondContact O-N 2.83Å
174	C	91.9	Very high	92.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-48.2	173.9	180	0	0	0	0	111.2	P170 L171 K176 R177 L178 H259 A294 V297	P170-C174 WeakPolarHBondContact O-CB 3.31Å; P170-C174 PolarHBondContact O-N 2.83Å; L171-C174 PolarHBondContact O-N 3.3Å; C174-K176 PolarHBondContact O-N 2.81Å; C174-R177 PolarHBondContact O-N 3.01Å; C174-L178 PolarHBondContact O-N 3.11Å; C174-H259 PolarHBondContact O-CE1 3.22Å; C174-A294 HydrophobicContact CB-CB 4.18Å; C174-V297 HydrophobicContact CB-CG1 4.16Å; C174-V297 HydrophobicContact CB-CG2 3.69Å
175	N	93.4	Very high	92.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-45.1	179.3	174	-105.3	0	0	0	113.2	L128 Y129 L171 K172 R177 L178 F179 L293	L128-N175 HydrophobicContact CD2-CB 4.05Å; Y129-N175 PolarHBondContact N-OD1 3.25Å; Y129-N175 PolarHBondContact O-ND2 3.03Å; L171-N175 VanDerWaalsContact O-CB 3.31Å; L171-N175 WeakPolarHBondContact O-CB 3.32Å; L171-N175 PolarHBondContact O-N 3.21Å; K172-N175 PolarHBondContact O-N 2.86Å; N175-R177 VanDerWaalsContact C-N 3.3Å; N175-R177 PolarHBondContact O-N 3.13Å; N175-L178 PolarHBondContact O-N 2.95Å; N175-F179 VanDerWaalsContact O-CB 3.25Å; N175-F179 WeakPolarHBondContact O-CB 3.24Å; N175-F179 PolarHBondContact O-N 3.23Å; N175-L293 WeakPolarHBondContact CA-O 3.15Å; N175-L293 WeakPolarHBondContact CB-O 3.42Å; N175-L293 PolarHBondContact ND2-O 2.95Å
176	K	91.9	Very high	92.3	Very high	33 Å²	33	30.7 Å²	30.7	14%	0.143	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-41.3	176.3	-77.4	172.8	-177.2	176.3	0	112.1	Y129 K172 C174 L180 I239 D242 L243	Y129-K176 HydrophobicContact CD2-CG 4Å; Y129-K176 HydrophobicContact CE2-CG 3.84Å; K172-K176 WeakPolarHBondContact O-CB 3.02Å; K172-K176 VanDerWaalsContact O-CG 3.28Å; K172-K176 WeakPolarHBondContact O-CG 3.35Å; K172-K176 PolarHBondContact O-N 3.25Å; C174-K176 PolarHBondContact O-N 2.81Å; K176-L180 WeakPolarHBondContact O-CB 3.31Å; K176-L180 PolarHBondContact O-N 3.24Å; K176-I239 HydrophobicContact CB-CG2 4.17Å; K176-I239 HydrophobicContact CG-CG2 4.46Å; K176-D242 WeakPolarHBondContact CD-OD2 3.19Å; K176-D242 WeakPolarHBondContact CE-OD2 3.29Å; K176-D242 IonicContact NZ-OD2 3.93Å; K176-D242 PolarHBondContact NZ-OD2 3.04Å; K176-L243 HydrophobicContact CB-CD1 4.29Å; K176-L243 HydrophobicContact CB-CD2 3.99Å; K176-L243 HydrophobicContact CB-CG 4.24Å
177	R	90.8	Very high	92.3	Very high	90 Å²	90	27.3 Å²	27.3	34%	0.34	13%	0.127	S	C	.	.	H	α-helix	trans	-66.7	-45.7	177.6	-75.8	176.3	176.5	179.6	2.1	112.1	R173 C174 N175 K181 L243 S253 C255	R173-R177 WeakPolarHBondContact O-CG 3.19Å; R173-R177 PolarHBondContact O-N 2.83Å; C174-R177 PolarHBondContact O-N 3.01Å; N175-R177 VanDerWaalsContact C-N 3.3Å; N175-R177 PolarHBondContact O-N 3.13Å; R177-K181 PolarHBondContact O-N 3.26Å; R177-L243 HydrophobicContact CG-CD1 4.29Å; R177-L243 HydrophobicContact CG-CD2 4.07Å; R177-S253 PolarHBondContact NH1-OG 3.16Å; R177-C255 PolarHBondContact NH1-O 2.83Å; R177-C255 PolarHBondContact NH1-SG 3.09Å; R177-C255 VanDerWaalsContact NH1-SG 3.37Å
178	L	91.8	Very high	92.3	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-51.9	175.5	173.5	63.9	0	0	0	109.9	C174 N175 L180 K181 E182 H259 V261 A292	C174-L178 PolarHBondContact O-N 3.11Å; N175-L178 PolarHBondContact O-N 2.95Å; L178-L180 VanDerWaalsContact C-N 3.34Å; L178-L180 PolarHBondContact O-N 2.85Å; L178-K181 WeakPolarHBondContact O-CA 3.38Å; L178-K181 WeakPolarHBondContact O-CB 3.08Å; L178-K181 PolarHBondContact O-N 3.24Å; L178-E182 WeakPolarHBondContact O-CG 3.45Å; L178-E182 PolarHBondContact O-N 3.35Å; L178-H259 HydrophobicContact CD1-CB 3.75Å; L178-H259 PolarHBondContact N-ND1 2.86Å; L178-V261 HydrophobicContact CD1-CG2 3.9Å; L178-A292 WeakPolarHBondContact CD2-O 3.12Å
179	F	93.5	Very high	92.2	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-35.9	-177.4	-174.6	-117.1	0	0	0	112.9	Y129 L131 F136 N175 K181 E182 L183 I239	Y129-F179 VanDerWaalsContact CB-CG 3.46Å; Y129-F179 HydrophobicContact CD1-CD1 4.37Å; Y129-F179 HydrophobicContact CD1-CE1 4.15Å; Y129-F179 HydrophobicContact CD2-CD1 4.38Å; Y129-F179 AromaticContact CG-CD1 3.78Å; Y129-F179 HydrophobicContact CG-CD1 3.78Å; Y129-F179 HydrophobicContact CG-CE1 4.01Å; Y129-F179 HydrophobicContact CG-CG 4.41Å; L131-F179 HydrophobicContact CB-CE2 4.19Å; L131-F179 HydrophobicContact CD1-CE2 4.38Å; F136-F179 HydrophobicContact CB-CE1 4.36Å; F136-F179 HydrophobicContact CB-CE2 4.48Å; F136-F179 HydrophobicContact CB-CZ 3.68Å; F136-F179 HydrophobicContact CD1-CZ 4.35Å; F136-F179 HydrophobicContact CG-CZ 4.03Å; N175-F179 VanDerWaalsContact O-CB 3.25Å; N175-F179 WeakPolarHBondContact O-CB 3.24Å; N175-F179 PolarHBondContact O-N 3.23Å; F179-K181 VanDerWaalsContact C-N 3.26Å; F179-K181 PolarHBondContact O-N 3.16Å; F179-E182 HydrophobicContact CD2-CB 4.5Å; F179-E182 WeakPolarHBondContact O-CB 3.49Å; F179-E182 PolarHBondContact O-N 3.01Å; F179-L183 HydrophobicContact CD1-CD1 3.8Å; F179-L183 HydrophobicContact CD1-CG 4.18Å; F179-L183 HydrophobicContact CD2-CG 4.49Å; F179-L183 HydrophobicContact CE1-CD1 3.51Å; F179-L183 HydrophobicContact CE1-CD2 4.03Å; F179-L183 HydrophobicContact CE1-CG 3.87Å; F179-L183 HydrophobicContact CE2-CD2 4.06Å; F179-L183 HydrophobicContact CE2-CG 4.15Å; F179-L183 HydrophobicContact CG-CG 4.49Å; F179-L183 HydrophobicContact CZ-CD1 3.98Å; F179-L183 HydrophobicContact CZ-CD2 3.6Å; F179-L183 HydrophobicContact CZ-CG 3.83Å; F179-L183 VanDerWaalsContact O-CG 3.28Å; F179-L183 WeakPolarHBondContact O-CG 2.96Å; F179-L183 PolarHBondContact O-N 3.3Å; F179-I239 HydrophobicContact CD1-CD1 3.23Å; F179-I239 HydrophobicContact CE1-CD1 3.42Å; F179-I239 VanDerWaalsContact CE1-CD1 3.42Å
180	L	92.4	Very high	92.2	Very high	34 Å²	34	29.4 Å²	29.4	18%	0.178	14%	0.143	C	C	.	.	H	α-helix	trans	-59	-39.1	172.2	-175.3	70	0	0	0	112.1	K176 L178 L183 T184 Y236 I239 R240 L243	K176-L180 WeakPolarHBondContact O-CB 3.31Å; K176-L180 PolarHBondContact O-N 3.24Å; L178-L180 VanDerWaalsContact C-N 3.34Å; L178-L180 PolarHBondContact O-N 2.85Å; L180-L183 PolarHBondContact O-N 3.47Å; L180-T184 PolarHBondContact O-N 3.49Å; L180-T184 VanDerWaalsContact O-N 3.08Å; L180-T184 PolarHBondContact O-OG1 2.93Å; L180-Y236 HydrophobicContact CD1-CD2 3.58Å; L180-Y236 HydrophobicContact CD1-CE2 3.71Å; L180-Y236 HydrophobicContact CD1-CG 4.33Å; L180-Y236 HydrophobicContact CG-CE2 4.38Å; L180-I239 HydrophobicContact CB-CG2 4.23Å; L180-I239 HydrophobicContact CD1-CG2 4.33Å; L180-R240 HydrophobicContact CD1-CB 4.02Å; L180-L243 HydrophobicContact CB-CD1 4.36Å; L180-L243 HydrophobicContact CD2-CD1 3.9Å
181	K	91	Very high	92.1	Very high	82 Å²	82	30.7 Å²	30.7	36%	0.357	15%	0.147	S	C	.	.	H	α-helix	trans	-67.8	-42.9	175.5	-169.9	175.3	170.1	174.2	0	110.9	R177 L178 F179 L183 T184 E185 H259 V261	R177-K181 PolarHBondContact O-N 3.26Å; L178-K181 WeakPolarHBondContact O-CA 3.38Å; L178-K181 WeakPolarHBondContact O-CB 3.08Å; L178-K181 PolarHBondContact O-N 3.24Å; F179-K181 VanDerWaalsContact C-N 3.26Å; F179-K181 PolarHBondContact O-N 3.16Å; K181-L183 VanDerWaalsContact C-N 3.34Å; K181-L183 PolarHBondContact O-N 3.3Å; K181-T184 WeakPolarHBondContact O-CB 3.17Å; K181-T184 PolarHBondContact O-N 3.2Å; K181-T184 VanDerWaalsContact O-N 3.14Å; K181-E185 WeakPolarHBondContact CE-OE1 3.32Å; K181-E185 PolarHBondContact O-N 3.19Å; K181-H259 VanDerWaalsContact CD-O 3.28Å; K181-H259 WeakPolarHBondContact CD-O 3.12Å; K181-H259 WeakPolarHBondContact CE-O 3.24Å; K181-H259 PolarHBondContact NZ-O 2.92Å; K181-V261 HydrophobicContact CB-CG2 3.98Å; K181-V261 HydrophobicContact CD-CG2 3.74Å; K181-V261 HydrophobicContact CG-CG2 3.72Å
182	E	93.1	Very high	92	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-43.6	174.2	-56.5	-159.4	121.5	0	0	112.4	L178 F179 T184 E185 A186 V261 R288	L178-E182 WeakPolarHBondContact O-CG 3.45Å; L178-E182 PolarHBondContact O-N 3.35Å; F179-E182 HydrophobicContact CD2-CB 4.5Å; F179-E182 WeakPolarHBondContact O-CB 3.49Å; F179-E182 PolarHBondContact O-N 3.01Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.2Å; E182-E185 PolarHBondContact O-N 3.26Å; E182-A186 WeakPolarHBondContact O-CB 3.44Å; E182-A186 PolarHBondContact O-N 3.34Å; E182-V261 HydrophobicContact CB-CG1 4.4Å; E182-V261 HydrophobicContact CG-CG1 3.89Å; E182-V261 HydrophobicContact CG-CG2 3.95Å; E182-R288 VanDerWaalsContact CD-NH1 3.3Å; E182-R288 IonicContact OE1-CZ 3.28Å; E182-R288 IonicContact OE1-NH1 3.49Å; E182-R288 PolarHBondContact OE1-NH1 2.88Å; E182-R288 IonicContact OE1-NH2 2.91Å; E182-R288 PolarHBondContact OE1-NH2 3.04Å; E182-R288 IonicContact OE2-NH1 2.65Å; E182-R288 PolarHBondContact OE2-NH1 3.31Å
183	L	93.9	Very high	91.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-37.9	176.6	-69.6	172.8	0	0	0	111.7	L131 F179 L180 K181 A186 L187 I232 A235 Y236 I239	L131-L183 HydrophobicContact CD1-CD2 4.08Å; F179-L183 HydrophobicContact CD1-CD1 3.8Å; F179-L183 HydrophobicContact CD1-CG 4.18Å; F179-L183 HydrophobicContact CD2-CG 4.49Å; F179-L183 HydrophobicContact CE1-CD1 3.51Å; F179-L183 HydrophobicContact CE1-CD2 4.03Å; F179-L183 HydrophobicContact CE1-CG 3.87Å; F179-L183 HydrophobicContact CE2-CD2 4.06Å; F179-L183 HydrophobicContact CE2-CG 4.15Å; F179-L183 HydrophobicContact CG-CG 4.49Å; F179-L183 HydrophobicContact CZ-CD1 3.98Å; F179-L183 HydrophobicContact CZ-CD2 3.6Å; F179-L183 HydrophobicContact CZ-CG 3.83Å; F179-L183 VanDerWaalsContact O-CG 3.28Å; F179-L183 WeakPolarHBondContact O-CG 2.96Å; F179-L183 PolarHBondContact O-N 3.3Å; L180-L183 PolarHBondContact O-N 3.47Å; K181-L183 VanDerWaalsContact C-N 3.34Å; K181-L183 PolarHBondContact O-N 3.3Å; L183-A186 PolarHBondContact O-N 3.45Å; L183-L187 VanDerWaalsContact O-CG 3.28Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 3.19Å; L183-I232 HydrophobicContact CB-CG2 4.33Å; L183-I232 HydrophobicContact CD2-CB 4.34Å; L183-I232 HydrophobicContact CD2-CG1 4.42Å; L183-I232 HydrophobicContact CD2-CG2 3.67Å; L183-A235 HydrophobicContact CD1-CB 4.05Å; L183-A235 HydrophobicContact CD2-CB 4.2Å; L183-Y236 HydrophobicContact CB-CD2 4.3Å; L183-I239 HydrophobicContact CD1-CD1 4.34Å
184	T	92.9	Very high	91.5	Very high	52 Å²	52	31.7 Å²	31.7	32%	0.319	16%	0.16	S	C	.	.	H	α-helix	trans	-64.4	-52.6	178	-53.1	0	0	0	0	110.6	L180 K181 E182 A186 L187 D188 Y236	L180-T184 PolarHBondContact O-N 3.49Å; L180-T184 VanDerWaalsContact O-N 3.08Å; L180-T184 PolarHBondContact O-OG1 2.93Å; K181-T184 WeakPolarHBondContact O-CB 3.17Å; K181-T184 PolarHBondContact O-N 3.2Å; K181-T184 VanDerWaalsContact O-N 3.14Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.2Å; T184-A186 VanDerWaalsContact C-N 3.28Å; T184-A186 PolarHBondContact O-N 2.77Å; T184-L187 PolarHBondContact O-N 3.32Å; T184-D188 PolarHBondContact O-N 3.12Å; T184-D188 VanDerWaalsContact O-N 3.1Å; T184-Y236 WeakPolarHBondContact OG1-CE2 3.44Å
185	E	92.5	Very high	91.2	Very high	62 Å²	62	34.9 Å²	34.9	29%	0.29	18%	0.183	S	C	.	.	H	α-helix	trans	-64.8	-33.4	178.8	-67.5	-179.6	-158.5	0	0	112.1	K181 E182 D188 A189 V261 L263	K181-E185 WeakPolarHBondContact CE-OE1 3.32Å; K181-E185 PolarHBondContact O-N 3.19Å; E182-E185 PolarHBondContact O-N 3.26Å; E185-D188 PolarHBondContact O-N 3.15Å; E185-A189 WeakPolarHBondContact O-CB 3.49Å; E185-A189 PolarHBondContact O-N 3.18Å; E185-V261 WeakPolarHBondContact OE1-CB 3.4Å; E185-V261 WeakPolarHBondContact OE2-CB 3.36Å; E185-V261 WeakPolarHBondContact OE2-CG1 3.26Å; E185-L263 HydrophobicContact CB-CD1 3.6Å
186	A	93.2	Very high	90.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-39.6	174.9	0	0	0	0	0	112.5	L131 E182 L183 T184 A189 L190 I232 L263 W266	L131-A186 HydrophobicContact CD1-CB 4.42Å; L131-A186 HydrophobicContact CD2-CB 4.02Å; E182-A186 WeakPolarHBondContact O-CB 3.44Å; E182-A186 PolarHBondContact O-N 3.34Å; L183-A186 PolarHBondContact O-N 3.45Å; T184-A186 VanDerWaalsContact C-N 3.28Å; T184-A186 PolarHBondContact O-N 2.77Å; A186-A189 PolarHBondContact O-N 3.4Å; A186-L190 WeakPolarHBondContact O-CB 3.24Å; A186-L190 WeakPolarHBondContact O-CG 3.46Å; A186-L190 PolarHBondContact O-N 3.4Å; A186-I232 HydrophobicContact CB-CD1 4.11Å; A186-I232 HydrophobicContact CB-CG2 4.46Å; A186-L263 HydrophobicContact CB-CD1 4.07Å; A186-W266 HydrophobicContact CB-CH2 3.67Å; A186-W266 HydrophobicContact CB-CZ3 3.72Å
187	L	93.9	Very high	90.4	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-44.7	173.9	-74.8	168.8	0	0	0	111.1	L183 T184 A189 L190 N191 Q229 I232 F233 Y236	L183-L187 VanDerWaalsContact O-CG 3.28Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 3.19Å; T184-L187 PolarHBondContact O-N 3.32Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 3.11Å; L187-L190 PolarHBondContact O-N 3.08Å; L187-N191 WeakPolarHBondContact O-CB 3.48Å; L187-N191 PolarHBondContact O-N 3.12Å; L187-N191 PolarHBondContact O-ND2 3.11Å; L187-Q229 HydrophobicContact CD2-CG 3.95Å; L187-I232 HydrophobicContact CD1-CG2 4.31Å; L187-I232 HydrophobicContact CD2-CB 4.21Å; L187-I232 HydrophobicContact CD2-CG2 3.67Å; L187-I232 HydrophobicContact CG-CG2 3.59Å; L187-F233 HydrophobicContact CD1-CD2 4.24Å; L187-F233 HydrophobicContact CD2-CB 4.17Å; L187-Y236 HydrophobicContact CD1-CD2 4.47Å; L187-Y236 HydrophobicContact CD1-CG 4.26Å
188	D	92.4	Very high	90	Very high	94 Å²	94	37.6 Å²	37.6	50%	0.503	20%	0.203	S	C	.	.	H	α-helix	trans	-62.3	-42.3	177.7	-69.8	-22.1	0	0	0	111.8	T184 E185 N191 T192	T184-D188 PolarHBondContact O-N 3.12Å; T184-D188 VanDerWaalsContact O-N 3.1Å; E185-D188 PolarHBondContact O-N 3.15Å; D188-N191 PolarHBondContact O-N 3.34Å; D188-T192 WeakPolarHBondContact O-CB 3.18Å; D188-T192 PolarHBondContact O-N 3.19Å; D188-T192 PolarHBondContact O-OG1 2.99Å
189	A	91.2	Very high	89.6	Confident	14 Å²	14	40.9 Å²	40.9	12%	0.116	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-42.9	175.3	0	0	0	0	0	112.1	E185 A186 L187 T192 L193 I267	E185-A189 WeakPolarHBondContact O-CB 3.49Å; E185-A189 PolarHBondContact O-N 3.18Å; A186-A189 PolarHBondContact O-N 3.4Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 3.11Å; A189-T192 WeakPolarHBondContact O-CB 3Å; A189-T192 PolarHBondContact O-N 2.91Å; A189-L193 WeakPolarHBondContact O-CG 3.35Å; A189-L193 PolarHBondContact O-N 2.98Å; A189-I267 HydrophobicContact CB-CD1 3.74Å; A189-I267 HydrophobicContact CB-CG1 3.9Å
190	L	90.6	Very high	88.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-41.5	177.9	-76.8	170.5	0	0	0	112.4	A186 L187 T192 L193 E194 F225 L228 Q229 I232 W266 L270	A186-L190 WeakPolarHBondContact O-CB 3.24Å; A186-L190 WeakPolarHBondContact O-CG 3.46Å; A186-L190 PolarHBondContact O-N 3.4Å; L187-L190 PolarHBondContact O-N 3.08Å; L190-T192 PolarHBondContact O-N 2.9Å; L190-L193 PolarHBondContact O-N 3.4Å; L190-E194 WeakPolarHBondContact O-CB 3.41Å; L190-E194 PolarHBondContact O-N 3.42Å; L190-F225 HydrophobicContact CD2-CB 4.18Å; L190-F225 HydrophobicContact CD2-CD1 3.93Å; L190-F225 HydrophobicContact CD2-CG 4.37Å; L190-L228 HydrophobicContact CD1-CB 4.4Å; L190-L228 HydrophobicContact CD1-CD2 4.3Å; L190-L228 HydrophobicContact CD1-CG 4.12Å; L190-L228 HydrophobicContact CD2-CD2 4.29Å; L190-Q229 HydrophobicContact CD1-CB 4.14Å; L190-I232 HydrophobicContact CD1-CD1 3.69Å; L190-W266 HydrophobicContact CD1-CH2 4.2Å; L190-W266 HydrophobicContact CG-CH2 4.19Å; L190-L270 HydrophobicContact CD2-CD1 3.94Å
191	N	90	Very high	88.1	Confident	63 Å²	63	45.5 Å²	45.5	34%	0.337	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-41.7	173.3	-70.2	-26.9	0	0	0	111.2	L187 D188 S195 Q229	L187-N191 WeakPolarHBondContact O-CB 3.48Å; L187-N191 PolarHBondContact O-N 3.12Å; L187-N191 PolarHBondContact O-ND2 3.11Å; D188-N191 PolarHBondContact O-N 3.34Å; N191-S195 WeakPolarHBondContact O-CB 3.43Å; N191-S195 PolarHBondContact O-N 2.93Å; N191-S195 PolarHBondContact O-OG 2.89Å; N191-Q229 PolarHBondContact OD1-NE2 3.11Å
192	T	89.6	Confident	87.4	Confident	73 Å²	73	48 Å²	48	45%	0.448	25%	0.253	S	S	.	.	H	α-helix	trans	-66.4	-45.9	177.8	-55.4	0	0	0	0	111.4	D188 A189 L190 S195 Q196	D188-T192 WeakPolarHBondContact O-CB 3.18Å; D188-T192 PolarHBondContact O-N 3.19Å; D188-T192 PolarHBondContact O-OG1 2.99Å; A189-T192 WeakPolarHBondContact O-CB 3Å; A189-T192 PolarHBondContact O-N 2.91Å; L190-T192 PolarHBondContact O-N 2.9Å; T192-S195 PolarHBondContact O-N 3.26Å; T192-Q196 WeakPolarHBondContact O-CB 3.27Å; T192-Q196 VanDerWaalsContact O-CG 3.26Å; T192-Q196 WeakPolarHBondContact O-CG 3.44Å; T192-Q196 PolarHBondContact O-N 3.03Å
193	L	87.2	Confident	86.7	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-40.6	178.8	-72	172.4	0	0	0	112.5	A189 L190 Q196 T197 F225 L270 R271	A189-L193 WeakPolarHBondContact O-CG 3.35Å; A189-L193 PolarHBondContact O-N 2.98Å; L190-L193 PolarHBondContact O-N 3.4Å; L193-Q196 PolarHBondContact O-N 3Å; L193-T197 WeakPolarHBondContact O-CB 3.34Å; L193-T197 PolarHBondContact O-N 3.45Å; L193-T197 PolarHBondContact O-OG1 3.37Å; L193-F225 HydrophobicContact CB-CD2 4.4Å; L193-F225 HydrophobicContact CB-CE2 4.27Å; L193-F225 HydrophobicContact CB-CZ 4.47Å; L193-F225 HydrophobicContact CD1-CE1 4.38Å; L193-L270 HydrophobicContact CD1-CB 4.15Å; L193-L270 HydrophobicContact CD1-CD1 4Å; L193-R271 HydrophobicContact CD2-CG 3.91Å
194	E	85.1	Confident	85.5	Confident	25 Å²	25	57 Å²	57	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-49.1	174	-179.8	176.5	-170	0	0	110.2	L190 Q196 T197 I198 R226 Q229	L190-E194 WeakPolarHBondContact O-CB 3.41Å; L190-E194 PolarHBondContact O-N 3.42Å; E194-Q196 VanDerWaalsContact C-N 3.34Å; E194-Q196 PolarHBondContact O-N 3.29Å; E194-T197 PolarHBondContact O-N 2.74Å; E194-T197 VanDerWaalsContact O-N 3.1Å; E194-I198 HydrophobicContact CG-CD1 3.8Å; E194-I198 HydrophobicContact CG-CG1 4.41Å; E194-I198 WeakPolarHBondContact O-CG1 3.03Å; E194-I198 PolarHBondContact O-N 2.91Å; E194-R226 IonicContact OE1-CZ 3.93Å; E194-R226 VanDerWaalsContact OE1-CZ 3.28Å; E194-R226 IonicContact OE1-NE 2.62Å; E194-R226 PolarHBondContact OE1-NE 3.26Å; E194-R226 IonicContact OE1-NH2 4Å; E194-R226 PolarHBondContact OE1-NH2 2.8Å; E194-Q229 PolarHBondContact OE2-OE1 3.41Å
195	S	86	Confident	84.3	Confident	68 Å²	68	58.2 Å²	58.2	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-58.1	-46	178.5	-59.3	0	0	0	0	111.6	N191 T192 T197 I198 T199	N191-S195 WeakPolarHBondContact O-CB 3.43Å; N191-S195 PolarHBondContact O-N 2.93Å; N191-S195 PolarHBondContact O-OG 2.89Å; T192-S195 PolarHBondContact O-N 3.26Å; S195-T197 VanDerWaalsContact C-N 3.33Å; S195-T197 PolarHBondContact O-N 2.93Å; S195-I198 PolarHBondContact O-N 2.9Å; S195-T199 PolarHBondContact O-N 2.98Å; S195-T199 PolarHBondContact O-OG1 3.03Å
196	Q	86.2	Confident	83	Confident	99 Å²	99	64.1 Å²	64.1	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-61.1	-40.3	175.7	-73.8	172.2	-4.5	0	0	112.4	T192 L193 E194 A200	T192-Q196 WeakPolarHBondContact O-CB 3.27Å; T192-Q196 VanDerWaalsContact O-CG 3.26Å; T192-Q196 WeakPolarHBondContact O-CG 3.44Å; T192-Q196 PolarHBondContact O-N 3.03Å; L193-Q196 PolarHBondContact O-N 3Å; E194-Q196 VanDerWaalsContact C-N 3.34Å; E194-Q196 PolarHBondContact O-N 3.29Å; Q196-A200 VanDerWaalsContact O-CB 3.23Å; Q196-A200 WeakPolarHBondContact O-CB 3.28Å; Q196-A200 PolarHBondContact O-N 3.35Å
197	T	81.9	Confident	81.3	Confident	24 Å²	24	69.2 Å²	69.2	15%	0.147	36%	0.356	C	S	.	.	H	α-helix	trans	-67.1	-39.8	179.4	-54.5	0	0	0	0	111.4	L193 E194 S195 Y201 N222	L193-T197 WeakPolarHBondContact O-CB 3.34Å; L193-T197 PolarHBondContact O-N 3.45Å; L193-T197 PolarHBondContact O-OG1 3.37Å; E194-T197 PolarHBondContact O-N 2.74Å; E194-T197 VanDerWaalsContact O-N 3.1Å; S195-T197 VanDerWaalsContact C-N 3.33Å; S195-T197 PolarHBondContact O-N 2.93Å; T197-Y201 WeakPolarHBondContact O-CB 3.45Å; T197-Y201 PolarHBondContact O-N 3.45Å; T197-N222 HydrophobicContact CG2-CB 4.14Å
198	I	80.9	Confident	79.5	Confident	58 Å²	58	76.4 Å²	76.4	30%	0.297	39%	0.394	S	S	.	.	H	α-helix	trans	-66.8	-48.9	176.2	-67.4	170.1	0	0	0	110.4	E194 S195 A200 Y201 Y202	E194-I198 HydrophobicContact CG-CD1 3.8Å; E194-I198 HydrophobicContact CG-CG1 4.41Å; E194-I198 WeakPolarHBondContact O-CG1 3.03Å; E194-I198 PolarHBondContact O-N 2.91Å; S195-I198 PolarHBondContact O-N 2.9Å; I198-A200 PolarHBondContact O-N 2.86Å; I198-Y201 WeakPolarHBondContact O-CB 3.27Å; I198-Y201 PolarHBondContact O-N 3.14Å; I198-Y201 VanDerWaalsContact O-N 3.11Å; I198-Y202 HydrophobicContact CG2-CD2 3.87Å; I198-Y202 HydrophobicContact CG2-CE2 3.67Å; I198-Y202 VanDerWaalsContact O-CD2 3.29Å; I198-Y202 WeakPolarHBondContact O-CD2 3.41Å; I198-Y202 PolarHBondContact O-N 3.35Å; I198-Y202 VanDerWaalsContact O-N 3.15Å
199	T	83.6	Confident	77.8	Confident	76 Å²	76	77.6 Å²	77.6	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-58.3	-48.1	177.9	-57.8	0	0	0	0	111.1	S195 Y201 Y202 E203	S195-T199 PolarHBondContact O-N 2.98Å; S195-T199 PolarHBondContact O-OG1 3.03Å; T199-Y201 PolarHBondContact O-N 2.86Å; T199-Y202 PolarHBondContact O-N 3.38Å; T199-Y202 VanDerWaalsContact O-N 3.16Å; T199-E203 HydrophobicContact CG2-CG 4.5Å; T199-E203 WeakPolarHBondContact O-CG 3.21Å; T199-E203 PolarHBondContact O-N 3.12Å
200	A	78.4	Confident	75.8	Confident	30 Å²	30	81.1 Å²	81.1	25%	0.248	44%	0.443	C	S	.	.	H	α-helix	trans	-67.5	-19.8	178.8	0	0	0	0	0	113.8	Q196 I198 K218	Q196-A200 VanDerWaalsContact O-CB 3.23Å; Q196-A200 WeakPolarHBondContact O-CB 3.28Å; Q196-A200 PolarHBondContact O-N 3.35Å; I198-A200 PolarHBondContact O-N 2.86Å; A200-K218 PolarHBondContact O-NZ 2.91Å
201	Y	75.9	Confident	73.9	Confident	103 Å²	103	88.9 Å²	88.9	40%	0.404	48%	0.483	S	S	.	.	H	α-helix	trans	-72.6	-49	170.9	173.8	-93.2	0	0	0	110.2	T197 I198 T199 E203 L204 C205	T197-Y201 WeakPolarHBondContact O-CB 3.45Å; T197-Y201 PolarHBondContact O-N 3.45Å; I198-Y201 WeakPolarHBondContact O-CB 3.27Å; I198-Y201 PolarHBondContact O-N 3.14Å; I198-Y201 VanDerWaalsContact O-N 3.11Å; T199-Y201 PolarHBondContact O-N 2.86Å; Y201-E203 PolarHBondContact O-N 3.02Å; Y201-L204 PolarHBondContact O-N 2.87Å; Y201-C205 PolarHBondContact O-N 3.01Å; Y201-C205 PolarHBondContact O-SG 2.9Å
202	Y	76.8	Confident	72.1	Confident	133 Å²	133	90.4 Å²	90.4	52%	0.522	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-38.1	179.1	-74.5	-69.6	0	0	0	112.8	I198 T199 L204 C205 Y206	I198-Y202 HydrophobicContact CG2-CD2 3.87Å; I198-Y202 HydrophobicContact CG2-CE2 3.67Å; I198-Y202 VanDerWaalsContact O-CD2 3.29Å; I198-Y202 WeakPolarHBondContact O-CD2 3.41Å; I198-Y202 PolarHBondContact O-N 3.35Å; I198-Y202 VanDerWaalsContact O-N 3.15Å; T199-Y202 PolarHBondContact O-N 3.38Å; T199-Y202 VanDerWaalsContact O-N 3.16Å; Y202-L204 PolarHBondContact O-N 2.77Å; Y202-C205 WeakPolarHBondContact O-CB 3.24Å; Y202-C205 PolarHBondContact O-N 2.9Å; Y202-Y206 VanDerWaalsContact O-CD2 3.25Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.39Å; Y202-Y206 PolarHBondContact O-N 2.95Å
203	E	79	Confident	70.3	Confident	117 Å²	117	90.9 Å²	90.9	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-58.2	-34.8	175	-73.6	173.7	176.5	0	0	113	T199 Y201 N207	T199-E203 HydrophobicContact CG2-CG 4.5Å; T199-E203 WeakPolarHBondContact O-CG 3.21Å; T199-E203 PolarHBondContact O-N 3.12Å; Y201-E203 PolarHBondContact O-N 3.02Å; E203-N207 VanDerWaalsContact O-CG 3.27Å; E203-N207 PolarHBondContact O-N 3.38Å; E203-N207 PolarHBondContact O-ND2 3.05Å
204	L	68	Low	68.7	Low	77 Å²	77	96.6 Å²	96.6	40%	0.403	54%	0.538	S	S	.	.	H	α-helix	trans	-72.3	-30.9	174.8	-74.4	-178.6	0	0	0	112.9	Y201 Y202 Y206 K218	Y201-L204 PolarHBondContact O-N 2.87Å; Y202-L204 PolarHBondContact O-N 2.77Å; L204-Y206 PolarHBondContact O-N 2.88Å; L204-K218 HydrophobicContact CD1-CD 4.13Å; L204-K218 VanDerWaalsContact CD1-CE 3.48Å
205	C	68.7	Low	67.2	Low	79 Å²	79	99.1 Å²	99.1	53%	0.534	56%	0.556	S	S	.	*	H	α-helix	trans	-71.7	-19.1	178.7	-65.8	0	0	0	0	113.1	Y201 Y202	Y201-C205 PolarHBondContact O-N 3.01Å; Y201-C205 PolarHBondContact O-SG 2.9Å; Y202-C205 WeakPolarHBondContact O-CB 3.24Å; Y202-C205 PolarHBondContact O-N 2.9Å
206	Y	65.4	Low	65.8	Low	186 Å²	186	100.4 Å²	100.4	73%	0.729	56%	0.561	S	S	*	*	H	α-helix	trans	-111.4	-2.1	-176.4	-72.5	-73.7	0	0	0	114.7	Y202 L204	Y202-Y206 VanDerWaalsContact O-CD2 3.25Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.39Å; Y202-Y206 PolarHBondContact O-N 2.95Å; L204-Y206 PolarHBondContact O-N 2.88Å
207	N	57.8	Low	64.6	Low	106 Å²	106	99.2 Å²	99.2	57%	0.567	56%	0.556	S	S	*	*			trans	-85.4	115.2	174.8	-77.3	-21.3	0	0	0	110.8	E203 T209	E203-N207 VanDerWaalsContact O-CG 3.27Å; E203-N207 PolarHBondContact O-N 3.38Å; E203-N207 PolarHBondContact O-ND2 3.05Å; N207-T209 PolarHBondContact O-N 3.18Å
208	D	54.5	Low	63.8	Low	171 Å²	171	100.9 Å²	100.9	91%	0.914	56%	0.561	S	S	*	*	S	Bend	trans	-65.3	10	-174.7	-90.2	-28.6	0	0	0	116.4
209	T	56.6	Low	63	Low	118 Å²	118	101 Å²	101	72%	0.724	57%	0.57	S	S	*	*	S	Bend	trans	-106.7	93.6	-179.5	49.8	0	0	0	0	109.7	N207 L211	N207-T209 PolarHBondContact O-N 3.18Å; T209-L211 PolarHBondContact O-N 2.76Å
210	G	50.9	Low	62.5	Low	88 Å²	88	100.3 Å²	100.3	91%	0.907	57%	0.569	S	S	*	*			trans	-61	57.1	-171.2	0	0	0	0	0	118.4
211	L	49.9	Very low	62.2	Low	163 Å²	163	100.2 Å²	100.2	85%	0.853	56%	0.564	S	S	*	*			trans	-117.5	80.4	166.4	-88.4	142.7	0	0	0	108.7	T209 S213	T209-L211 PolarHBondContact O-N 2.76Å; L211-S213 PolarHBondContact O-N 2.68Å
212	A	51.5	Low	62.3	Low	95 Å²	95	96.8 Å²	96.8	79%	0.785	55%	0.553	S	S	*	*			trans	-68.3	98	175.9	0	0	0	0	0	110.8	Q214	A212-Q214 PolarHBondContact O-N 2.79Å
213	S	51.2	Low	62.4	Low	84 Å²	84	97.5 Å²	97.5	59%	0.587	56%	0.555	S	S	*	*			trans	-74.9	114.5	161.1	49.4	0	0	0	0	109.6	L211	L211-S213 PolarHBondContact O-N 2.68Å
214	Q	54.3	Low	62.5	Low	129 Å²	129	98.2 Å²	98.2	60%	0.603	55%	0.552	S	S	*	*			trans	-0.6	98.9	179.7	-63	-159.8	6.1	0	0	119.4	A212 T216 E217	A212-Q214 PolarHBondContact O-N 2.79Å; Q214-T216 PolarHBondContact O-N 2.91Å; Q214-T216 VanDerWaalsContact O-N 3.09Å; Q214-T216 PolarHBondContact OE1-OG1 2.81Å; Q214-E217 PolarHBondContact O-N 3.05Å
215	P	54.6	Low	63.3	Low	77 Å²	77	95.1 Å²	95.1	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-58.8	-17.1	168.5	19.4	-31.1	0	0	0	114.9	A219	P215-A219 PolarHBondContact O-N 3.47Å
216	T	56.3	Low	64.1	Low	95 Å²	95	97.7 Å²	97.7	58%	0.583	53%	0.534	S	S	*	.	H	α-helix	trans	-68	-36.5	-179.9	46.4	0	0	0	0	113.5	Q214 S220	Q214-T216 PolarHBondContact O-N 2.91Å; Q214-T216 VanDerWaalsContact O-N 3.09Å; Q214-T216 PolarHBondContact OE1-OG1 2.81Å; T216-S220 WeakPolarHBondContact O-CB 3.32Å; T216-S220 PolarHBondContact O-N 2.96Å; T216-S220 VanDerWaalsContact O-N 3.15Å
217	E	60.7	Low	65.1	Low	74 Å²	74	93.6 Å²	93.6	35%	0.346	52%	0.52	S	S	.	.	H	α-helix	trans	-72.3	-41	-177.8	-166.6	175.6	-178.8	0	0	111.7	Q214 S220 N221 S274	Q214-E217 PolarHBondContact O-N 3.05Å; E217-S220 WeakPolarHBondContact O-CB 3.42Å; E217-S220 PolarHBondContact O-N 2.78Å; E217-N221 PolarHBondContact O-N 3.3Å; E217-S274 WeakPolarHBondContact OE1-CB 3.49Å; E217-S274 PolarHBondContact OE1-OG 3.49Å
218	K	64.6	Low	66.6	Low	59 Å²	59	90.3 Å²	90.3	26%	0.257	50%	0.502	S	S	.	.	H	α-helix	trans	-67.7	-39.5	177.7	-63.9	-168	-179.4	-167.1	0	112.6	A200 L204 S220 N221 N222	A200-K218 PolarHBondContact O-NZ 2.91Å; L204-K218 HydrophobicContact CD1-CD 4.13Å; L204-K218 VanDerWaalsContact CD1-CE 3.48Å; K218-S220 VanDerWaalsContact C-N 3.34Å; K218-N221 PolarHBondContact O-N 2.73Å; K218-N222 PolarHBondContact O-N 3.04Å; K218-N222 VanDerWaalsContact O-N 3.08Å
219	A	64.2	Low	68.3	Low	60 Å²	60	84.3 Å²	84.3	50%	0.496	47%	0.469	S	S	.	.	H	α-helix	trans	-63.7	-40	174.5	0	0	0	0	0	111.9	P215 N222 W223	P215-A219 PolarHBondContact O-N 3.47Å; A219-N222 PolarHBondContact O-N 3.14Å; A219-W223 PolarHBondContact O-N 3.33Å; A219-W223 VanDerWaalsContact O-N 3.09Å
220	S	72.8	Confident	69.9	Low	62 Å²	62	82.3 Å²	82.3	43%	0.434	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-44.1	175.7	-172.4	0	0	0	0	112.1	T216 E217 K218 N222 W223 R224	T216-S220 WeakPolarHBondContact O-CB 3.32Å; T216-S220 PolarHBondContact O-N 2.96Å; T216-S220 VanDerWaalsContact O-N 3.15Å; E217-S220 WeakPolarHBondContact O-CB 3.42Å; E217-S220 PolarHBondContact O-N 2.78Å; K218-S220 VanDerWaalsContact C-N 3.34Å; S220-N222 PolarHBondContact O-N 3.35Å; S220-W223 PolarHBondContact O-N 2.79Å; S220-R224 WeakPolarHBondContact O-CB 3.37Å; S220-R224 PolarHBondContact O-N 3.46Å; S220-R224 VanDerWaalsContact O-N 3.1Å
221	N	73.5	Confident	71.8	Confident	29 Å²	29	82.3 Å²	82.3	16%	0.155	44%	0.436	C	S	.	.	H	α-helix	trans	-64.2	-42.7	177.5	-73.8	-18.9	0	0	0	112.1	E217 K218 W223 R224 F225 S274	E217-N221 PolarHBondContact O-N 3.3Å; K218-N221 PolarHBondContact O-N 2.73Å; N221-W223 PolarHBondContact O-N 3.47Å; N221-R224 WeakPolarHBondContact O-CB 3.36Å; N221-R224 PolarHBondContact O-N 2.73Å; N221-R224 VanDerWaalsContact O-N 3.17Å; N221-F225 HydrophobicContact CB-CE2 4.07Å; N221-F225 HydrophobicContact CB-CZ 4.33Å; N221-F225 WeakPolarHBondContact O-CD2 3.44Å; N221-F225 VanDerWaalsContact O-CG 3.29Å; N221-F225 WeakPolarHBondContact O-CG 3.32Å; N221-F225 PolarHBondContact O-N 3.35Å; N221-S274 PolarHBondContact ND2-OG 3.14Å
222	N	76.5	Confident	73.9	Confident	30 Å²	30	74.5 Å²	74.5	16%	0.16	40%	0.395	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177.2	-169.6	1.8	0	0	0	112.3	T197 K218 A219 S220 R224 F225 R226	T197-N222 HydrophobicContact CG2-CB 4.14Å; K218-N222 PolarHBondContact O-N 3.04Å; K218-N222 VanDerWaalsContact O-N 3.08Å; A219-N222 PolarHBondContact O-N 3.14Å; S220-N222 PolarHBondContact O-N 3.35Å; N222-R224 PolarHBondContact O-N 2.98Å; N222-F225 PolarHBondContact O-N 2.77Å; N222-R226 PolarHBondContact O-N 3.23Å
223	W	79.7	Confident	75.9	Confident	148 Å²	148	75.5 Å²	75.5	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-55.2	-43.6	174.3	125.2	-104.4	0	0	0	111.7	A219 S220 N221 R226 K227	A219-W223 PolarHBondContact O-N 3.33Å; A219-W223 VanDerWaalsContact O-N 3.09Å; S220-W223 PolarHBondContact O-N 2.79Å; N221-W223 PolarHBondContact O-N 3.47Å; W223-R226 PolarHBondContact O-N 3.07Å; W223-K227 HydrophobicContact CE3-CB 4.19Å; W223-K227 HydrophobicContact CH2-CB 4.33Å; W223-K227 HydrophobicContact CH2-CD 3.39Å; W223-K227 HydrophobicContact CH2-CG 4.4Å; W223-K227 HydrophobicContact CZ2-CD 4.02Å; W223-K227 HydrophobicContact CZ3-CB 3.92Å; W223-K227 HydrophobicContact CZ3-CD 3.77Å; W223-K227 HydrophobicContact CZ3-CG 4.33Å; W223-K227 PolarHBondContact O-N 2.6Å
224	R	81	Confident	77.8	Confident	132 Å²	132	75.8 Å²	75.8	50%	0.498	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-41.1	-177.7	-155.9	178.2	-175.1	-178.7	1.9	111.5	S220 N221 N222 L228 S273	S220-R224 WeakPolarHBondContact O-CB 3.37Å; S220-R224 PolarHBondContact O-N 3.46Å; S220-R224 VanDerWaalsContact O-N 3.1Å; N221-R224 WeakPolarHBondContact O-CB 3.36Å; N221-R224 PolarHBondContact O-N 2.73Å; N221-R224 VanDerWaalsContact O-N 3.17Å; N222-R224 PolarHBondContact O-N 2.98Å; R224-L228 WeakPolarHBondContact O-CB 3.5Å; R224-L228 PolarHBondContact O-N 3.46Å; R224-L228 VanDerWaalsContact O-N 3.14Å; R224-S273 PolarHBondContact NH1-OG 3.12Å
225	F	84.7	Confident	79.6	Confident	13 Å²	13	70.3 Å²	70.3	6%	0.057	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-46.1	174.8	-60.1	-37	0	0	0	111.7	L190 L193 N221 N222 K227 L228 Q229 L270	L190-F225 HydrophobicContact CD2-CB 4.18Å; L190-F225 HydrophobicContact CD2-CD1 3.93Å; L190-F225 HydrophobicContact CD2-CG 4.37Å; L193-F225 HydrophobicContact CB-CD2 4.4Å; L193-F225 HydrophobicContact CB-CE2 4.27Å; L193-F225 HydrophobicContact CB-CZ 4.47Å; L193-F225 HydrophobicContact CD1-CE1 4.38Å; N221-F225 HydrophobicContact CB-CE2 4.07Å; N221-F225 HydrophobicContact CB-CZ 4.33Å; N221-F225 WeakPolarHBondContact O-CD2 3.44Å; N221-F225 VanDerWaalsContact O-CG 3.29Å; N221-F225 WeakPolarHBondContact O-CG 3.32Å; N221-F225 PolarHBondContact O-N 3.35Å; N222-F225 PolarHBondContact O-N 2.77Å; F225-K227 PolarHBondContact O-N 2.94Å; F225-L228 PolarHBondContact O-N 3.28Å; F225-Q229 VanDerWaalsContact O-CB 3.26Å; F225-Q229 WeakPolarHBondContact O-CB 3.4Å; F225-Q229 PolarHBondContact O-N 2.99Å; F225-L270 HydrophobicContact CE1-CB 4.24Å
226	R	85.1	Confident	81.4	Confident	133 Å²	133	68.9 Å²	68.9	50%	0.502	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.6	-75.1	-175.1	175.7	177.3	-0.1	113.5	E194 N222 W223 Q229 S230	E194-R226 IonicContact OE1-CZ 3.93Å; E194-R226 VanDerWaalsContact OE1-CZ 3.28Å; E194-R226 IonicContact OE1-NE 2.62Å; E194-R226 PolarHBondContact OE1-NE 3.26Å; E194-R226 IonicContact OE1-NH2 4Å; E194-R226 PolarHBondContact OE1-NH2 2.8Å; N222-R226 PolarHBondContact O-N 3.23Å; W223-R226 PolarHBondContact O-N 3.07Å; R226-Q229 PolarHBondContact O-N 3.37Å; R226-S230 PolarHBondContact O-N 3.45Å
227	K	87.6	Confident	83.2	Confident	100 Å²	100	69.5 Å²	69.5	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-49.1	177.2	178.7	171.6	174.6	-179.1	0	110.8	W223 F225 Q229 S230 E231	W223-K227 HydrophobicContact CE3-CB 4.19Å; W223-K227 HydrophobicContact CH2-CB 4.33Å; W223-K227 HydrophobicContact CH2-CD 3.39Å; W223-K227 HydrophobicContact CH2-CG 4.4Å; W223-K227 HydrophobicContact CZ2-CD 4.02Å; W223-K227 HydrophobicContact CZ3-CB 3.92Å; W223-K227 HydrophobicContact CZ3-CD 3.77Å; W223-K227 HydrophobicContact CZ3-CG 4.33Å; W223-K227 PolarHBondContact O-N 2.6Å; F225-K227 PolarHBondContact O-N 2.94Å; K227-Q229 VanDerWaalsContact C-N 3.33Å; K227-Q229 PolarHBondContact O-N 3.35Å; K227-S230 WeakPolarHBondContact O-CB 3.41Å; K227-S230 PolarHBondContact O-N 2.88Å; K227-E231 WeakPolarHBondContact CE-OE1 3.44Å; K227-E231 PolarHBondContact O-N 3.37Å; K227-E231 VanDerWaalsContact O-N 3.11Å
228	L	87.4	Confident	84.6	Confident	37 Å²	37	67.7 Å²	67.7	19%	0.194	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-39.5	-179.6	-172.7	61	0	0	0	111.9	L190 R224 F225 S230 E231 I232 W266 L270	L190-L228 HydrophobicContact CD1-CB 4.4Å; L190-L228 HydrophobicContact CD1-CD2 4.3Å; L190-L228 HydrophobicContact CD1-CG 4.12Å; L190-L228 HydrophobicContact CD2-CD2 4.29Å; R224-L228 WeakPolarHBondContact O-CB 3.5Å; R224-L228 PolarHBondContact O-N 3.46Å; R224-L228 VanDerWaalsContact O-N 3.14Å; F225-L228 PolarHBondContact O-N 3.28Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 2.96Å; L228-E231 PolarHBondContact O-N 2.84Å; L228-I232 HydrophobicContact CD1-CD1 4.19Å; L228-I232 HydrophobicContact CD1-CG1 4.37Å; L228-I232 HydrophobicContact CD2-CD1 4.5Å; L228-I232 HydrophobicContact CG-CD1 3.86Å; L228-I232 HydrophobicContact CG-CG1 4.41Å; L228-I232 WeakPolarHBondContact O-CB 3.27Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.2Å; L228-I232 PolarHBondContact O-N 3.34Å; L228-W266 HydrophobicContact CD2-CH2 4.47Å; L228-W266 HydrophobicContact CD2-CZ2 3.92Å; L228-L270 HydrophobicContact CD2-CD2 3.84Å
229	Q	90.2	Very high	85.8	Confident	45 Å²	45	65 Å²	65	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-41.7	175	-172.1	-167.9	13	0	0	111.4	L187 L190 N191 E194 F225 R226 K227 F233	L187-Q229 HydrophobicContact CD2-CG 3.95Å; L190-Q229 HydrophobicContact CD1-CB 4.14Å; N191-Q229 PolarHBondContact OD1-NE2 3.11Å; E194-Q229 PolarHBondContact OE2-OE1 3.41Å; F225-Q229 VanDerWaalsContact O-CB 3.26Å; F225-Q229 WeakPolarHBondContact O-CB 3.4Å; F225-Q229 PolarHBondContact O-N 2.99Å; R226-Q229 PolarHBondContact O-N 3.37Å; K227-Q229 VanDerWaalsContact C-N 3.33Å; K227-Q229 PolarHBondContact O-N 3.35Å; Q229-F233 WeakPolarHBondContact O-CB 3.5Å; Q229-F233 PolarHBondContact O-N 2.97Å
230	S	90.8	Very high	86.9	Confident	76 Å²	76	67.5 Å²	67.5	53%	0.531	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-45.2	175.5	-177.3	0	0	0	0	112.2	R226 K227 L228 F233 M234	R226-S230 PolarHBondContact O-N 3.45Å; K227-S230 WeakPolarHBondContact O-CB 3.41Å; K227-S230 PolarHBondContact O-N 2.88Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 2.96Å; S230-F233 PolarHBondContact O-N 2.86Å; S230-M234 VanDerWaalsContact O-CG 3.32Å; S230-M234 WeakPolarHBondContact O-CG 3.34Å; S230-M234 PolarHBondContact O-N 3.14Å
231	E	91.3	Very high	87.7	Confident	87 Å²	87	69.7 Å²	69.7	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-46.2	177.6	-69.4	173.4	-174.2	0	0	111.7	F136 K227 L228 M234 A235	F136-E231 HydrophobicContact CE2-CB 4.21Å; F136-E231 HydrophobicContact CZ-CB 4.38Å; K227-E231 WeakPolarHBondContact CE-OE1 3.44Å; K227-E231 PolarHBondContact O-N 3.37Å; K227-E231 VanDerWaalsContact O-N 3.11Å; L228-E231 PolarHBondContact O-N 2.84Å; E231-M234 PolarHBondContact O-N 3.47Å; E231-A235 PolarHBondContact O-N 3.27Å; E231-A235 VanDerWaalsContact O-N 3.07Å
232	I	93.3	Very high	88.2	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-41.2	177.8	-71.5	177.3	0	0	0	111	L131 F136 L183 A186 L187 L190 L228 M234 A235 Y236 W266	L131-I232 HydrophobicContact CD1-CD1 4.04Å; L131-I232 HydrophobicContact CD1-CG1 4.31Å; F136-I232 HydrophobicContact CE1-CG1 4.33Å; F136-I232 HydrophobicContact CE2-CG1 4.49Å; F136-I232 HydrophobicContact CZ-CG1 3.77Å; L183-I232 HydrophobicContact CB-CG2 4.33Å; L183-I232 HydrophobicContact CD2-CB 4.34Å; L183-I232 HydrophobicContact CD2-CG1 4.42Å; L183-I232 HydrophobicContact CD2-CG2 3.67Å; A186-I232 HydrophobicContact CB-CD1 4.11Å; A186-I232 HydrophobicContact CB-CG2 4.46Å; L187-I232 HydrophobicContact CD1-CG2 4.31Å; L187-I232 HydrophobicContact CD2-CB 4.21Å; L187-I232 HydrophobicContact CD2-CG2 3.67Å; L187-I232 HydrophobicContact CG-CG2 3.59Å; L190-I232 HydrophobicContact CD1-CD1 3.69Å; L228-I232 HydrophobicContact CD1-CD1 4.19Å; L228-I232 HydrophobicContact CD1-CG1 4.37Å; L228-I232 HydrophobicContact CD2-CD1 4.5Å; L228-I232 HydrophobicContact CG-CD1 3.86Å; L228-I232 HydrophobicContact CG-CG1 4.41Å; L228-I232 WeakPolarHBondContact O-CB 3.27Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.2Å; L228-I232 PolarHBondContact O-N 3.34Å; I232-M234 VanDerWaalsContact C-N 3.32Å; I232-M234 PolarHBondContact O-N 3.31Å; I232-A235 PolarHBondContact O-N 3.38Å; I232-Y236 WeakPolarHBondContact O-CB 3.16Å; I232-Y236 PolarHBondContact O-N 2.96Å; I232-W266 HydrophobicContact CD1-CH2 4.08Å; I232-W266 HydrophobicContact CD1-CZ2 4.1Å
233	F	93.2	Very high	88.6	Confident	115 Å²	115	70.1 Å²	70.1	50%	0.504	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-39.1	178.3	-175.1	-100.1	0	0	0	112	L187 Q229 S230 Y236 K237	L187-F233 HydrophobicContact CD1-CD2 4.24Å; L187-F233 HydrophobicContact CD2-CB 4.17Å; Q229-F233 WeakPolarHBondContact O-CB 3.5Å; Q229-F233 PolarHBondContact O-N 2.97Å; S230-F233 PolarHBondContact O-N 2.86Å; F233-Y236 WeakPolarHBondContact O-CB 3.4Å; F233-Y236 PolarHBondContact O-N 3.45Å; F233-K237 PolarHBondContact O-N 3.45Å
234	M	92.1	Very high	88.8	Confident	90 Å²	90	69.8 Å²	69.8	44%	0.443	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-44.8	174.7	-72	-61.8	-66.3	0	0	111.9	L100 S230 E231 I232 Y236 K237 S238	L100-M234 HydrophobicContact CD1-CE 4.14Å; S230-M234 VanDerWaalsContact O-CG 3.32Å; S230-M234 WeakPolarHBondContact O-CG 3.34Å; S230-M234 PolarHBondContact O-N 3.14Å; E231-M234 PolarHBondContact O-N 3.47Å; I232-M234 VanDerWaalsContact C-N 3.32Å; I232-M234 PolarHBondContact O-N 3.31Å; M234-Y236 VanDerWaalsContact C-N 3.34Å; M234-Y236 PolarHBondContact O-N 2.92Å; M234-K237 PolarHBondContact O-N 3.27Å; M234-S238 PolarHBondContact O-N 3.25Å; M234-S238 VanDerWaalsContact O-N 3.11Å
235	A	91.8	Very high	88.9	Confident	15 Å²	15	67.6 Å²	67.6	12%	0.124	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-43.1	174.6	0	0	0	0	0	111.7	F136 L183 E231 I232 K237 S238 I239	F136-A235 HydrophobicContact CD2-CB 4.11Å; F136-A235 HydrophobicContact CE2-CB 4.35Å; L183-A235 HydrophobicContact CD1-CB 4.05Å; L183-A235 HydrophobicContact CD2-CB 4.2Å; E231-A235 PolarHBondContact O-N 3.27Å; E231-A235 VanDerWaalsContact O-N 3.07Å; I232-A235 PolarHBondContact O-N 3.38Å; A235-K237 PolarHBondContact O-N 3.21Å; A235-S238 PolarHBondContact O-N 3.19Å; A235-I239 WeakPolarHBondContact O-CG1 3.35Å; A235-I239 PolarHBondContact O-N 2.94Å
236	Y	93.4	Very high	88.3	Confident	46 Å²	46	69.6 Å²	69.6	18%	0.18	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-48.9	177.8	170.5	-89.8	0	0	0	111.3	L180 L183 T184 L187 I232 F233 M234 S238 R240	L180-Y236 HydrophobicContact CD1-CD2 3.58Å; L180-Y236 HydrophobicContact CD1-CE2 3.71Å; L180-Y236 HydrophobicContact CD1-CG 4.33Å; L180-Y236 HydrophobicContact CG-CE2 4.38Å; L183-Y236 HydrophobicContact CB-CD2 4.3Å; T184-Y236 WeakPolarHBondContact OG1-CE2 3.44Å; L187-Y236 HydrophobicContact CD1-CD2 4.47Å; L187-Y236 HydrophobicContact CD1-CG 4.26Å; I232-Y236 WeakPolarHBondContact O-CB 3.16Å; I232-Y236 PolarHBondContact O-N 2.96Å; F233-Y236 WeakPolarHBondContact O-CB 3.4Å; F233-Y236 PolarHBondContact O-N 3.45Å; M234-Y236 VanDerWaalsContact C-N 3.34Å; M234-Y236 PolarHBondContact O-N 2.92Å; Y236-S238 PolarHBondContact O-N 3.47Å; Y236-R240 WeakPolarHBondContact O-CB 3.35Å; Y236-R240 PolarHBondContact O-N 3.06Å; Y236-R240 PolarHBondContact OH-NH1 2.84Å; Y236-R240 VanDerWaalsContact OH-NH1 3.16Å
237	K	92.5	Very high	86.9	Confident	108 Å²	108	66.4 Å²	66.4	47%	0.47	35%	0.353	S	S	.	.	H	α-helix	trans	-60.5	-48.2	179.5	-172.3	-179.1	175.4	-175.6	0	111.1	F233 M234 A235 I239 R240 E241	F233-K237 PolarHBondContact O-N 3.45Å; M234-K237 PolarHBondContact O-N 3.27Å; A235-K237 PolarHBondContact O-N 3.21Å; K237-I239 PolarHBondContact O-N 2.81Å; K237-R240 PolarHBondContact O-N 2.85Å; K237-E241 WeakPolarHBondContact CE-OE1 3.34Å; K237-E241 WeakPolarHBondContact O-CG 3.29Å; K237-E241 PolarHBondContact O-N 2.85Å
238	S	90.1	Very high	85	Confident	36 Å²	36	64.9 Å²	64.9	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-59.9	-47.8	-178.6	-170.6	0	0	0	0	112.4	L103 M234 A235 Y236 E241 D242	L103-S238 WeakPolarHBondContact CD1-OG 3.46Å; M234-S238 PolarHBondContact O-N 3.25Å; M234-S238 VanDerWaalsContact O-N 3.11Å; A235-S238 PolarHBondContact O-N 3.19Å; Y236-S238 PolarHBondContact O-N 3.47Å; S238-E241 PolarHBondContact O-N 3.18Å; S238-D242 PolarHBondContact O-N 2.76Å; S238-D242 VanDerWaalsContact O-N 3.08Å
239	I	89.7	Confident	82.8	Confident	4 Å²	4	72 Å²	72	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-72.3	-34.2	-176.4	-67.6	-177	0	0	0	111.3	Y129 K176 F179 L180 L183 A235 K237 E241 D242 L243	Y129-I239 HydrophobicContact CD1-CD1 4.2Å; Y129-I239 HydrophobicContact CD2-CD1 3.99Å; Y129-I239 HydrophobicContact CE1-CD1 4.31Å; Y129-I239 HydrophobicContact CE2-CD1 4.1Å; Y129-I239 HydrophobicContact CG-CD1 4.04Å; K176-I239 HydrophobicContact CB-CG2 4.17Å; K176-I239 HydrophobicContact CG-CG2 4.46Å; F179-I239 HydrophobicContact CD1-CD1 3.23Å; F179-I239 HydrophobicContact CE1-CD1 3.42Å; F179-I239 VanDerWaalsContact CE1-CD1 3.42Å; L180-I239 HydrophobicContact CB-CG2 4.23Å; L180-I239 HydrophobicContact CD1-CG2 4.33Å; L183-I239 HydrophobicContact CD1-CD1 4.34Å; A235-I239 WeakPolarHBondContact O-CG1 3.35Å; A235-I239 PolarHBondContact O-N 2.94Å; K237-I239 PolarHBondContact O-N 2.81Å; I239-E241 VanDerWaalsContact C-N 3.34Å; I239-D242 PolarHBondContact O-N 2.94Å; I239-L243 HydrophobicContact CG2-CD1 4.01Å; I239-L243 HydrophobicContact CG2-CG 4.45Å; I239-L243 WeakPolarHBondContact O-CB 3.43Å; I239-L243 WeakPolarHBondContact O-CG 3.4Å; I239-L243 PolarHBondContact O-N 3.47Å
240	R	88.9	Confident	80.7	Confident	112 Å²	112	73.7 Å²	73.7	42%	0.423	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-39.1	174.2	-172.8	174.6	-178.8	-168.7	1.7	112.1	L180 Y236 K237 K244	L180-R240 HydrophobicContact CD1-CB 4.02Å; Y236-R240 WeakPolarHBondContact O-CB 3.35Å; Y236-R240 PolarHBondContact O-N 3.06Å; Y236-R240 PolarHBondContact OH-NH1 2.84Å; Y236-R240 VanDerWaalsContact OH-NH1 3.16Å; K237-R240 PolarHBondContact O-N 2.85Å; R240-K244 VanDerWaalsContact O-CG 3.3Å; R240-K244 WeakPolarHBondContact O-CG 3.49Å; R240-K244 PolarHBondContact O-N 3.17Å
241	E	88.9	Confident	78.3	Confident	107 Å²	107	76.5 Å²	76.5	50%	0.5	43%	0.431	S	S	.	.	H	α-helix	trans	-67.8	-43.6	176.3	-74.2	172	179.4	0	0	111.7	K237 S238 I239 K244 A245	K237-E241 WeakPolarHBondContact CE-OE1 3.34Å; K237-E241 WeakPolarHBondContact O-CG 3.29Å; K237-E241 PolarHBondContact O-N 2.85Å; S238-E241 PolarHBondContact O-N 3.18Å; I239-E241 VanDerWaalsContact C-N 3.34Å; E241-K244 WeakPolarHBondContact O-CB 3.28Å; E241-K244 PolarHBondContact O-N 3.41Å; E241-A245 PolarHBondContact O-N 3.41Å
242	D	85.1	Confident	76.3	Confident	36 Å²	36	80.5 Å²	80.5	19%	0.193	45%	0.449	C	S	.	.	H	α-helix	trans	-65.3	-41.2	178.7	-176.5	50	0	0	0	113.2	K176 S238 I239 K244 A245 T246	K176-D242 WeakPolarHBondContact CD-OD2 3.19Å; K176-D242 WeakPolarHBondContact CE-OD2 3.29Å; K176-D242 IonicContact NZ-OD2 3.93Å; K176-D242 PolarHBondContact NZ-OD2 3.04Å; S238-D242 PolarHBondContact O-N 2.76Å; S238-D242 VanDerWaalsContact O-N 3.08Å; I239-D242 PolarHBondContact O-N 2.94Å; D242-K244 VanDerWaalsContact C-N 3.28Å; D242-K244 PolarHBondContact O-N 2.86Å; D242-A245 PolarHBondContact O-N 2.84Å; D242-T246 PolarHBondContact O-N 3.04Å; D242-T246 VanDerWaalsContact O-N 3.13Å; D242-T246 PolarHBondContact O-OG1 3.46Å
243	L	84.3	Confident	74.3	Confident	32 Å²	32	82.9 Å²	82.9	17%	0.168	47%	0.466	C	S	.	.	H	α-helix	trans	-64.6	-30.7	173.2	-77.5	171.1	0	0	0	112.9	K176 R177 L180 I239 T246 G247	K176-L243 HydrophobicContact CB-CD1 4.29Å; K176-L243 HydrophobicContact CB-CD2 3.99Å; K176-L243 HydrophobicContact CB-CG 4.24Å; R177-L243 HydrophobicContact CG-CD1 4.29Å; R177-L243 HydrophobicContact CG-CD2 4.07Å; L180-L243 HydrophobicContact CB-CD1 4.36Å; L180-L243 HydrophobicContact CD2-CD1 3.9Å; I239-L243 HydrophobicContact CG2-CD1 4.01Å; I239-L243 HydrophobicContact CG2-CG 4.45Å; I239-L243 WeakPolarHBondContact O-CB 3.43Å; I239-L243 WeakPolarHBondContact O-CG 3.4Å; I239-L243 PolarHBondContact O-N 3.47Å; L243-T246 PolarHBondContact O-OG1 2.88Å; L243-G247 PolarHBondContact O-N 3.43Å
244	K	83.9	Confident	72.6	Confident	141 Å²	141	80.5 Å²	80.5	61%	0.613	46%	0.462	S	S	*	.	H	α-helix	trans	-71.3	-43	173.5	-75.7	174.2	179.4	-176.1	0	111.6	R240 E241 D242 T246 G247	R240-K244 VanDerWaalsContact O-CG 3.3Å; R240-K244 WeakPolarHBondContact O-CG 3.49Å; R240-K244 PolarHBondContact O-N 3.17Å; E241-K244 WeakPolarHBondContact O-CB 3.28Å; E241-K244 PolarHBondContact O-N 3.41Å; D242-K244 VanDerWaalsContact C-N 3.28Å; D242-K244 PolarHBondContact O-N 2.86Å; K244-T246 VanDerWaalsContact C-N 3.26Å; K244-T246 PolarHBondContact O-N 3.4Å; K244-G247 PolarHBondContact O-N 2.98Å
245	A	81.7	Confident	71.4	Confident	86 Å²	86	76.7 Å²	76.7	71%	0.711	45%	0.445	S	S	*	.	H	α-helix	trans	-62	-35.5	179.6	0	0	0	0	0	112.3	E241 D242	E241-A245 PolarHBondContact O-N 3.41Å; D242-A245 PolarHBondContact O-N 2.84Å
246	T	72.2	Confident	70.1	Confident	55 Å²	55	80.5 Å²	80.5	34%	0.337	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.8	179	47.7	0	0	0	0	114.4	D242 L243 K244 G248	D242-T246 PolarHBondContact O-N 3.04Å; D242-T246 VanDerWaalsContact O-N 3.13Å; D242-T246 PolarHBondContact O-OG1 3.46Å; L243-T246 PolarHBondContact O-OG1 2.88Å; K244-T246 VanDerWaalsContact C-N 3.26Å; K244-T246 PolarHBondContact O-N 3.4Å; T246-G248 VanDerWaalsContact C-N 3.31Å; T246-G248 PolarHBondContact O-N 2.7Å
247	G	56	Low	68.4	Low	67 Å²	67	83.8 Å²	83.8	69%	0.691	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	11.5	-171.3	0	0	0	0	0	116.9	L243 K244	L243-G247 PolarHBondContact O-N 3.43Å; K244-G247 PolarHBondContact O-N 2.98Å
248	G	48.4	Very low	67.2	Low	68 Å²	68	86.3 Å²	86.3	70%	0.701	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-15.2	-174.8	0	0	0	0	0	116.9	T246	T246-G248 VanDerWaalsContact C-N 3.31Å; T246-G248 PolarHBondContact O-N 2.7Å
249	Q	41.8	Very low	66.7	Low	185 Å²	185	85.1 Å²	85.1	86%	0.864	50%	0.5	S	S	*	.	S	Bend	trans	-151.3	82	-169	-63.9	-178.6	6	0	0	112.3
250	S	44.8	Very low	66.3	Low	81 Å²	81	90.7 Å²	90.7	57%	0.566	54%	0.538	S	S	*	.			trans	-175.1	119	148.3	176	0	0	0	0	109.9	Q252	S250-Q252 VanDerWaalsContact C-N 3.26Å; S250-Q252 PolarHBondContact O-N 3.19Å
251	P	41.4	Very low	66	Low	135 Å²	135	86.5 Å²	86.5	88%	0.877	53%	0.525	S	S	*	.	S	Bend	trans	-75.6	1.2	-175.9	-13.8	29	0	0	0	115.7
252	Q	48.2	Very low	65.8	Low	171 Å²	171	86.3 Å²	86.3	80%	0.799	53%	0.527	S	S	*	.			trans	-140.2	75.2	-172.1	-63.3	-176.5	0.5	0	0	111.2	S250 P254	S250-Q252 VanDerWaalsContact C-N 3.26Å; S250-Q252 PolarHBondContact O-N 3.19Å; Q252-P254 WeakPolarHBondContact O-CD 3.41Å
253	S	52.9	Low	65.8	Low	51 Å²	51	85 Å²	85	36%	0.357	52%	0.52	S	S	.	.			trans	-96.9	108.4	168.8	147.2	0	0	0	0	108.7	R177 C255	R177-S253 PolarHBondContact NH1-OG 3.16Å; S253-C255 PolarHBondContact O-N 3.03Å; S253-C255 VanDerWaalsContact O-N 3.15Å
254	P	57	Low	65.9	Low	64 Å²	64	88.5 Å²	88.5	42%	0.416	54%	0.539	S	S	.	.			trans	-67.8	-10.8	178.7	25.3	-32.6	0	0	0	113.7	Q252 T256 V297 E300	Q252-P254 WeakPolarHBondContact O-CD 3.41Å; P254-T256 PolarHBondContact O-N 3.04Å; P254-T256 VanDerWaalsContact O-N 3.15Å; P254-V297 HydrophobicContact CG-CG1 4.17Å; P254-E300 VanDerWaalsContact CG-OE2 3.24Å; P254-E300 WeakPolarHBondContact CG-OE2 3.28Å
255	C	66.6	Low	65.8	Low	11 Å²	11	85.1 Å²	85.1	7%	0.074	54%	0.537	C	S	.	.			trans	-72.6	106.4	177.9	175.3	0	0	0	0	111.1	R177 S253 H259 C296	R177-C255 PolarHBondContact NH1-O 2.83Å; R177-C255 PolarHBondContact NH1-SG 3.09Å; R177-C255 VanDerWaalsContact NH1-SG 3.37Å; S253-C255 PolarHBondContact O-N 3.03Å; S253-C255 VanDerWaalsContact O-N 3.15Å; C255-H259 PolarHBondContact SG-CE1 3.09Å; C255-H259 PolarHBondContact SG-NE2 3.44Å; C255-C296 HydrophobicContact CB-CB 4.28Å
256	T	63.6	Low	65.9	Low	95 Å²	95	82.2 Å²	82.2	58%	0.583	51%	0.508	S	S	*	.			trans	-73.2	157.3	172.6	55.2	0	0	0	0	111.3	P254 E258	P254-T256 PolarHBondContact O-N 3.04Å; P254-T256 VanDerWaalsContact O-N 3.15Å; T256-E258 PolarHBondContact O-N 2.72Å
257	S	58	Low	66.5	Low	114 Å²	114	81 Å²	81	80%	0.797	50%	0.499	S	S	*	.	S	Bend	trans	-73.3	-3.2	-170.7	46.9	0	0	0	0	115.7	H259	S257-H259 PolarHBondContact O-N 3.31Å
258	E	67.7	Low	67.9	Low	161 Å²	161	80.4 Å²	80.4	75%	0.752	48%	0.482	S	S	*	.			trans	-104.9	60.6	-168.4	-64.9	-174.1	-179.7	0	0	112.8	T256 C260	T256-E258 PolarHBondContact O-N 2.72Å; E258-C260 PolarHBondContact O-N 2.77Å
259	H	79.4	Confident	69.5	Low	11 Å²	11	81.3 Å²	81.3	5%	0.051	47%	0.474	C	S	.	.			trans	-70.7	115	166.9	-68.7	145.9	0	0	0	109.9	C174 L178 K181 C255 S257 C296	C174-H259 PolarHBondContact O-CE1 3.22Å; L178-H259 HydrophobicContact CD1-CB 3.75Å; L178-H259 PolarHBondContact N-ND1 2.86Å; K181-H259 VanDerWaalsContact CD-O 3.28Å; K181-H259 WeakPolarHBondContact CD-O 3.12Å; K181-H259 WeakPolarHBondContact CE-O 3.24Å; K181-H259 PolarHBondContact NZ-O 2.92Å; C255-H259 PolarHBondContact SG-CE1 3.09Å; C255-H259 PolarHBondContact SG-NE2 3.44Å; S257-H259 PolarHBondContact O-N 3.31Å; H259-C296 PolarHBondContact CD2-SG 3.21Å; H259-C296 PolarHBondContact NE2-SG 3.2Å
260	C	80.6	Confident	71.4	Confident	121 Å²	121	73.7 Å²	73.7	82%	0.818	44%	0.439	S	S	*	.			trans	-75.1	132.3	169	-71.7	0	0	0	0	110.1	E258	E258-C260 PolarHBondContact O-N 2.77Å
261	V	83.1	Confident	73	Confident	25 Å²	25	76.9 Å²	76.9	15%	0.152	44%	0.439	C	S	.	.			trans	-118.3	134.7	176	175.2	0	0	0	0	107.9	L178 K181 E182 E185 L263	L178-V261 HydrophobicContact CD1-CG2 3.9Å; K181-V261 HydrophobicContact CB-CG2 3.98Å; K181-V261 HydrophobicContact CD-CG2 3.74Å; K181-V261 HydrophobicContact CG-CG2 3.72Å; E182-V261 HydrophobicContact CB-CG1 4.4Å; E182-V261 HydrophobicContact CG-CG1 3.89Å; E182-V261 HydrophobicContact CG-CG2 3.95Å; E185-V261 WeakPolarHBondContact OE1-CB 3.4Å; E185-V261 WeakPolarHBondContact OE2-CB 3.36Å; E185-V261 WeakPolarHBondContact OE2-CG1 3.26Å; V261-L263 HydrophobicContact CG1-CD1 4.26Å; V261-L263 HydrophobicContact CG1-CD2 4.33Å; V261-L263 HydrophobicContact CG1-CG 3.8Å
262	N	85.3	Confident	74.3	Confident	103 Å²	103	76.9 Å²	76.9	55%	0.551	43%	0.427	S	S	*	.			trans	-129	113.5	170.6	-178	-43.3	0	0	0	108.2	D264	N262-D264 PolarHBondContact ND2-OD2 3.18Å; N262-D264 WeakPolarHBondContact OD1-CB 3.47Å; N262-D264 PolarHBondContact OD1-N 2.84Å; N262-D264 PolarHBondContact OD1-OD2 2.99Å
263	L	85.6	Confident	74.8	Confident	9 Å²	9	71.4 Å²	71.4	5%	0.047	41%	0.408	C	S	.	.			trans	-108	7.6	178.8	-68.2	177.3	0	0	0	113.3	L131 E185 A186 V261 A265 W266 I267	L131-L263 HydrophobicContact CD2-CD2 3.82Å; E185-L263 HydrophobicContact CB-CD1 3.6Å; A186-L263 HydrophobicContact CB-CD1 4.07Å; V261-L263 HydrophobicContact CG1-CD1 4.26Å; V261-L263 HydrophobicContact CG1-CD2 4.33Å; V261-L263 HydrophobicContact CG1-CG 3.8Å; L263-A265 VanDerWaalsContact C-N 3.31Å; L263-A265 PolarHBondContact O-N 3.37Å; L263-W266 HydrophobicContact CB-CE3 4.46Å; L263-W266 HydrophobicContact CD2-CB 4.48Å; L263-W266 WeakPolarHBondContact O-CA 3.49Å; L263-W266 WeakPolarHBondContact O-CB 3.35Å; L263-W266 PolarHBondContact O-N 3.45Å; L263-I267 HydrophobicContact CB-CD1 4.03Å; L263-I267 HydrophobicContact CB-CG1 4.19Å; L263-I267 VanDerWaalsContact O-CG1 3.31Å; L263-I267 WeakPolarHBondContact O-CG1 3.31Å; L263-I267 PolarHBondContact O-N 2.88Å
264	D	85.6	Confident	74.5	Confident	105 Å²	105	71 Å²	71	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-56.5	-44.9	-172.1	-66.7	-33.3	0	0	0	112.2	N262 W266 I267 T268	N262-D264 PolarHBondContact ND2-OD2 3.18Å; N262-D264 WeakPolarHBondContact OD1-CB 3.47Å; N262-D264 PolarHBondContact OD1-N 2.84Å; N262-D264 PolarHBondContact OD1-OD2 2.99Å; D264-W266 VanDerWaalsContact C-N 3.34Å; D264-W266 PolarHBondContact O-N 3.3Å; D264-I267 PolarHBondContact O-N 3.39Å; D264-T268 VanDerWaalsContact O-CB 3.29Å; D264-T268 WeakPolarHBondContact O-CB 3.32Å; D264-T268 PolarHBondContact O-N 3.34Å; D264-T268 PolarHBondContact O-OG1 3.02Å
265	A	81.1	Confident	73.8	Confident	69 Å²	69	71.1 Å²	71.1	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-64.4	-38.6	178	0	0	0	0	0	112.3	L263 T269	L263-A265 VanDerWaalsContact C-N 3.31Å; L263-A265 PolarHBondContact O-N 3.37Å; A265-T269 PolarHBondContact O-N 3.32Å; A265-T269 VanDerWaalsContact O-N 3.08Å; A265-T269 PolarHBondContact O-OG1 3.39Å
266	W	85.4	Confident	72.6	Confident	25 Å²	25	79.3 Å²	79.3	10%	0.095	46%	0.455	C	S	.	.	H	α-helix	trans	-69.1	-47	177.6	178.6	80.3	0	0	0	111.2	L131 A186 L190 L228 I232 L263 D264 T268 T269 L270	L131-W266 HydrophobicContact CD2-CD2 3.66Å; L131-W266 HydrophobicContact CD2-CE3 4.06Å; L131-W266 HydrophobicContact CD2-CG 4.08Å; L131-W266 HydrophobicContact CD2-CH2 4.19Å; L131-W266 HydrophobicContact CD2-CZ2 3.78Å; L131-W266 HydrophobicContact CD2-CZ3 4.32Å; L131-W266 HydrophobicContact CG-CZ2 4.26Å; A186-W266 HydrophobicContact CB-CH2 3.67Å; A186-W266 HydrophobicContact CB-CZ3 3.72Å; L190-W266 HydrophobicContact CD1-CH2 4.2Å; L190-W266 HydrophobicContact CG-CH2 4.19Å; L228-W266 HydrophobicContact CD2-CH2 4.47Å; L228-W266 HydrophobicContact CD2-CZ2 3.92Å; I232-W266 HydrophobicContact CD1-CH2 4.08Å; I232-W266 HydrophobicContact CD1-CZ2 4.1Å; L263-W266 HydrophobicContact CB-CE3 4.46Å; L263-W266 HydrophobicContact CD2-CB 4.48Å; L263-W266 WeakPolarHBondContact O-CA 3.49Å; L263-W266 WeakPolarHBondContact O-CB 3.35Å; L263-W266 PolarHBondContact O-N 3.45Å; D264-W266 VanDerWaalsContact C-N 3.34Å; D264-W266 PolarHBondContact O-N 3.3Å; W266-T268 VanDerWaalsContact C-N 3.29Å; W266-T268 PolarHBondContact O-N 3.47Å; W266-T269 WeakPolarHBondContact O-CB 3.28Å; W266-T269 PolarHBondContact O-N 3.38Å; W266-T269 VanDerWaalsContact O-N 3.08Å; W266-L270 HydrophobicContact CD2-CD1 4.18Å; W266-L270 HydrophobicContact CE3-CD1 3.95Å; W266-L270 HydrophobicContact CH2-CD1 3.53Å; W266-L270 HydrophobicContact CZ2-CD1 3.78Å; W266-L270 HydrophobicContact CZ2-CG 4.44Å; W266-L270 HydrophobicContact CZ3-CD1 3.61Å; W266-L270 PolarHBondContact O-N 2.95Å
267	I	84.7	Confident	71.1	Confident	30 Å²	30	81 Å²	81	15%	0.154	47%	0.47	C	S	.	.	H	α-helix	trans	-59	-42.2	175.7	-63.6	169.3	0	0	0	110.5	A189 L263 D264 T269 L270 R271	A189-I267 HydrophobicContact CB-CD1 3.74Å; A189-I267 HydrophobicContact CB-CG1 3.9Å; L263-I267 HydrophobicContact CB-CD1 4.03Å; L263-I267 HydrophobicContact CB-CG1 4.19Å; L263-I267 VanDerWaalsContact O-CG1 3.31Å; L263-I267 WeakPolarHBondContact O-CG1 3.31Å; L263-I267 PolarHBondContact O-N 2.88Å; D264-I267 PolarHBondContact O-N 3.39Å; I267-T269 VanDerWaalsContact C-N 3.3Å; I267-T269 PolarHBondContact O-N 3.47Å; I267-L270 WeakPolarHBondContact O-CB 3.38Å; I267-L270 PolarHBondContact O-N 3.41Å; I267-R271 PolarHBondContact O-N 2.98Å
268	T	85	Confident	69.9	Low	55 Å²	55	80.1 Å²	80.1	34%	0.337	46%	0.464	S	S	.	.	H	α-helix	trans	-61.7	-39.8	176.6	-58	0	0	0	0	111.6	D264 W266 L270 R271 Q272	D264-T268 VanDerWaalsContact O-CB 3.29Å; D264-T268 WeakPolarHBondContact O-CB 3.32Å; D264-T268 PolarHBondContact O-N 3.34Å; D264-T268 PolarHBondContact O-OG1 3.02Å; W266-T268 VanDerWaalsContact C-N 3.29Å; W266-T268 PolarHBondContact O-N 3.47Å; T268-L270 VanDerWaalsContact C-N 3.33Å; T268-L270 PolarHBondContact O-N 2.72Å; T268-R271 PolarHBondContact O-N 3.2Å; T268-Q272 HydrophobicContact CG2-CG 4.45Å; T268-Q272 WeakPolarHBondContact O-CG 3.4Å; T268-Q272 PolarHBondContact O-N 3.13Å
269	T	81.8	Confident	68.1	Low	86 Å²	86	80.4 Å²	80.4	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-65.3	-36.3	177.4	-53	0	0	0	0	111.9	A265 W266 I267 R271 Q272	A265-T269 PolarHBondContact O-N 3.32Å; A265-T269 VanDerWaalsContact O-N 3.08Å; A265-T269 PolarHBondContact O-OG1 3.39Å; W266-T269 WeakPolarHBondContact O-CB 3.28Å; W266-T269 PolarHBondContact O-N 3.38Å; W266-T269 VanDerWaalsContact O-N 3.08Å; I267-T269 VanDerWaalsContact C-N 3.3Å; I267-T269 PolarHBondContact O-N 3.47Å; T269-R271 VanDerWaalsContact C-N 3.31Å; T269-R271 PolarHBondContact O-N 3.22Å; T269-Q272 PolarHBondContact O-N 3.05Å
270	L	81	Confident	65.9	Low	26 Å²	26	84.9 Å²	84.9	14%	0.136	50%	0.498	C	S	.	.	H	α-helix	trans	-62.5	-38.6	174.4	-69	177.3	0	0	0	111.9	L190 L193 F225 L228 W266 I267 T268 S273	L190-L270 HydrophobicContact CD2-CD1 3.94Å; L193-L270 HydrophobicContact CD1-CB 4.15Å; L193-L270 HydrophobicContact CD1-CD1 4Å; F225-L270 HydrophobicContact CE1-CB 4.24Å; L228-L270 HydrophobicContact CD2-CD2 3.84Å; W266-L270 HydrophobicContact CD2-CD1 4.18Å; W266-L270 HydrophobicContact CE3-CD1 3.95Å; W266-L270 HydrophobicContact CH2-CD1 3.53Å; W266-L270 HydrophobicContact CZ2-CD1 3.78Å; W266-L270 HydrophobicContact CZ2-CG 4.44Å; W266-L270 HydrophobicContact CZ3-CD1 3.61Å; W266-L270 PolarHBondContact O-N 2.95Å; I267-L270 WeakPolarHBondContact O-CB 3.38Å; I267-L270 PolarHBondContact O-N 3.41Å; T268-L270 VanDerWaalsContact C-N 3.33Å; T268-L270 PolarHBondContact O-N 2.72Å; L270-S273 PolarHBondContact O-OG 2.64Å
271	R	79	Confident	63.7	Low	147 Å²	147	88.3 Å²	88.3	56%	0.555	50%	0.499	S	S	*	.	H	α-helix	trans	-71.2	-34	179.9	-68.4	177.6	177.5	157.8	2.4	113.9	L193 I267 T268 T269	L193-R271 HydrophobicContact CD2-CG 3.91Å; I267-R271 PolarHBondContact O-N 2.98Å; T268-R271 PolarHBondContact O-N 3.2Å; T269-R271 VanDerWaalsContact C-N 3.31Å; T269-R271 PolarHBondContact O-N 3.22Å
272	Q	69.3	Low	61.6	Low	136 Å²	136	95.5 Å²	95.5	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-85.5	-5.6	-170.4	-72.2	177.6	-5.5	0	0	115	T268 T269 S274	T268-Q272 HydrophobicContact CG2-CG 4.45Å; T268-Q272 WeakPolarHBondContact O-CG 3.4Å; T268-Q272 PolarHBondContact O-N 3.13Å; T269-Q272 PolarHBondContact O-N 3.05Å; Q272-S274 VanDerWaalsContact C-N 3.26Å; Q272-S274 PolarHBondContact O-N 3.13Å; Q272-S274 VanDerWaalsContact O-N 3.13Å
273	S	57.2	Low	59.5	Low	56 Å²	56	95 Å²	95	39%	0.392	54%	0.539	S	S	.	.	S	Bend	trans	-83	15.7	-165.4	68.9	0	0	0	0	116.3	R224 L270	R224-S273 PolarHBondContact NH1-OG 3.12Å; L270-S273 PolarHBondContact O-OG 2.64Å
274	S	47.7	Very low	57.7	Low	41 Å²	41	100.6 Å²	100.6	29%	0.287	57%	0.565	S	S	.	*	S	Bend	trans	-135	113.7	174.9	77.4	0	0	0	0	111.5	E217 N221 Q272	E217-S274 WeakPolarHBondContact OE1-CB 3.49Å; E217-S274 PolarHBondContact OE1-OG 3.49Å; N221-S274 PolarHBondContact ND2-OG 3.14Å; Q272-S274 VanDerWaalsContact C-N 3.26Å; Q272-S274 PolarHBondContact O-N 3.13Å; Q272-S274 VanDerWaalsContact O-N 3.13Å
275	G	42.7	Very low	56.2	Low	68 Å²	68	103.2 Å²	103.2	70%	0.701	57%	0.567	S	S	*	*	S	Bend	trans	99.9	-4	146	0	0	0	0	0	122
276	Q	40.3	Very low	55.3	Low	182 Å²	182	110.9 Å²	110.9	85%	0.85	58%	0.581	S	S	*	*			trans	-129.2	108.6	174.7	-82.7	-177.4	-5.5	0	0	114.8	S278	Q276-S278 PolarHBondContact O-N 2.72Å
277	S	32.3	Very low	54.7	Low	130 Å²	130	111.9 Å²	111.9	91%	0.909	59%	0.588	S	S	*	*			trans	-69.3	86.5	165.2	57.7	0	0	0	0	110.9
278	S	34.2	Very low	54.7	Low	96 Å²	96	113.2 Å²	113.2	67%	0.671	59%	0.591	S	S	*	*			trans	-150.2	85.2	149.1	53.6	0	0	0	0	107.6	Q276 P280	Q276-S278 PolarHBondContact O-N 2.72Å; S278-P280 VanDerWaalsContact O-CD 3.22Å; S278-P280 WeakPolarHBondContact O-CD 3.27Å
279	M	28.5	Very low	54.9	Low	167 Å²	167	115 Å²	115	82%	0.823	60%	0.598	S	S	*	*			trans	-42.6	118.2	177.6	-77.1	-88.3	-164	0	0	112.7
280	P	34.6	Very low	55.3	Low	105 Å²	105	111.3 Å²	111.3	68%	0.682	58%	0.575	S	S	*	*			trans	-76.6	114.3	130.6	28	-15	0	0	0	105.9	S278 K282	S278-P280 VanDerWaalsContact O-CD 3.22Å; S278-P280 WeakPolarHBondContact O-CD 3.27Å; P280-K282 PolarHBondContact O-N 3.4Å
281	K	34.5	Very low	55.7	Low	194 Å²	194	113.6 Å²	113.6	84%	0.843	59%	0.587	S	S	*	*	S	Bend	trans	-27.3	125	171.7	-66.1	170.6	177.8	174.8	0	110.9	A283	K281-A283 PolarHBondContact O-N 3.05Å
282	K	38.3	Very low	56.2	Low	175 Å²	175	108.5 Å²	108.5	76%	0.761	58%	0.576	S	S	*	*			trans	14.1	87.6	162.9	-72.9	177.4	176.2	179.9	0	110.8	P280 Q284	P280-K282 PolarHBondContact O-N 3.4Å; K282-Q284 PolarHBondContact O-N 2.95Å
283	A	41.3	Very low	57.3	Low	94 Å²	94	102 Å²	102	78%	0.777	55%	0.546	S	S	*	.			trans	-63.2	79.9	158.1	0	0	0	0	0	105.1	K281 R285	K281-A283 PolarHBondContact O-N 3.05Å; A283-R285 PolarHBondContact O-N 3.35Å
284	Q	46.7	Very low	58.9	Low	126 Å²	126	99.4 Å²	99.4	59%	0.589	53%	0.528	S	S	*	.			trans	-57.3	111	-176.4	-165.7	140.5	-22.4	0	0	103.2	K282 R286	K282-Q284 PolarHBondContact O-N 2.95Å; Q284-R286 WeakPolarHBondContact O-CA 3.19Å; Q284-R286 PolarHBondContact O-N 3.4Å
285	R	55.1	Low	60.9	Low	160 Å²	160	100.4 Å²	100.4	60%	0.604	53%	0.533	S	S	*	.			trans	-45.3	99	175.9	-79.4	178.6	174.7	180	-5.8	105.8	E50 A283 L287	E50-R285 IonicContact OE2-NH1 3.21Å; A283-R285 PolarHBondContact O-N 3.35Å; R285-L287 PolarHBondContact O-N 3.26Å
286	R	62.5	Low	63.1	Low	229 Å²	229	99.2 Å²	99.2	86%	0.864	51%	0.514	S	S	*	.			trans	-70.6	111	-172.5	-87.9	-170.5	-179.4	-171.5	-0.7	104.4	Q284 R288	Q284-R286 WeakPolarHBondContact O-CA 3.19Å; Q284-R286 PolarHBondContact O-N 3.4Å; R286-R288 PolarHBondContact O-N 3.19Å; R286-R288 VanDerWaalsContact O-N 3.11Å
287	L	72.9	Confident	65.6	Low	46 Å²	46	90.8 Å²	90.8	24%	0.241	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-48	118.4	177.8	-169	81.6	0	0	0	108.9	E47 S49 R285 L289	E47-L287 VanDerWaalsContact OE1-CD2 3.23Å; E47-L287 WeakPolarHBondContact OE1-CD2 3.33Å; S49-L287 WeakPolarHBondContact OG-CD1 3.48Å; R285-L287 PolarHBondContact O-N 3.26Å; L287-L289 PolarHBondContact O-N 3.02Å
288	R	84	Confident	68.4	Low	58 Å²	58	88 Å²	88	22%	0.219	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-68.2	126.7	171.9	-76.4	-175.6	171.8	-178.8	-2.1	108.6	E130 R138 E182 R286 A292 L293	E130-R288 WeakPolarHBondContact OE1-CB 3.19Å; E130-R288 WeakPolarHBondContact OE1-CG 3.39Å; R138-R288 PolarHBondContact NH1-O 2.81Å; R138-R288 PolarHBondContact NH2-O 2.81Å; R138-R288 VanDerWaalsContact NH2-O 3.09Å; E182-R288 VanDerWaalsContact CD-NH1 3.3Å; E182-R288 IonicContact OE1-CZ 3.28Å; E182-R288 IonicContact OE1-NH1 3.49Å; E182-R288 PolarHBondContact OE1-NH1 2.88Å; E182-R288 IonicContact OE1-NH2 2.91Å; E182-R288 PolarHBondContact OE1-NH2 3.04Å; E182-R288 IonicContact OE2-NH1 2.65Å; E182-R288 PolarHBondContact OE2-NH1 3.31Å; R286-R288 PolarHBondContact O-N 3.19Å; R286-R288 VanDerWaalsContact O-N 3.11Å; R288-A292 HydrophobicContact CB-CB 4.22Å; R288-A292 HydrophobicContact CG-CB 4.46Å; R288-L293 HydrophobicContact CB-CD2 4.16Å; R288-L293 HydrophobicContact CB-CG 4.45Å
289	L	88.8	Confident	71.1	Confident	92 Å²	92	90.8 Å²	90.8	48%	0.482	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-72.2	160.9	174.6	-66.3	173.3	0	0	0	109.9	L287 N291 A292 L293	L287-L289 PolarHBondContact O-N 3.02Å; L289-N291 WeakPolarHBondContact CB-OD1 3.36Å; L289-N291 PolarHBondContact O-N 3.25Å; L289-A292 WeakPolarHBondContact O-CA 3.45Å; L289-A292 WeakPolarHBondContact O-CB 3.1Å; L289-A292 PolarHBondContact O-N 2.92Å; L289-L293 PolarHBondContact O-N 3.42Å
290	L	89.7	Confident	74.1	Confident	10 Å²	10	87 Å²	87	5%	0.052	43%	0.428	C	S	.	.	H	α-helix	trans	-54.6	-37.6	-178.8	-171.8	70.3	0	0	0	113	L45 L128 F140 L171 A292 L293 A294 Y298 F301	L45-L290 HydrophobicContact CD2-CD1 4.42Å; L45-L290 HydrophobicContact CD2-CD2 3.39Å; L45-L290 HydrophobicContact CD2-CG 4.44Å; L128-L290 HydrophobicContact CD1-CD1 3.73Å; F140-L290 HydrophobicContact CE1-CD1 3.96Å; F140-L290 HydrophobicContact CZ-CD1 4.28Å; L171-L290 HydrophobicContact CD1-CD1 4.18Å; L171-L290 HydrophobicContact CD1-CD2 4.12Å; L171-L290 HydrophobicContact CD1-CG 4.34Å; L171-L290 HydrophobicContact CD2-CD1 3.97Å; L290-A292 PolarHBondContact O-N 3.22Å; L290-L293 PolarHBondContact O-N 3.06Å; L290-A294 PolarHBondContact O-N 3.01Å; L290-Y298 HydrophobicContact CB-CD2 4.25Å; L290-Y298 HydrophobicContact CB-CE2 4.08Å; L290-Y298 HydrophobicContact CD2-CD2 4.04Å; L290-Y298 HydrophobicContact CD2-CE2 3.99Å; L290-Y298 HydrophobicContact CG-CD2 4.14Å; L290-Y298 HydrophobicContact CG-CE2 4.31Å; L290-F301 HydrophobicContact CD2-CD1 4.21Å; L290-F301 HydrophobicContact CD2-CE1 3.95Å
291	N	90.4	Very high	76.9	Confident	73 Å²	73	82.4 Å²	82.4	39%	0.39	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-24.5	176.7	68.2	-17.5	0	0	0	113.4	L289 P295 Y298	L289-N291 WeakPolarHBondContact CB-OD1 3.36Å; L289-N291 PolarHBondContact O-N 3.25Å; N291-P295 WeakPolarHBondContact O-CA 3.34Å; N291-P295 WeakPolarHBondContact O-CB 3.38Å; N291-Y298 HydrophobicContact CB-CD1 3.64Å; N291-Y298 HydrophobicContact CB-CD2 3.74Å; N291-Y298 HydrophobicContact CB-CE1 3.93Å; N291-Y298 HydrophobicContact CB-CE2 4.01Å; N291-Y298 HydrophobicContact CB-CG 3.54Å
292	A	90	Very high	79.7	Confident	40 Å²	40	73.9 Å²	73.9	33%	0.331	36%	0.361	S	S	.	.	H	α-helix	trans	-84.3	-26.1	173.1	0	0	0	0	0	112.2	L178 R288 L289 L290	L178-A292 WeakPolarHBondContact CD2-O 3.12Å; R288-A292 HydrophobicContact CB-CB 4.22Å; R288-A292 HydrophobicContact CG-CB 4.46Å; L289-A292 WeakPolarHBondContact O-CA 3.45Å; L289-A292 WeakPolarHBondContact O-CB 3.1Å; L289-A292 PolarHBondContact O-N 2.92Å; L290-A292 PolarHBondContact O-N 3.22Å
293	L	91.4	Very high	82.2	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-81.2	-26.3	178.3	-64.1	178.4	0	0	0	113.2	L128 E130 F140 N175 R288 L289 L290	L128-L293 HydrophobicContact CD1-CB 4.36Å; L128-L293 HydrophobicContact CD1-CD1 4.13Å; E130-L293 HydrophobicContact CB-CD2 4.12Å; E130-L293 HydrophobicContact CG-CD2 4.27Å; F140-L293 HydrophobicContact CE2-CD1 4.14Å; F140-L293 HydrophobicContact CZ-CD1 3.76Å; N175-L293 WeakPolarHBondContact CA-O 3.15Å; N175-L293 WeakPolarHBondContact CB-O 3.42Å; N175-L293 PolarHBondContact ND2-O 2.95Å; R288-L293 HydrophobicContact CB-CD2 4.16Å; R288-L293 HydrophobicContact CB-CG 4.45Å; L289-L293 PolarHBondContact O-N 3.42Å; L290-L293 PolarHBondContact O-N 3.06Å
294	A	91.7	Very high	84.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-147.9	66.4	-179.8	0	0	0	0	0	111.7	L171 C174 L290 C296 V297 Y298	L171-A294 HydrophobicContact CD2-CB 4.08Å; L171-A294 HydrophobicContact CG-CB 3.86Å; C174-A294 HydrophobicContact CB-CB 4.18Å; L290-A294 PolarHBondContact O-N 3.01Å; A294-C296 PolarHBondContact O-N 3.02Å; A294-V297 HydrophobicContact CB-CG2 3.91Å; A294-V297 PolarHBondContact O-N 3.08Å; A294-Y298 PolarHBondContact O-N 3.15Å
295	P	90	Very high	86.9	Confident	62 Å²	62	58.9 Å²	58.9	40%	0.403	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-63.2	-39.8	-168.7	23.5	-33.6	0	0	0	114	N291 V297	N291-P295 WeakPolarHBondContact O-CA 3.34Å; N291-P295 WeakPolarHBondContact O-CB 3.38Å; P295-V297 PolarHBondContact O-N 3.26Å
296	C	89.1	Confident	88.7	Confident	44 Å²	44	57.1 Å²	57.1	30%	0.297	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67.8	-22.3	-174.3	-61.2	0	0	0	0	114.2	C255 H259 A294	C255-C296 HydrophobicContact CB-CB 4.28Å; H259-C296 PolarHBondContact CD2-SG 3.21Å; H259-C296 PolarHBondContact NE2-SG 3.2Å; A294-C296 PolarHBondContact O-N 3.02Å
297	V	91	Very high	89.9	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.03	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-119.2	-0.9	-171.8	-60.9	0	0	0	0	112.8	L171 C174 P254 A294 P295 E299 E300 F301	L171-V297 HydrophobicContact CG-CG2 4.48Å; C174-V297 HydrophobicContact CB-CG1 4.16Å; C174-V297 HydrophobicContact CB-CG2 3.69Å; P254-V297 HydrophobicContact CG-CG1 4.17Å; A294-V297 HydrophobicContact CB-CG2 3.91Å; A294-V297 PolarHBondContact O-N 3.08Å; P295-V297 PolarHBondContact O-N 3.26Å; V297-E299 PolarHBondContact O-N 3.37Å; V297-E300 PolarHBondContact O-N 2.86Å; V297-F301 VanDerWaalsContact O-CB 3.23Å; V297-F301 WeakPolarHBondContact O-CB 3.42Å; V297-F301 PolarHBondContact O-N 3.07Å
298	Y	91.6	Very high	90.7	Very high	72 Å²	72	51.4 Å²	51.4	28%	0.282	25%	0.25	S	C	.	.	H	α-helix	trans	-61.8	-44.1	-174.3	177.2	-101.1	0	0	0	113.4	L290 N291 A294 F301 T302	L290-Y298 HydrophobicContact CB-CD2 4.25Å; L290-Y298 HydrophobicContact CB-CE2 4.08Å; L290-Y298 HydrophobicContact CD2-CD2 4.04Å; L290-Y298 HydrophobicContact CD2-CE2 3.99Å; L290-Y298 HydrophobicContact CG-CD2 4.14Å; L290-Y298 HydrophobicContact CG-CE2 4.31Å; N291-Y298 HydrophobicContact CB-CD1 3.64Å; N291-Y298 HydrophobicContact CB-CD2 3.74Å; N291-Y298 HydrophobicContact CB-CE1 3.93Å; N291-Y298 HydrophobicContact CB-CE2 4.01Å; N291-Y298 HydrophobicContact CB-CG 3.54Å; A294-Y298 PolarHBondContact O-N 3.15Å; Y298-F301 PolarHBondContact O-N 3.3Å; Y298-T302 PolarHBondContact O-N 3.38Å; Y298-T302 PolarHBondContact O-OG1 3.25Å
299	E	91.2	Very high	91	Very high	154 Å²	154	49.4 Å²	49.4	72%	0.72	24%	0.243	S	C	*	.	H	α-helix	trans	-66.3	-43.9	177.1	-68.9	-160.6	164.9	0	0	111.5	V297 F301 T302 N303	V297-E299 PolarHBondContact O-N 3.37Å; E299-F301 VanDerWaalsContact C-N 3.35Å; E299-F301 PolarHBondContact O-N 2.97Å; E299-T302 PolarHBondContact O-N 2.97Å; E299-N303 PolarHBondContact O-N 3.49Å; E299-N303 PolarHBondContact O-ND2 2.73Å
300	E	91.2	Very high	90.8	Very high	88 Å²	88	49.1 Å²	49.1	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-41.1	177.4	-174.7	170.8	-165	0	0	111.9	P254 V297 T302 N303 A304	P254-E300 VanDerWaalsContact CG-OE2 3.24Å; P254-E300 WeakPolarHBondContact CG-OE2 3.28Å; V297-E300 PolarHBondContact O-N 2.86Å; E300-T302 PolarHBondContact O-N 3.04Å; E300-N303 CarbonylContact O-C 3.57Å; E300-N303 PolarHBondContact O-N 2.98Å; E300-A304 VanDerWaalsContact O-CB 3.25Å; E300-A304 WeakPolarHBondContact O-CB 3.35Å; E300-A304 PolarHBondContact O-N 3.35Å
301	F	93.9	Very high	90.5	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-46.6	174.2	172.3	-92.1	0	0	0	111.4	L45 L58 L142 L167 L171 L290 V297 Y298 E299 N303 A304 C305	L45-F301 HydrophobicContact CD1-CZ 4.45Å; L45-F301 HydrophobicContact CD2-CE1 4.11Å; L45-F301 HydrophobicContact CD2-CZ 4.1Å; L58-F301 HydrophobicContact CD2-CD1 4.33Å; L58-F301 HydrophobicContact CD2-CE1 3.78Å; L142-F301 HydrophobicContact CD1-CZ 4.29Å; L167-F301 HydrophobicContact CB-CD2 4.04Å; L167-F301 HydrophobicContact CB-CE2 3.81Å; L167-F301 HydrophobicContact CD2-CD2 3.85Å; L167-F301 HydrophobicContact CD2-CE2 4.1Å; L167-F301 HydrophobicContact CG-CE2 4.42Å; L171-F301 HydrophobicContact CD1-CB 4.3Å; L171-F301 HydrophobicContact CD1-CD1 4.28Å; L171-F301 HydrophobicContact CD1-CD2 3.41Å; L171-F301 VanDerWaalsContact CD1-CD2 3.41Å; L171-F301 HydrophobicContact CD1-CE2 3.67Å; L171-F301 HydrophobicContact CD1-CG 3.74Å; L171-F301 HydrophobicContact CD1-CZ 4.24Å; L290-F301 HydrophobicContact CD2-CD1 4.21Å; L290-F301 HydrophobicContact CD2-CE1 3.95Å; V297-F301 VanDerWaalsContact O-CB 3.23Å; V297-F301 WeakPolarHBondContact O-CB 3.42Å; V297-F301 PolarHBondContact O-N 3.07Å; Y298-F301 PolarHBondContact O-N 3.3Å; E299-F301 VanDerWaalsContact C-N 3.35Å; E299-F301 PolarHBondContact O-N 2.97Å; F301-N303 VanDerWaalsContact C-N 3.32Å; F301-N303 PolarHBondContact O-N 2.84Å; F301-A304 PolarHBondContact O-N 3.45Å; F301-C305 PolarHBondContact O-N 3.02Å; F301-C305 PolarHBondContact O-SG 2.81Å
302	T	92.6	Very high	90.2	Very high	14 Å²	14	50.5 Å²	50.5	9%	0.086	25%	0.25	C	C	.	.	H	α-helix	trans	-64.1	-40.3	179	-51.4	0	0	0	0	110.9	L58 Y298 E299 E300 C305 R306	L58-T302 HydrophobicContact CD1-CG2 4.46Å; L58-T302 HydrophobicContact CD2-CG2 4.48Å; Y298-T302 PolarHBondContact O-N 3.38Å; Y298-T302 PolarHBondContact O-OG1 3.25Å; E299-T302 PolarHBondContact O-N 2.97Å; E300-T302 PolarHBondContact O-N 3.04Å; T302-C305 PolarHBondContact O-N 2.9Å; T302-R306 PolarHBondContact O-N 3.36Å
303	N	91.6	Very high	89.7	Confident	76 Å²	76	52.4 Å²	52.4	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-68.5	-39.1	175.8	-71.5	-27.3	0	0	0	112.3	E299 E300 F301 R306 R307	E299-N303 PolarHBondContact O-N 3.49Å; E299-N303 PolarHBondContact O-ND2 2.73Å; E300-N303 CarbonylContact O-C 3.57Å; E300-N303 PolarHBondContact O-N 2.98Å; F301-N303 VanDerWaalsContact C-N 3.32Å; F301-N303 PolarHBondContact O-N 2.84Å; N303-R306 PolarHBondContact O-N 3.32Å; N303-R306 PolarHBondContact OD1-NH1 3.4Å; N303-R307 WeakPolarHBondContact O-CG 3.3Å; N303-R307 PolarHBondContact O-N 2.9Å
304	A	92.4	Very high	88.5	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-40.1	175.4	0	0	0	0	0	111.7	L167 E300 F301 R306 R307 I308	L167-A304 HydrophobicContact CD2-CB 3.36Å; E300-A304 VanDerWaalsContact O-CB 3.25Å; E300-A304 WeakPolarHBondContact O-CB 3.35Å; E300-A304 PolarHBondContact O-N 3.35Å; F301-A304 PolarHBondContact O-N 3.45Å; A304-R306 VanDerWaalsContact C-N 3.33Å; A304-R306 PolarHBondContact O-N 3.2Å; A304-R307 PolarHBondContact O-N 3Å; A304-I308 WeakPolarHBondContact O-CB 3.44Å; A304-I308 WeakPolarHBondContact O-CG1 3.28Å; A304-I308 PolarHBondContact O-N 3.08Å
305	C	94.3	Very high	87.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.5	-46.2	171.6	-68.2	0	0	0	0	111.4	I43 V60 F301 T302 I308 L309	I43-C305 HydrophobicContact CD1-CB 4.41Å; I43-C305 WeakPolarHBondContact CD1-O 3.47Å; V60-C305 HydrophobicContact CG2-CB 4.29Å; F301-C305 PolarHBondContact O-N 3.02Å; F301-C305 PolarHBondContact O-SG 2.81Å; T302-C305 PolarHBondContact O-N 2.9Å; C305-I308 PolarHBondContact O-N 2.84Å; C305-L309 WeakPolarHBondContact O-CB 3.46Å; C305-L309 PolarHBondContact O-N 3.08Å
306	R	92	Very high	85.4	Confident	124 Å²	124	55.3 Å²	55.3	47%	0.468	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-43	176.4	-65.5	-179	-167.4	112.7	0.7	112.3	V60 T302 N303 A304 L309 C310	V60-R306 HydrophobicContact CG1-CG 3.72Å; T302-R306 PolarHBondContact O-N 3.36Å; N303-R306 PolarHBondContact O-N 3.32Å; N303-R306 PolarHBondContact OD1-NH1 3.4Å; A304-R306 VanDerWaalsContact C-N 3.33Å; A304-R306 PolarHBondContact O-N 3.2Å; R306-L309 PolarHBondContact O-N 3.08Å; R306-C310 WeakPolarHBondContact O-CB 3.49Å; R306-C310 PolarHBondContact O-N 2.99Å; R306-C310 PolarHBondContact O-SG 2.83Å
307	R	89.2	Confident	83.4	Confident	152 Å²	152	56.1 Å²	56.1	57%	0.574	26%	0.263	S	S	*	.	H	α-helix	trans	-62.2	-46.6	178.1	-73.2	-174.6	-68	-163.6	0.4	111.9	N303 A304 C310 K311	N303-R307 WeakPolarHBondContact O-CG 3.3Å; N303-R307 PolarHBondContact O-N 2.9Å; A304-R307 PolarHBondContact O-N 3Å; R307-C310 PolarHBondContact O-N 2.88Å; R307-K311 WeakPolarHBondContact O-CB 3.45Å; R307-K311 PolarHBondContact O-N 3.36Å
308	I	89.7	Confident	81.2	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-45.5	177.3	-70.7	165.2	0	0	0	110.1	I43 L159 D162 F163 L166 L167 A304 C305 C310 K311 Y312	I43-I308 HydrophobicContact CD1-CB 4.24Å; I43-I308 HydrophobicContact CD1-CG2 3.99Å; L159-I308 HydrophobicContact CD2-CG2 3.98Å; D162-I308 HydrophobicContact CB-CD1 4.11Å; D162-I308 HydrophobicContact CB-CG1 4.27Å; F163-I308 HydrophobicContact CD1-CD1 4.48Å; F163-I308 HydrophobicContact CD1-CG2 4.35Å; F163-I308 HydrophobicContact CE1-CG2 3.96Å; L166-I308 HydrophobicContact CB-CD1 4.28Å; L166-I308 HydrophobicContact CD1-CD1 4.24Å; L166-I308 HydrophobicContact CD1-CG1 4.36Å; L167-I308 HydrophobicContact CD1-CD1 3.57Å; L167-I308 HydrophobicContact CD2-CD1 4.11Å; L167-I308 HydrophobicContact CG-CD1 3.68Å; A304-I308 WeakPolarHBondContact O-CB 3.44Å; A304-I308 WeakPolarHBondContact O-CG1 3.28Å; A304-I308 PolarHBondContact O-N 3.08Å; C305-I308 PolarHBondContact O-N 2.84Å; I308-C310 PolarHBondContact O-N 2.97Å; I308-K311 PolarHBondContact O-N 2.84Å; I308-Y312 HydrophobicContact CG2-CD2 3.8Å; I308-Y312 HydrophobicContact CG2-CE2 3.9Å; I308-Y312 VanDerWaalsContact O-CD2 3.22Å; I308-Y312 WeakPolarHBondContact O-CD2 3.41Å; I308-Y312 PolarHBondContact O-N 3.29Å; I308-Y312 VanDerWaalsContact O-N 3.12Å
309	L	89.8	Confident	79	Confident	16 Å²	16	61.2 Å²	61.2	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-52	176.1	-175.6	66.3	0	0	0	110.6	D41 I43 V60 Y144 C305 R306 K311 Y312 Y313	D41-L309 HydrophobicContact CB-CD1 4.2Å; I43-L309 HydrophobicContact CD1-CB 4.14Å; I43-L309 HydrophobicContact CG1-CB 4.48Å; I43-L309 HydrophobicContact CG1-CD1 4.39Å; V60-L309 HydrophobicContact CG1-CD2 4.12Å; V60-L309 WeakPolarHBondContact O-CD2 3.47Å; Y144-L309 HydrophobicContact CE2-CD1 3.84Å; C305-L309 WeakPolarHBondContact O-CB 3.46Å; C305-L309 PolarHBondContact O-N 3.08Å; R306-L309 PolarHBondContact O-N 3.08Å; L309-K311 PolarHBondContact O-N 3.08Å; L309-Y312 PolarHBondContact O-N 2.75Å; L309-Y313 WeakPolarHBondContact O-CA 3.42Å; L309-Y313 WeakPolarHBondContact O-CB 2.96Å; L309-Y313 PolarHBondContact O-N 2.71Å
310	C	83.6	Confident	76.7	Confident	85 Å²	85	55.7 Å²	55.7	57%	0.574	27%	0.271	S	S	*	.	H	α-helix	trans	-60	-41.6	178.2	-71.2	0	0	0	0	113.2	R306 R307 I308 Y312 Y313	R306-C310 WeakPolarHBondContact O-CB 3.49Å; R306-C310 PolarHBondContact O-N 2.99Å; R306-C310 PolarHBondContact O-SG 2.83Å; R307-C310 PolarHBondContact O-N 2.88Å; I308-C310 PolarHBondContact O-N 2.97Å; C310-Y312 VanDerWaalsContact C-N 3.29Å; C310-Y312 PolarHBondContact O-N 3.36Å; C310-Y313 PolarHBondContact O-N 3.25Å
311	K	83.1	Confident	74.5	Confident	104 Å²	104	54 Å²	54	45%	0.452	26%	0.261	S	S	.	.	H	α-helix	trans	-55.1	-46.4	177.8	178	-178.5	173.2	-171.7	0	110.8	D162 R307 I308 L309	D162-K311 IonicContact OD1-NZ 3.74Å; D162-K311 PolarHBondContact OD1-NZ 3.45Å; D162-K311 IonicContact OD2-NZ 3.83Å; D162-K311 PolarHBondContact OD2-NZ 3.18Å; R307-K311 WeakPolarHBondContact O-CB 3.45Å; R307-K311 PolarHBondContact O-N 3.36Å; I308-K311 PolarHBondContact O-N 2.84Å; L309-K311 PolarHBondContact O-N 3.08Å
312	Y	85.1	Confident	72	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-95.6	-14.7	-176.2	-63.1	-64.4	0	0	0	114.3	K151 L155 D158 L159 D162 I308 L309 C310 H314 W315	K151-Y312 WeakPolarHBondContact CE-O 3.22Å; K151-Y312 PolarHBondContact NZ-O 2.98Å; L155-Y312 HydrophobicContact CD1-CD1 3.57Å; L155-Y312 HydrophobicContact CD1-CE1 4.39Å; L155-Y312 HydrophobicContact CD1-CG 4.01Å; L155-Y312 HydrophobicContact CD2-CD1 3.58Å; L155-Y312 HydrophobicContact CD2-CE1 3.67Å; L155-Y312 HydrophobicContact CG-CD1 4.14Å; D158-Y312 HydrophobicContact CB-CE1 4.27Å; D158-Y312 WeakPolarHBondContact CB-OH 3.37Å; D158-Y312 PolarHBondContact O-OH 3.26Å; L159-Y312 HydrophobicContact CD2-CD2 3.32Å; L159-Y312 HydrophobicContact CD2-CE2 3.49Å; L159-Y312 VanDerWaalsContact CD2-CE2 3.49Å; L159-Y312 HydrophobicContact CD2-CG 4.06Å; L159-Y312 HydrophobicContact CG-CD2 3.92Å; L159-Y312 HydrophobicContact CG-CE2 3.9Å; L159-Y312 HydrophobicContact CG-CG 4.3Å; D162-Y312 VanDerWaalsContact OD2-CE2 3.23Å; D162-Y312 WeakPolarHBondContact OD2-CE2 3.49Å; D162-Y312 VanDerWaalsContact OD2-CZ 3.31Å; D162-Y312 PolarHBondContact OD2-OH 3.22Å; I308-Y312 HydrophobicContact CG2-CD2 3.8Å; I308-Y312 HydrophobicContact CG2-CE2 3.9Å; I308-Y312 VanDerWaalsContact O-CD2 3.22Å; I308-Y312 WeakPolarHBondContact O-CD2 3.41Å; I308-Y312 PolarHBondContact O-N 3.29Å; I308-Y312 VanDerWaalsContact O-N 3.12Å; L309-Y312 PolarHBondContact O-N 2.75Å; C310-Y312 VanDerWaalsContact C-N 3.29Å; C310-Y312 PolarHBondContact O-N 3.36Å; Y312-H314 VanDerWaalsContact C-N 3.28Å; Y312-H314 PolarHBondContact O-N 3.18Å; Y312-W315 WeakPolarHBondContact O-CB 3.18Å; Y312-W315 PolarHBondContact O-N 3.22Å
313	Y	78.7	Confident	69.6	Low	80 Å²	80	58.4 Å²	58.4	31%	0.314	28%	0.282	S	S	.	.	H	α-helix	trans	-54.5	-46.8	-175.6	-170	-104.7	0	0	0	111.5	E40 D41 K151 L309 C310 W315	E40-Y313 HydrophobicContact CB-CE2 3.9Å; E40-Y313 VanDerWaalsContact CG-OH 3.25Å; E40-Y313 WeakPolarHBondContact CG-OH 3.29Å; D41-Y313 HydrophobicContact CB-CD2 4.17Å; D41-Y313 HydrophobicContact CB-CE2 4.34Å; K151-Y313 PolarHBondContact NZ-O 3.33Å; L309-Y313 WeakPolarHBondContact O-CA 3.42Å; L309-Y313 WeakPolarHBondContact O-CB 2.96Å; L309-Y313 PolarHBondContact O-N 2.71Å; C310-Y313 PolarHBondContact O-N 3.25Å; Y313-W315 VanDerWaalsContact C-N 3.27Å; Y313-W315 PolarHBondContact O-N 3.49Å
314	H	66	Low	67.4	Low	83 Å²	83	57.7 Å²	57.7	38%	0.384	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	7.2	-179.4	-60.3	-65.1	0	0	0	114.3	Y312 S316 P365	Y312-H314 VanDerWaalsContact C-N 3.28Å; Y312-H314 PolarHBondContact O-N 3.18Å; H314-S316 PolarHBondContact O-N 2.99Å; H314-P365 WeakPolarHBondContact O-CG 3.44Å
315	W	65.4	Low	65.2	Low	23 Å²	23	60.6 Å²	60.6	9%	0.087	30%	0.304	C	S	.	.			trans	-54.8	131.2	177.8	-177.8	90.5	0	0	0	110.4	K151 Y154 L155 Y312 Y313 P317 Y321	K151-W315 HydrophobicContact CB-CD2 4.29Å; K151-W315 HydrophobicContact CB-CE3 3.43Å; K151-W315 VanDerWaalsContact CB-CE3 3.43Å; K151-W315 HydrophobicContact CB-CH2 4.26Å; K151-W315 HydrophobicContact CB-CZ3 3.41Å; K151-W315 VanDerWaalsContact CB-CZ3 3.41Å; K151-W315 HydrophobicContact CD-CB 4.31Å; K151-W315 HydrophobicContact CD-CE3 3.93Å; K151-W315 HydrophobicContact CG-CB 4.42Å; K151-W315 HydrophobicContact CG-CD2 3.89Å; K151-W315 HydrophobicContact CG-CE3 3.41Å; K151-W315 VanDerWaalsContact CG-CE3 3.41Å; K151-W315 HydrophobicContact CG-CG 4.35Å; K151-W315 HydrophobicContact CG-CZ3 3.95Å; Y154-W315 VanDerWaalsContact CB-CZ2 3.42Å; Y154-W315 AromaticContact CD2-CH2 3.69Å; Y154-W315 HydrophobicContact CD2-CH2 3.69Å; Y154-W315 AromaticContact CD2-CZ2 3.79Å; Y154-W315 HydrophobicContact CD2-CZ2 3.79Å; Y154-W315 HydrophobicContact CG-CH2 4.12Å; Y154-W315 AromaticContact CG-CZ2 3.73Å; Y154-W315 HydrophobicContact CG-CZ2 3.73Å; L155-W315 HydrophobicContact CD1-CB 3.98Å; L155-W315 HydrophobicContact CD1-CD2 4.24Å; L155-W315 HydrophobicContact CD1-CG 3.77Å; L155-W315 HydrophobicContact CD2-CG 4.09Å; L155-W315 HydrophobicContact CG-CD2 4.31Å; L155-W315 HydrophobicContact CG-CG 4.07Å; Y312-W315 WeakPolarHBondContact O-CB 3.18Å; Y312-W315 PolarHBondContact O-N 3.22Å; Y313-W315 VanDerWaalsContact C-N 3.27Å; Y313-W315 PolarHBondContact O-N 3.49Å; W315-P317 VanDerWaalsContact CH2-CA 3.49Å; W315-P317 HydrophobicContact CH2-CB 3.51Å; W315-P317 HydrophobicContact CH2-CG 4.31Å; W315-P317 HydrophobicContact CZ2-CB 4.4Å; W315-P317 HydrophobicContact CZ3-CB 3.68Å; W315-P317 VanDerWaalsContact CZ3-CD 3.41Å; W315-P317 HydrophobicContact CZ3-CG 3.96Å; W315-Y321 AromaticContact CD1-CE1 3.82Å; W315-Y321 HydrophobicContact CG-CE1 4.41Å
316	S	52.1	Low	62.6	Low	18 Å²	18	66.7 Å²	66.7	13%	0.126	33%	0.333	C	S	.	.			trans	-123.6	134	176.7	-172.9	0	0	0	0	109.3	H314 L318	H314-S316 PolarHBondContact O-N 2.99Å; S316-L318 PolarHBondContact O-N 3.39Å; S316-L318 WeakPolarHBondContact OG-CB 3.44Å; S316-L318 WeakPolarHBondContact OG-CD1 3.3Å; S316-L318 VanDerWaalsContact OG-CG 3.32Å; S316-L318 WeakPolarHBondContact OG-CG 3.5Å; S316-L318 PolarHBondContact OG-N 2.91Å
317	P	47.4	Very low	60.1	Low	61 Å²	61	65.8 Å²	65.8	40%	0.396	33%	0.332	S	S	.	.			trans	-67.6	-4.8	172.7	27.9	-32.2	0	0	0	112.2	W315 L319	W315-P317 VanDerWaalsContact CH2-CA 3.49Å; W315-P317 HydrophobicContact CH2-CB 3.51Å; W315-P317 HydrophobicContact CH2-CG 4.31Å; W315-P317 HydrophobicContact CZ2-CB 4.4Å; W315-P317 HydrophobicContact CZ3-CB 3.68Å; W315-P317 VanDerWaalsContact CZ3-CD 3.41Å; W315-P317 HydrophobicContact CZ3-CG 3.96Å; P317-L319 PolarHBondContact O-N 2.88Å
318	L	44.9	Very low	57.8	Low	60 Å²	60	66.6 Å²	66.6	31%	0.314	34%	0.343	S	S	.	.	S	Bend	trans	-72.4	128.7	-177.3	-62.6	169.1	0	0	0	109.4	S316 P320 Y321 V368	S316-L318 PolarHBondContact O-N 3.39Å; S316-L318 WeakPolarHBondContact OG-CB 3.44Å; S316-L318 WeakPolarHBondContact OG-CD1 3.3Å; S316-L318 VanDerWaalsContact OG-CG 3.32Å; S316-L318 WeakPolarHBondContact OG-CG 3.5Å; S316-L318 PolarHBondContact OG-N 2.91Å; L318-P320 VanDerWaalsContact O-CD 3.31Å; L318-P320 WeakPolarHBondContact O-CD 3.23Å; L318-Y321 PolarHBondContact O-N 3.36Å; L318-V368 HydrophobicContact CD1-CB 4.39Å; L318-V368 HydrophobicContact CD1-CG1 3.46Å; L318-V368 VanDerWaalsContact CD1-CG1 3.46Å
319	L	44	Very low	55.8	Low	123 Å²	123	71.2 Å²	71.2	64%	0.644	37%	0.373	S	S	*	.	H	α-helix	trans	-38.4	-41.8	177.5	-171.3	70.5	0	0	0	114.3	P317 Y321 H322 L323	P317-L319 PolarHBondContact O-N 2.88Å; L319-Y321 VanDerWaalsContact C-N 3.3Å; L319-Y321 PolarHBondContact O-N 3.38Å; L319-H322 PolarHBondContact O-N 2.61Å; L319-L323 HydrophobicContact CD1-CD1 4.44Å; L319-L323 HydrophobicContact CD1-CD2 4.45Å; L319-L323 HydrophobicContact CD1-CG 4.29Å; L319-L323 HydrophobicContact CD2-CD1 4.19Å; L319-L323 HydrophobicContact CG-CD1 3.77Å; L319-L323 HydrophobicContact CG-CG 4.06Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.39Å; L319-L323 PolarHBondContact O-N 3.43Å
320	P	43.7	Very low	54	Low	39 Å²	39	71.6 Å²	71.6	25%	0.253	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-37.1	179.6	-25.2	36.3	0	0	0	114.2	L318 T324 L338 V368	L318-P320 VanDerWaalsContact O-CD 3.31Å; L318-P320 WeakPolarHBondContact O-CD 3.23Å; P320-T324 WeakPolarHBondContact O-CG2 3.3Å; P320-T324 PolarHBondContact O-N 2.69Å; P320-T324 PolarHBondContact O-OG1 3.42Å; P320-T324 VanDerWaalsContact O-OG1 3.06Å; P320-L338 HydrophobicContact CG-CD1 4.45Å; P320-V368 HydrophobicContact CG-CG2 4.44Å
321	Y	44.3	Very low	52.9	Low	52 Å²	52	68.3 Å²	68.3	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-71	-44.5	-179.8	-174	-103.3	0	0	0	111.5	W315 L318 L319 L323 T324 A325 P365	W315-Y321 AromaticContact CD1-CE1 3.82Å; W315-Y321 HydrophobicContact CG-CE1 4.41Å; L318-Y321 PolarHBondContact O-N 3.36Å; L319-Y321 VanDerWaalsContact C-N 3.3Å; L319-Y321 PolarHBondContact O-N 3.38Å; Y321-L323 VanDerWaalsContact C-N 3.33Å; Y321-L323 PolarHBondContact O-N 2.93Å; Y321-T324 WeakPolarHBondContact CA-OG1 3.45Å; Y321-T324 PolarHBondContact O-N 2.88Å; Y321-T324 PolarHBondContact O-OG1 2.74Å; Y321-A325 WeakPolarHBondContact O-CB 3.07Å; Y321-A325 PolarHBondContact O-N 2.84Å; Y321-P365 HydrophobicContact CD2-CG 3.23Å; Y321-P365 HydrophobicContact CE2-CG 3.75Å; Y321-P365 HydrophobicContact CG-CG 3.92Å
322	H	43.2	Very low	52.3	Low	61 Å²	61	64.9 Å²	64.9	28%	0.282	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-41.6	174.8	-108.2	-50.4	0	0	0	111.9	Y154 L319 A325 H326	Y154-H322 AromaticContact CD1-NE2 3.93Å; L319-H322 PolarHBondContact O-N 2.61Å; H322-A325 PolarHBondContact O-N 3.38Å; H322-H326 AromaticContact CE1-NE2 3.61Å; H322-H326 AromaticContact ND1-CD2 3.25Å; H322-H326 PolarHBondContact ND1-CD2 2.7Å; H322-H326 VanDerWaalsContact ND1-CD2 3.25Å; H322-H326 AromaticContact ND1-NE2 3.27Å; H322-H326 PolarHBondContact ND1-NE2 3.33Å; H322-H326 PolarHBondContact O-CD2 2.92Å; H322-H326 PolarHBondContact O-N 3.12Å
323	L	42.2	Very low	51.7	Low	53 Å²	53	64.4 Å²	64.4	28%	0.277	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-46.1	174.5	-64	172.2	0	0	0	110.4	L319 Y321 A325 F327 Y342	L319-L323 HydrophobicContact CD1-CD1 4.44Å; L319-L323 HydrophobicContact CD1-CD2 4.45Å; L319-L323 HydrophobicContact CD1-CG 4.29Å; L319-L323 HydrophobicContact CD2-CD1 4.19Å; L319-L323 HydrophobicContact CG-CD1 3.77Å; L319-L323 HydrophobicContact CG-CG 4.06Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.39Å; L319-L323 PolarHBondContact O-N 3.43Å; Y321-L323 VanDerWaalsContact C-N 3.33Å; Y321-L323 PolarHBondContact O-N 2.93Å; L323-A325 PolarHBondContact O-N 3.48Å; L323-F327 HydrophobicContact CB-CD2 4.18Å; L323-F327 HydrophobicContact CB-CE2 3.9Å; L323-F327 HydrophobicContact CD2-CE2 3.48Å; L323-F327 VanDerWaalsContact CD2-CE2 3.48Å; L323-F327 HydrophobicContact CD2-CZ 3.99Å; L323-F327 HydrophobicContact CG-CE2 4.23Å; L323-F327 WeakPolarHBondContact O-CD2 3.08Å; L323-F327 PolarHBondContact O-N 3.17Å; L323-Y342 HydrophobicContact CB-CD2 4.5Å; L323-Y342 HydrophobicContact CB-CE2 3.8Å; L323-Y342 HydrophobicContact CD1-CE2 4.13Å
324	T	45.4	Very low	51.7	Low	62 Å²	62	61.8 Å²	61.8	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-65.8	-31.3	179	47.5	0	0	0	0	115.1	P320 Y321 P339 Y342	P320-T324 WeakPolarHBondContact O-CG2 3.3Å; P320-T324 PolarHBondContact O-N 2.69Å; P320-T324 PolarHBondContact O-OG1 3.42Å; P320-T324 VanDerWaalsContact O-OG1 3.06Å; Y321-T324 WeakPolarHBondContact CA-OG1 3.45Å; Y321-T324 PolarHBondContact O-N 2.88Å; Y321-T324 PolarHBondContact O-OG1 2.74Å; T324-P339 HydrophobicContact CG2-CG 4.42Å; T324-Y342 HydrophobicContact CG2-CE1 4.41Å; T324-Y342 WeakPolarHBondContact CG2-OH 3.4Å
325	A	44.4	Very low	52.3	Low	64 Å²	64	57.9 Å²	57.9	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-86.9	-28.9	-173.7	0	0	0	0	0	113.5	Y321 H322 L323	Y321-A325 WeakPolarHBondContact O-CB 3.07Å; Y321-A325 PolarHBondContact O-N 2.84Å; H322-A325 PolarHBondContact O-N 3.38Å; L323-A325 PolarHBondContact O-N 3.48Å
326	H	39.7	Very low	52.7	Low	129 Å²	129	56.8 Å²	56.8	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-100.9	-12.3	-175.4	-74.3	-81.5	0	0	0	114.9	H322 E328	H322-H326 AromaticContact CE1-NE2 3.61Å; H322-H326 AromaticContact ND1-CD2 3.25Å; H322-H326 PolarHBondContact ND1-CD2 2.7Å; H322-H326 VanDerWaalsContact ND1-CD2 3.25Å; H322-H326 AromaticContact ND1-NE2 3.27Å; H322-H326 PolarHBondContact ND1-NE2 3.33Å; H322-H326 PolarHBondContact O-CD2 2.92Å; H322-H326 PolarHBondContact O-N 3.12Å; H326-E328 PolarHBondContact O-N 3.28Å
327	F	40.4	Very low	53.4	Low	104 Å²	104	58.3 Å²	58.3	46%	0.456	32%	0.317	S	S	.	.	S	Bend	trans	-81.7	113.7	171.6	-69.1	-62	0	0	0	110.2	L323 S330 Y342	L323-F327 HydrophobicContact CB-CD2 4.18Å; L323-F327 HydrophobicContact CB-CE2 3.9Å; L323-F327 HydrophobicContact CD2-CE2 3.48Å; L323-F327 VanDerWaalsContact CD2-CE2 3.48Å; L323-F327 HydrophobicContact CD2-CZ 3.99Å; L323-F327 HydrophobicContact CG-CE2 4.23Å; L323-F327 WeakPolarHBondContact O-CD2 3.08Å; L323-F327 PolarHBondContact O-N 3.17Å; F327-S330 WeakPolarHBondContact CB-OG 3.47Å; F327-Y342 AromaticContact CD2-CD1 3.78Å; F327-Y342 HydrophobicContact CD2-CD1 3.78Å; F327-Y342 HydrophobicContact CD2-CD2 4.35Å; F327-Y342 HydrophobicContact CD2-CE1 4.2Å; F327-Y342 AromaticContact CD2-CG 3.86Å; F327-Y342 HydrophobicContact CD2-CG 3.86Å; F327-Y342 HydrophobicContact CE2-CD1 4.42Å; F327-Y342 HydrophobicContact CE2-CD2 4.21Å; F327-Y342 HydrophobicContact CE2-CG 4.05Å; F327-Y342 HydrophobicContact CG-CD1 4.49Å
328	E	40.3	Very low	54.3	Low	170 Å²	170	57 Å²	57	79%	0.794	31%	0.306	S	S	*	.			trans	-37.9	158.7	153.5	-88.8	-177.1	169.7	0	0	111.8	H326 S330	H326-E328 PolarHBondContact O-N 3.28Å; E328-S330 VanDerWaalsContact C-N 3.35Å; E328-S330 WeakPolarHBondContact O-CA 3.48Å; E328-S330 VanDerWaalsContact O-CB 3.24Å; E328-S330 WeakPolarHBondContact O-CB 3.27Å; E328-S330 PolarHBondContact O-N 3.31Å; E328-S330 PolarHBondContact O-OG 3.43Å
329	P	48.9	Very low	55.4	Low	100 Å²	100	55.3 Å²	55.3	65%	0.649	30%	0.299	S	S	*	.	S	Bend	trans	-53.4	98.7	-163.9	24.5	-35.1	0	0	0	110.6
330	S	51.2	Low	56.8	Low	24 Å²	24	51 Å²	51	17%	0.168	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.6	-172.9	37.9	0	0	0	0	105.6	F327 E328 Y343	F327-S330 WeakPolarHBondContact CB-OG 3.47Å; E328-S330 VanDerWaalsContact C-N 3.35Å; E328-S330 WeakPolarHBondContact O-CA 3.48Å; E328-S330 VanDerWaalsContact O-CB 3.24Å; E328-S330 WeakPolarHBondContact O-CB 3.27Å; E328-S330 PolarHBondContact O-N 3.31Å; E328-S330 PolarHBondContact O-OG 3.43Å; S330-Y343 WeakPolarHBondContact CA-O 3.35Å; S330-Y343 WeakPolarHBondContact CB-O 3.28Å
331	S	59.8	Low	58.1	Low	15 Å²	15	49.9 Å²	49.9	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	147.6	172.3	-93.5	0	0	0	0	109.2	Y343 I345 Q576	S331-Y343 VanDerWaalsContact CB-CE2 3.46Å; S331-Y343 WeakPolarHBondContact CB-OH 3.22Å; S331-Y343 PolarHBondContact N-O 2.89Å; S331-Y343 VanDerWaalsContact N-O 3.16Å; S331-Y343 WeakPolarHBondContact O-CD1 3.46Å; S331-Y343 PolarHBondContact O-N 2.88Å; S331-I345 WeakPolarHBondContact OG-CD1 3.34Å; S331-Q576 PolarHBondContact OG-OE1 2.87Å
332	M	71.6	Confident	59.3	Low	32 Å²	32	49.5 Å²	49.5	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136	179	72.9	-178.7	88.8	0	0	111.8	R334 P339 L341 Y342	M332-R334 HydrophobicContact CG-CG 4.33Å; M332-R334 PolarHBondContact SD-NH2 2.87Å; M332-P339 HydrophobicContact SD-CB 3.84Å; M332-L341 CarbonylContact C-O 3.56Å; M332-L341 WeakPolarHBondContact CA-O 3.18Å; M332-L341 WeakPolarHBondContact CB-O 3.42Å; M332-Y342 HydrophobicContact CB-CD1 4.05Å; M332-Y342 HydrophobicContact CB-CE1 4.23Å; M332-Y342 HydrophobicContact CE-CD1 4.47Å; M332-Y342 HydrophobicContact CE-CE1 3.86Å; M332-Y342 HydrophobicContact SD-CE1 3.92Å
333	V	71.9	Confident	60.3	Low	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.2	168.3	-165	0	0	0	0	108.6	M340 L341 Y343 V429 F524 I569 I573	V333-M340 PolarHBondContact O-N 3.11Å; V333-L341 HydrophobicContact CB-CB 4.48Å; V333-L341 HydrophobicContact CG2-CD2 4.32Å; V333-L341 PolarHBondContact N-O 3.15Å; V333-L341 PolarHBondContact O-N 3.47Å; V333-Y343 HydrophobicContact CG2-CE1 4Å; V333-V429 HydrophobicContact CG2-CG1 4.28Å; V333-F524 HydrophobicContact CB-CD1 4.26Å; V333-F524 HydrophobicContact CB-CE1 4.3Å; V333-F524 HydrophobicContact CG1-CD1 4.07Å; V333-F524 HydrophobicContact CG1-CE1 3.64Å; V333-I569 HydrophobicContact CG1-CG2 4.36Å; V333-I573 HydrophobicContact CG2-CD1 4.34Å; V333-I573 HydrophobicContact CG2-CG1 3.51Å
334	R	78.2	Confident	60.9	Low	24 Å²	24	49 Å²	49	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153.5	-179.4	-61.2	178.8	167.2	92.5	-6.2	110.8	M332 L338 P339 P427 T428	M332-R334 HydrophobicContact CG-CG 4.33Å; M332-R334 PolarHBondContact SD-NH2 2.87Å; R334-L338 CarbonylContact C-O 3.57Å; R334-L338 VanDerWaalsContact CA-O 3.24Å; R334-L338 WeakPolarHBondContact CA-O 3.18Å; R334-P339 HydrophobicContact CG-CB 4.47Å; R334-P427 CarbonylContact O-C 3.59Å; R334-P427 WeakPolarHBondContact O-CA 3.25Å; R334-T428 WeakPolarHBondContact CA-O 3.44Å; R334-T428 HydrophobicContact CB-CG2 4.02Å; R334-T428 PolarHBondContact N-O 3.02Å; R334-T428 PolarHBondContact O-N 3.48Å
335	I	78.6	Confident	61.4	Low	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112	158.2	-70.2	175.1	0	0	0	107.1	S337 L338 M340 R424 F425 L517 L520 F524	I335-S337 PolarHBondContact O-N 3.06Å; I335-S337 VanDerWaalsContact O-N 3.12Å; I335-L338 PolarHBondContact N-O 2.84Å; I335-L338 PolarHBondContact O-N 3.03Å; I335-M340 HydrophobicContact CB-CG 3.94Å; I335-M340 HydrophobicContact CD1-CG 3.6Å; I335-M340 HydrophobicContact CD1-SD 3.82Å; I335-M340 HydrophobicContact CG1-CG 3.58Å; I335-M340 HydrophobicContact CG1-SD 4.38Å; I335-R424 WeakPolarHBondContact CG2-O 3.29Å; I335-F425 VanDerWaalsContact CG2-CA 3.48Å; I335-L517 HydrophobicContact CB-CD2 4.03Å; I335-L517 HydrophobicContact CD1-CD2 4.26Å; I335-L517 HydrophobicContact CG2-CD2 3.36Å; I335-L520 HydrophobicContact CD1-CB 3.84Å; I335-L520 HydrophobicContact CD1-CD1 4Å; I335-F524 HydrophobicContact CD1-CD2 3.96Å; I335-F524 HydrophobicContact CD1-CE1 4.19Å; I335-F524 HydrophobicContact CD1-CE2 3.24Å; I335-F524 HydrophobicContact CD1-CZ 3.4Å; I335-F524 VanDerWaalsContact CD1-CZ 3.4Å; I335-F524 HydrophobicContact CG1-CE1 3.71Å; I335-F524 HydrophobicContact CG1-CE2 3.62Å; I335-F524 HydrophobicContact CG1-CZ 3.14Å
336	G	74	Confident	61.4	Low	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-113.6	-169.1	0	0	0	0	0	110.9	K423 V426	G336-K423 WeakPolarHBondContact CA-O 3.42Å; G336-V426 PolarHBondContact N-O 3.45Å
337	S	67.3	Low	61.5	Low	51 Å²	51	45 Å²	45	36%	0.357	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-3.9	176.1	54	0	0	0	0	114	I335	I335-S337 PolarHBondContact O-N 3.06Å; I335-S337 VanDerWaalsContact O-N 3.12Å
338	L	65.6	Low	61.4	Low	32 Å²	32	43 Å²	43	17%	0.168	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.4	-173.3	-169.8	66.9	0	0	0	110.1	P320 R334 I335 M340 V368 L517	P320-L338 HydrophobicContact CG-CD1 4.45Å; R334-L338 CarbonylContact C-O 3.57Å; R334-L338 VanDerWaalsContact CA-O 3.24Å; R334-L338 WeakPolarHBondContact CA-O 3.18Å; I335-L338 PolarHBondContact N-O 2.84Å; I335-L338 PolarHBondContact O-N 3.03Å; L338-M340 HydrophobicContact CB-CE 3.88Å; L338-M340 HydrophobicContact CD2-CE 3.17Å; L338-M340 HydrophobicContact CG-CE 3.31Å; L338-M340 PolarHBondContact O-N 3.03Å; L338-V368 HydrophobicContact CD1-CG2 4.39Å; L338-L517 HydrophobicContact CD2-CB 4.2Å; L338-L517 HydrophobicContact CD2-CD1 3.76Å; L338-L517 HydrophobicContact CD2-CG 4.47Å
339	P	69.1	Low	61	Low	26 Å²	26	40.8 Å²	40.8	17%	0.169	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.3	173	26.5	-32.4	0	0	0	110.4	T324 M332 R334 Y342	T324-P339 HydrophobicContact CG2-CG 4.42Å; M332-P339 HydrophobicContact SD-CB 3.84Å; R334-P339 HydrophobicContact CG-CB 4.47Å; P339-Y342 HydrophobicContact CB-CE1 4.47Å; P339-Y342 HydrophobicContact CB-CE2 3.88Å; P339-Y342 VanDerWaalsContact CB-OH 3.32Å; P339-Y342 WeakPolarHBondContact CB-OH 3.23Å; P339-Y342 HydrophobicContact CG-CE2 4.31Å; P339-Y342 WeakPolarHBondContact CG-OH 3.38Å
340	M	72.7	Confident	60.3	Low	32 Å²	32	42.8 Å²	42.8	16%	0.158	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-35.1	-179.7	-70.9	-68.1	102.9	0	0	112.5	V333 I335 L338 A521 F524	V333-M340 PolarHBondContact O-N 3.11Å; I335-M340 HydrophobicContact CB-CG 3.94Å; I335-M340 HydrophobicContact CD1-CG 3.6Å; I335-M340 HydrophobicContact CD1-SD 3.82Å; I335-M340 HydrophobicContact CG1-CG 3.58Å; I335-M340 HydrophobicContact CG1-SD 4.38Å; L338-M340 HydrophobicContact CB-CE 3.88Å; L338-M340 HydrophobicContact CD2-CE 3.17Å; L338-M340 HydrophobicContact CG-CE 3.31Å; L338-M340 PolarHBondContact O-N 3.03Å; M340-A521 HydrophobicContact SD-CB 4Å; M340-F524 HydrophobicContact CB-CB 4.12Å; M340-F524 HydrophobicContact CB-CD1 3.52Å; M340-F524 HydrophobicContact CB-CE1 4.11Å; M340-F524 HydrophobicContact CB-CG 3.82Å; M340-F524 HydrophobicContact CG-CD1 4.01Å; M340-F524 HydrophobicContact CG-CE1 4.18Å; M340-F524 HydrophobicContact CG-CG 4.22Å
341	L	70.8	Confident	59.5	Low	16 Å²	16	45 Å²	45	8%	0.084	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	128.7	-174.1	-179.6	77.8	0	0	0	109	M332 V333 Y343 Y528 I573	M332-L341 CarbonylContact C-O 3.56Å; M332-L341 WeakPolarHBondContact CA-O 3.18Å; M332-L341 WeakPolarHBondContact CB-O 3.42Å; V333-L341 HydrophobicContact CB-CB 4.48Å; V333-L341 HydrophobicContact CG2-CD2 4.32Å; V333-L341 PolarHBondContact N-O 3.15Å; V333-L341 PolarHBondContact O-N 3.47Å; L341-Y343 HydrophobicContact CD2-CD1 4.01Å; L341-Y343 HydrophobicContact CD2-CE1 4.48Å; L341-Y343 HydrophobicContact CG-CD1 4.27Å; L341-Y528 HydrophobicContact CD1-CG 4.21Å; L341-Y528 HydrophobicContact CD2-CD2 4.1Å; L341-Y528 HydrophobicContact CD2-CG 4.23Å; L341-I573 HydrophobicContact CD2-CD1 3.46Å; L341-I573 VanDerWaalsContact CD2-CD1 3.46Å; L341-I573 HydrophobicContact CD2-CG1 4.14Å
342	Y	70.9	Confident	58	Low	44 Å²	44	55.6 Å²	55.6	17%	0.173	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.6	167.8	-64.8	-95	0	0	0	108.4	L323 T324 F327 M332 P339	L323-Y342 HydrophobicContact CB-CD2 4.5Å; L323-Y342 HydrophobicContact CB-CE2 3.8Å; L323-Y342 HydrophobicContact CD1-CE2 4.13Å; T324-Y342 HydrophobicContact CG2-CE1 4.41Å; T324-Y342 WeakPolarHBondContact CG2-OH 3.4Å; F327-Y342 AromaticContact CD2-CD1 3.78Å; F327-Y342 HydrophobicContact CD2-CD1 3.78Å; F327-Y342 HydrophobicContact CD2-CD2 4.35Å; F327-Y342 HydrophobicContact CD2-CE1 4.2Å; F327-Y342 AromaticContact CD2-CG 3.86Å; F327-Y342 HydrophobicContact CD2-CG 3.86Å; F327-Y342 HydrophobicContact CE2-CD1 4.42Å; F327-Y342 HydrophobicContact CE2-CD2 4.21Å; F327-Y342 HydrophobicContact CE2-CG 4.05Å; F327-Y342 HydrophobicContact CG-CD1 4.49Å; M332-Y342 HydrophobicContact CB-CD1 4.05Å; M332-Y342 HydrophobicContact CB-CE1 4.23Å; M332-Y342 HydrophobicContact CE-CD1 4.47Å; M332-Y342 HydrophobicContact CE-CE1 3.86Å; M332-Y342 HydrophobicContact SD-CE1 3.92Å; P339-Y342 HydrophobicContact CB-CE1 4.47Å; P339-Y342 HydrophobicContact CB-CE2 3.88Å; P339-Y342 VanDerWaalsContact CB-OH 3.32Å; P339-Y342 WeakPolarHBondContact CB-OH 3.23Å; P339-Y342 HydrophobicContact CG-CE2 4.31Å; P339-Y342 WeakPolarHBondContact CG-OH 3.38Å
343	Y	63.5	Low	56.2	Low	2 Å²	2	62.4 Å²	62.4	1%	0.008	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143.7	175.5	58.6	-81.5	0	0	0	111.6	S330 S331 V333 L341 Y528 I573 Q576	S330-Y343 WeakPolarHBondContact CA-O 3.35Å; S330-Y343 WeakPolarHBondContact CB-O 3.28Å; S331-Y343 VanDerWaalsContact CB-CE2 3.46Å; S331-Y343 WeakPolarHBondContact CB-OH 3.22Å; S331-Y343 PolarHBondContact N-O 2.89Å; S331-Y343 VanDerWaalsContact N-O 3.16Å; S331-Y343 WeakPolarHBondContact O-CD1 3.46Å; S331-Y343 PolarHBondContact O-N 2.88Å; V333-Y343 HydrophobicContact CG2-CE1 4Å; L341-Y343 HydrophobicContact CD2-CD1 4.01Å; L341-Y343 HydrophobicContact CD2-CE1 4.48Å; L341-Y343 HydrophobicContact CG-CD1 4.27Å; Y343-Y528 HydrophobicContact CG-CD2 4.44Å; Y343-Y528 HydrophobicContact CG-CE2 4.23Å; Y343-I573 HydrophobicContact CD2-CG2 4.42Å; Y343-I573 HydrophobicContact CE1-CG1 4.29Å; Y343-I573 HydrophobicContact CE1-CG2 4.18Å; Y343-I573 HydrophobicContact CE2-CG2 3.88Å; Y343-I573 PolarHBondContact OH-O 2.82Å; Y343-Q576 PolarHBondContact OH-OE1 3.42Å
344	P	55.6	Low	54.2	Low	100 Å²	100	66.7 Å²	66.7	65%	0.649	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.1	178.1	28.6	-32.3	0	0	0	110.3
345	I	55.9	Low	51.6	Low	54 Å²	54	72.7 Å²	72.7	28%	0.277	45%	0.446	S	S	.	.			trans	-91.8	121.7	165.2	-57.9	167.9	0	0	0	107.1	S331 G347	S331-I345 WeakPolarHBondContact OG-CD1 3.34Å; I345-G347 PolarHBondContact O-N 2.88Å
346	G	42.7	Very low	49.2	Very low	78 Å²	78	78.6 Å²	78.6	80%	0.804	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	105.8	171.8	0	0	0	0	0	109.8
347	G	42.4	Very low	46.9	Very low	41 Å²	41	82.6 Å²	82.6	42%	0.423	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	153.4	-20.2	176.1	0	0	0	0	0	116.6	I345 T349	I345-G347 PolarHBondContact O-N 2.88Å; G347-T349 PolarHBondContact O-N 2.79Å
348	A	38.1	Very low	44.9	Very low	61 Å²	61	84.8 Å²	84.8	50%	0.504	53%	0.528	S	S	.	.			trans	-78.8	56.2	-172.8	0	0	0	0	0	114.5
349	T	32.9	Very low	43.2	Very low	124 Å²	124	88.2 Å²	88.2	76%	0.761	55%	0.55	S	S	*	*			trans	-82.5	119.6	145.7	48.1	0	0	0	0	107	G347	G347-T349 PolarHBondContact O-N 2.79Å
350	V	32.6	Very low	41.3	Very low	142 Å²	142	92.9 Å²	92.9	86%	0.861	58%	0.578	S	S	*	*	S	Bend	trans	101.4	117.2	176.2	-170.9	0	0	0	0	113.4
351	G	35.2	Very low	39	Very low	69 Å²	69	97.8 Å²	97.8	71%	0.711	61%	0.605	S	S	*	*			trans	-73	147.6	-167.2	0	0	0	0	0	115
352	R	29.2	Very low	36.9	Very low	239 Å²	239	98.3 Å²	98.3	90%	0.902	61%	0.614	S	S	*	*			trans	178.7	92.1	131.8	-98.8	-179.7	-170.8	-135.2	3	108.5
353	L	33	Very low	35	Very low	174 Å²	174	99.9 Å²	99.9	91%	0.911	63%	0.632	S	S	*	*	S	Bend	trans	169.5	119.7	161.3	-96	140	0	0	0	106.8
354	A	29	Very low	33.8	Very low	90 Å²	90	102.9 Å²	102.9	74%	0.744	65%	0.648	S	S	*	*			cis	-130.1	140.2	-8.7	0	0	0	0	0	106.9
355	E	23.9	Very low	33	Very low	150 Å²	150	99 Å²	99	70%	0.701	62%	0.623	S	S	*	*			trans	-61.3	136.6	172	-69.3	-157	167.7	0	0	110.2	S357	E355-S357 WeakPolarHBondContact CB-OG 3.07Å; E355-S357 PolarHBondContact O-N 3.13Å; E355-S357 PolarHBondContact OE2-OG 3.01Å
356	P	29.6	Very low	32	Very low	125 Å²	125	99.8 Å²	99.8	81%	0.812	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	19.7	173.3	31.4	-34.2	0	0	0	112.8
357	S	24.9	Very low	31.8	Very low	85 Å²	85	97.2 Å²	97.2	59%	0.594	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	3.3	-171	57.1	0	0	0	0	114.4	E355	E355-S357 WeakPolarHBondContact CB-OG 3.07Å; E355-S357 PolarHBondContact O-N 3.13Å; E355-S357 PolarHBondContact OE2-OG 3.01Å
358	S	26	Very low	31.6	Very low	96 Å²	96	96.6 Å²	96.6	67%	0.671	58%	0.584	S	S	*	*			trans	-141.1	19.8	179.7	70.2	0	0	0	0	117.1	V360	S358-V360 PolarHBondContact O-N 2.83Å
359	T	29.7	Very low	31.6	Very low	104 Å²	104	98.7 Å²	98.7	64%	0.638	58%	0.58	S	S	*	*			trans	-77.8	59	171.3	58.6	0	0	0	0	112.2	N361	T359-N361 VanDerWaalsContact C-N 3.33Å; T359-N361 PolarHBondContact O-N 3.07Å
360	V	28	Very low	31.9	Very low	125 Å²	125	99.2 Å²	99.2	76%	0.758	57%	0.568	S	S	*	*	S	Bend	trans	-75	96.5	147.8	-179.1	0	0	0	0	104.8	S358	S358-V360 PolarHBondContact O-N 2.83Å
361	N	25.8	Very low	32.2	Very low	134 Å²	134	93.9 Å²	93.9	72%	0.717	53%	0.534	S	S	*	.	S	Bend	trans	71	79.1	178.7	-53	-44.7	0	0	0	116.7	T359	T359-N361 VanDerWaalsContact C-N 3.33Å; T359-N361 PolarHBondContact O-N 3.07Å
362	G	26.6	Very low	32.2	Very low	27 Å²	27	96.1 Å²	96.1	28%	0.278	53%	0.526	S	S	.	.	S	Bend	trans	-178.7	113	165.9	0	0	0	0	0	114.3
363	S	30.8	Very low	32.6	Very low	77 Å²	77	89.6 Å²	89.6	54%	0.538	51%	0.506	S	S	.	.	S	Bend	trans	60.7	65.3	174.9	44.8	0	0	0	0	116.7
364	N	37.4	Very low	32.6	Very low	65 Å²	65	82.6 Å²	82.6	35%	0.348	48%	0.476	S	S	.	.	S	Bend	trans	-120.7	165.7	170.5	-149.7	17.8	0	0	0	108.4	E366 A367	N364-E366 HydrophobicContact CB-CB 4.13Å; N364-E366 CarbonylContact O-C 3.56Å; N364-E366 PolarHBondContact O-N 2.63Å; N364-A367 PolarHBondContact O-N 3.34Å
365	P	39.2	Very low	33	Very low	19 Å²	19	82.9 Å²	82.9	12%	0.123	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-18.2	169.6	-34.5	43.5	0	0	0	114.6	H314 Y321 A367 V368 Y369	H314-P365 WeakPolarHBondContact O-CG 3.44Å; Y321-P365 HydrophobicContact CD2-CG 3.23Å; Y321-P365 HydrophobicContact CE2-CG 3.75Å; Y321-P365 HydrophobicContact CG-CG 3.92Å; P365-A367 PolarHBondContact O-N 3.41Å; P365-V368 CarbonylContact O-C 3.58Å; P365-V368 PolarHBondContact O-N 3.48Å; P365-Y369 VanDerWaalsContact O-CB 3.28Å; P365-Y369 WeakPolarHBondContact O-CB 3.35Å; P365-Y369 PolarHBondContact O-N 2.98Å
366	E	35.2	Very low	33.5	Very low	71 Å²	71	83.8 Å²	83.8	33%	0.332	48%	0.482	S	S	.	.	H	α-helix	trans	-44.2	-33.9	160.7	-161.6	58.2	-156.5	0	0	115	N364 R370	N364-E366 HydrophobicContact CB-CB 4.13Å; N364-E366 CarbonylContact O-C 3.56Å; N364-E366 PolarHBondContact O-N 2.63Å; E366-R370 HydrophobicContact CG-CG 4.37Å; E366-R370 WeakPolarHBondContact O-CA 3.22Å; E366-R370 WeakPolarHBondContact O-CB 3.17Å; E366-R370 WeakPolarHBondContact O-CG 3.5Å; E366-R370 PolarHBondContact O-N 2.82Å; E366-R370 IonicContact OE1-NE 3.2Å; E366-R370 PolarHBondContact OE1-NE 2.74Å
367	A	38.2	Very low	34	Very low	24 Å²	24	80 Å²	80	20%	0.198	47%	0.465	C	S	.	.	H	α-helix	trans	-71.2	-37.2	176.1	0	0	0	0	0	112.5	N364 P365 L371	N364-A367 PolarHBondContact O-N 3.34Å; P365-A367 PolarHBondContact O-N 3.41Å; A367-L371 WeakPolarHBondContact O-CD1 3.37Å; A367-L371 WeakPolarHBondContact O-CG 3.38Å; A367-L371 PolarHBondContact O-N 3.46Å; A367-L371 VanDerWaalsContact O-N 3.14Å
368	V	39.2	Very low	34.8	Very low	27 Å²	27	80.7 Å²	80.7	16%	0.164	46%	0.462	C	S	.	.	H	α-helix	trans	-80.1	-36.3	176	-176.8	0	0	0	0	110.4	L318 P320 L338 P365 L371 Q372	L318-V368 HydrophobicContact CD1-CB 4.39Å; L318-V368 HydrophobicContact CD1-CG1 3.46Å; L318-V368 VanDerWaalsContact CD1-CG1 3.46Å; P320-V368 HydrophobicContact CG-CG2 4.44Å; L338-V368 HydrophobicContact CD1-CG2 4.39Å; P365-V368 CarbonylContact O-C 3.58Å; P365-V368 PolarHBondContact O-N 3.48Å; V368-L371 WeakPolarHBondContact O-CB 3.48Å; V368-L371 PolarHBondContact O-N 2.86Å; V368-Q372 WeakPolarHBondContact O-CG 3.32Å; V368-Q372 PolarHBondContact O-N 3.34Å
369	Y	38.3	Very low	35.7	Very low	106 Å²	106	83.7 Å²	83.7	42%	0.416	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-38.2	171.5	-175.5	-97.8	0	0	0	111.4	P365 L371 Q372 Q373	P365-Y369 VanDerWaalsContact O-CB 3.28Å; P365-Y369 WeakPolarHBondContact O-CB 3.35Å; P365-Y369 PolarHBondContact O-N 2.98Å; Y369-L371 VanDerWaalsContact C-N 3.31Å; Y369-L371 PolarHBondContact O-N 3.42Å; Y369-Q372 CarbonylContact O-C 3.51Å; Y369-Q372 PolarHBondContact O-N 3.28Å; Y369-Q372 VanDerWaalsContact O-N 3.13Å; Y369-Q373 HydrophobicContact CD1-CB 4.24Å; Y369-Q373 HydrophobicContact CD1-CG 4.1Å; Y369-Q373 HydrophobicContact CD2-CG 4.05Å; Y369-Q373 HydrophobicContact CE1-CB 4.03Å; Y369-Q373 HydrophobicContact CE1-CG 3.72Å; Y369-Q373 HydrophobicContact CE2-CG 3.7Å; Y369-Q373 VanDerWaalsContact CE2-NE2 3.35Å; Y369-Q373 HydrophobicContact CG-CG 4.26Å; Y369-Q373 WeakPolarHBondContact O-CA 3.17Å; Y369-Q373 VanDerWaalsContact O-CB 3.27Å; Y369-Q373 WeakPolarHBondContact O-CB 3.45Å; Y369-Q373 PolarHBondContact O-N 3.26Å; Y369-Q373 PolarHBondContact OH-NE2 3.03Å; Y369-Q373 PolarHBondContact OH-OE1 2.67Å
370	R	38.1	Very low	36.6	Very low	135 Å²	135	82.3 Å²	82.3	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-73.6	-19.8	171	-74.8	-177.2	-159.5	177.1	9.7	113.8	E366 Q373	E366-R370 HydrophobicContact CG-CG 4.37Å; E366-R370 WeakPolarHBondContact O-CA 3.22Å; E366-R370 WeakPolarHBondContact O-CB 3.17Å; E366-R370 WeakPolarHBondContact O-CG 3.5Å; E366-R370 PolarHBondContact O-N 2.82Å; E366-R370 IonicContact OE1-NE 3.2Å; E366-R370 PolarHBondContact OE1-NE 2.74Å; R370-Q373 CarbonylContact C-O 3.59Å; R370-Q373 WeakPolarHBondContact CA-O 3.39Å
371	L	38	Very low	37.6	Very low	30 Å²	30	77.3 Å²	77.3	16%	0.157	43%	0.432	C	S	.	.	H	α-helix	trans	-72.7	-33.2	166.5	-83.9	160.4	0	0	0	110.8	A367 V368 Y369 V513	A367-L371 WeakPolarHBondContact O-CD1 3.37Å; A367-L371 WeakPolarHBondContact O-CG 3.38Å; A367-L371 PolarHBondContact O-N 3.46Å; A367-L371 VanDerWaalsContact O-N 3.14Å; V368-L371 WeakPolarHBondContact O-CB 3.48Å; V368-L371 PolarHBondContact O-N 2.86Å; Y369-L371 VanDerWaalsContact C-N 3.31Å; Y369-L371 PolarHBondContact O-N 3.42Å; L371-V513 HydrophobicContact CD2-CG1 4.25Å
372	Q	37.1	Very low	39	Very low	116 Å²	116	76.8 Å²	76.8	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-88.8	-40.6	-178.9	-72.9	176.9	-15.4	0	0	113.7	V368 Y369	V368-Q372 WeakPolarHBondContact O-CG 3.32Å; V368-Q372 PolarHBondContact O-N 3.34Å; Y369-Q372 CarbonylContact O-C 3.51Å; Y369-Q372 PolarHBondContact O-N 3.28Å; Y369-Q372 VanDerWaalsContact O-N 3.13Å
373	Q	35.9	Very low	40.9	Very low	102 Å²	102	76.9 Å²	76.9	48%	0.477	42%	0.418	S	S	.	.	S	Bend	trans	-99	101	173.7	-60.5	-134.8	-6.3	0	0	106.4	Y369 R370 S375	Y369-Q373 HydrophobicContact CD1-CB 4.24Å; Y369-Q373 HydrophobicContact CD1-CG 4.1Å; Y369-Q373 HydrophobicContact CD2-CG 4.05Å; Y369-Q373 HydrophobicContact CE1-CB 4.03Å; Y369-Q373 HydrophobicContact CE1-CG 3.72Å; Y369-Q373 HydrophobicContact CE2-CG 3.7Å; Y369-Q373 VanDerWaalsContact CE2-NE2 3.35Å; Y369-Q373 HydrophobicContact CG-CG 4.26Å; Y369-Q373 WeakPolarHBondContact O-CA 3.17Å; Y369-Q373 VanDerWaalsContact O-CB 3.27Å; Y369-Q373 WeakPolarHBondContact O-CB 3.45Å; Y369-Q373 PolarHBondContact O-N 3.26Å; Y369-Q373 PolarHBondContact OH-NE2 3.03Å; Y369-Q373 PolarHBondContact OH-OE1 2.67Å; R370-Q373 CarbonylContact C-O 3.59Å; R370-Q373 WeakPolarHBondContact CA-O 3.39Å; Q373-S375 PolarHBondContact O-N 2.81Å; Q373-S375 VanDerWaalsContact O-N 3.13Å
374	G	34.6	Very low	42.9	Very low	27 Å²	27	73.2 Å²	73.2	28%	0.278	39%	0.393	S	S	.	.			trans	-49.1	125	167.5	0	0	0	0	0	107.9	D376	G374-D376 PolarHBondContact O-N 3.25Å; G374-D376 VanDerWaalsContact O-N 3.08Å
375	S	37.1	Very low	44.5	Very low	95 Å²	95	70.8 Å²	70.8	66%	0.664	38%	0.381	S	S	*	.			trans	-43.2	121.6	164.8	179.4	0	0	0	0	107.6	Q373 G377	Q373-S375 PolarHBondContact O-N 2.81Å; Q373-S375 VanDerWaalsContact O-N 3.13Å; S375-G377 WeakPolarHBondContact O-CA 3.41Å; S375-G377 PolarHBondContact O-N 2.89Å
376	D	34	Very low	46.1	Very low	170 Å²	170	76 Å²	76	91%	0.909	41%	0.407	S	S	*	.	S	Bend	trans	-42.2	105.2	174	-80	-41	0	0	0	109.5	G374	G374-D376 PolarHBondContact O-N 3.25Å; G374-D376 VanDerWaalsContact O-N 3.08Å
377	G	40.2	Very low	48.2	Very low	44 Å²	44	73.3 Å²	73.3	45%	0.454	40%	0.396	S	S	.	.			trans	149.9	52.2	-161.8	0	0	0	0	0	110.8	S375 D379 D380	S375-G377 WeakPolarHBondContact O-CA 3.41Å; S375-G377 PolarHBondContact O-N 2.89Å; G377-D379 PolarHBondContact O-N 3.29Å; G377-D380 PolarHBondContact O-N 3.3Å
378	D	40.6	Very low	49.9	Very low	101 Å²	101	75.2 Å²	75.2	54%	0.54	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	12.2	-167.1	-128.9	8.2	0	0	0	115.6	R510	D378-R510 IonicContact OD1-NH2 2.86Å; D378-R510 PolarHBondContact OD1-NH2 3.03Å
379	D	44.8	Very low	52.2	Low	158 Å²	158	80.3 Å²	80.3	85%	0.845	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-11.9	174.5	-72.8	-24	0	0	0	113	G377 A381	G377-D379 PolarHBondContact O-N 3.29Å; D379-A381 PolarHBondContact O-N 3.46Å
380	D	48.7	Very low	54.5	Low	75 Å²	75	75.6 Å²	75.6	40%	0.401	41%	0.405	S	S	.	.			trans	-87.9	1.7	-171.8	-73.5	-11.2	0	0	0	114.4	G377 Y382 A417	G377-D380 PolarHBondContact O-N 3.3Å; D380-Y382 PolarHBondContact O-N 2.89Å; D380-A417 HydrophobicContact CB-CB 4.29Å; D380-A417 WeakPolarHBondContact OD1-CB 3.29Å
381	A	50.2	Low	57.1	Low	21 Å²	21	70 Å²	70	17%	0.174	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.8	-159.9	0	0	0	0	0	117.3	D379 D509	D379-A381 PolarHBondContact O-N 3.46Å; A381-D509 VanDerWaalsContact O-CB 3.27Å; A381-D509 WeakPolarHBondContact O-CB 3.38Å; A381-D509 VanDerWaalsContact O-CG 3.3Å; A381-D509 PolarHBondContact O-N 3.39Å
382	Y	54.1	Low	59.6	Low	123 Å²	123	69.1 Å²	69.1	48%	0.482	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	4.8	-169.7	-57.1	-88.1	0	0	0	115.5	D380 M384 L386 D507	D380-Y382 PolarHBondContact O-N 2.89Å; Y382-M384 PolarHBondContact O-N 3.41Å; Y382-L386 HydrophobicContact CD1-CD1 4.5Å; Y382-L386 HydrophobicContact CG-CD1 4.35Å; Y382-L386 WeakPolarHBondContact O-CB 3.33Å; Y382-L386 PolarHBondContact O-N 3.47Å; Y382-D507 WeakPolarHBondContact CE1-O 3.29Å
383	A	66.7	Low	62.2	Low	28 Å²	28	63.6 Å²	63.6	23%	0.231	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.8	-171.5	0	0	0	0	0	112.3	C387 F418 D509	A383-C387 WeakPolarHBondContact O-CB 3.41Å; A383-F418 HydrophobicContact CB-CD1 4.4Å; A383-D509 PolarHBondContact N-OD2 2.83Å
384	M	72.6	Confident	64.9	Low	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-51.8	-176.6	-63.2	-65.6	-74.9	0	0	112.5	Y382 L386 C387 L390 L394 F418 L422 F425 D509 F512	Y382-M384 PolarHBondContact O-N 3.41Å; M384-L386 PolarHBondContact O-N 2.87Å; M384-L386 VanDerWaalsContact O-N 3.11Å; M384-C387 VanDerWaalsContact O-CB 3.32Å; M384-C387 WeakPolarHBondContact O-CB 3.36Å; M384-C387 PolarHBondContact O-N 3.45Å; M384-L390 HydrophobicContact CE-CD1 3.27Å; M384-L390 HydrophobicContact CE-CG 4.45Å; M384-L390 WeakPolarHBondContact O-CD2 3.25Å; M384-L390 HydrophobicContact SD-CD1 3.86Å; M384-L394 HydrophobicContact CE-CD1 4.46Å; M384-L394 HydrophobicContact CE-CD2 3.79Å; M384-L394 HydrophobicContact CE-CG 4.22Å; M384-F418 HydrophobicContact SD-CD1 4.33Å; M384-F418 HydrophobicContact SD-CE1 3.92Å; M384-L422 HydrophobicContact CE-CD2 3.55Å; M384-L422 HydrophobicContact CE-CG 4.35Å; M384-L422 HydrophobicContact SD-CD2 3.64Å; M384-L422 HydrophobicContact SD-CG 3.86Å; M384-F425 HydrophobicContact CE-CD2 3.72Å; M384-F425 HydrophobicContact CE-CE2 3.56Å; M384-D509 WeakPolarHBondContact CB-OD1 3.39Å; M384-D509 PolarHBondContact N-OD1 2.84Å; M384-D509 PolarHBondContact N-OD2 3.29Å; M384-F512 HydrophobicContact CB-CD1 4.28Å; M384-F512 HydrophobicContact CB-CE1 4.17Å
385	C	71	Confident	67.8	Low	15 Å²	15	57.5 Å²	57.5	10%	0.101	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.2	-176.7	-64.9	0	0	0	0	113.3	D509 F512	C385-D509 PolarHBondContact N-OD1 3.45Å; C385-D509 PolarHBondContact SG-OD1 3.29Å; C385-F512 WeakPolarHBondContact SG-CB 3.42Å; C385-F512 WeakPolarHBondContact SG-CG 3.39Å
386	L	73.9	Confident	70.4	Confident	127 Å²	127	53 Å²	53	67%	0.665	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.1	179.8	-61.3	178.2	0	0	0	113.8	Y382 M384 P388	Y382-L386 HydrophobicContact CD1-CD1 4.5Å; Y382-L386 HydrophobicContact CG-CD1 4.35Å; Y382-L386 WeakPolarHBondContact O-CB 3.33Å; Y382-L386 PolarHBondContact O-N 3.47Å; M384-L386 PolarHBondContact O-N 2.87Å; M384-L386 VanDerWaalsContact O-N 3.11Å; L386-P388 WeakPolarHBondContact O-CD 3.22Å
387	C	78.4	Confident	73.2	Confident	15 Å²	15	45.2 Å²	45.2	10%	0.101	25%	0.247	C	C	.	.			trans	-64.3	116	-175.9	175.6	0	0	0	0	111.3	A383 M384 L390 F418	A383-C387 WeakPolarHBondContact O-CB 3.41Å; M384-C387 VanDerWaalsContact O-CB 3.32Å; M384-C387 WeakPolarHBondContact O-CB 3.36Å; M384-C387 PolarHBondContact O-N 3.45Å; C387-L390 HydrophobicContact CB-CB 4.06Å; C387-L390 HydrophobicContact CB-CD1 3.9Å; C387-L390 HydrophobicContact CB-CG 4.46Å; C387-L390 WeakPolarHBondContact O-CB 3.31Å; C387-L390 PolarHBondContact O-N 3.38Å; C387-F418 HydrophobicContact CB-CZ 4.16Å
388	P	75.1	Confident	75.7	Confident	64 Å²	64	43.1 Å²	43.1	42%	0.416	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	139	169.3	-16.9	33.6	0	0	0	108.8	L386 L390 L607	L386-P388 WeakPolarHBondContact O-CD 3.22Å; P388-L390 PolarHBondContact O-N 2.91Å; P388-L607 WeakPolarHBondContact CB-OXT 3.39Å; P388-L607 WeakPolarHBondContact CG-OXT 3.42Å; P388-L607 WeakPolarHBondContact O-CD2 3.39Å
389	R	87	Confident	78.2	Confident	134 Å²	134	38.8 Å²	38.8	51%	0.506	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	24.5	-178.4	-51.2	-64.4	-176	163.9	-1.1	114.9	T391 T392 L393 L486	R389-T391 PolarHBondContact O-N 2.95Å; R389-T391 VanDerWaalsContact O-N 3.07Å; R389-T392 WeakPolarHBondContact O-CB 3.2Å; R389-T392 PolarHBondContact O-N 2.81Å; R389-L393 PolarHBondContact O-N 2.87Å; R389-L486 HydrophobicContact CB-CD2 3.98Å
390	L	87.2	Confident	80.3	Confident	8 Å²	8	31.4 Å²	31.4	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-48.6	-39.6	177.6	-176.3	63.8	0	0	0	113.9	M384 C387 P388 T392 L393 L394 L499 F512	M384-L390 HydrophobicContact CE-CD1 3.27Å; M384-L390 HydrophobicContact CE-CG 4.45Å; M384-L390 WeakPolarHBondContact O-CD2 3.25Å; M384-L390 HydrophobicContact SD-CD1 3.86Å; C387-L390 HydrophobicContact CB-CB 4.06Å; C387-L390 HydrophobicContact CB-CD1 3.9Å; C387-L390 HydrophobicContact CB-CG 4.46Å; C387-L390 WeakPolarHBondContact O-CB 3.31Å; C387-L390 PolarHBondContact O-N 3.38Å; P388-L390 PolarHBondContact O-N 2.91Å; L390-T392 PolarHBondContact O-N 3.37Å; L390-L393 PolarHBondContact O-N 3.25Å; L390-L394 HydrophobicContact CD1-CD1 4.06Å; L390-L394 HydrophobicContact CD1-CG 4.02Å; L390-L394 HydrophobicContact CD2-CD1 4.3Å; L390-L394 HydrophobicContact CG-CD1 3.84Å; L390-L394 HydrophobicContact CG-CG 4.22Å; L390-L394 WeakPolarHBondContact O-CB 3.34Å; L390-L394 WeakPolarHBondContact O-CG 3.29Å; L390-L394 PolarHBondContact O-N 3Å; L390-L499 HydrophobicContact CB-CD2 4.01Å; L390-L499 HydrophobicContact CD2-CD2 3.33Å; L390-L499 HydrophobicContact CG-CD2 3.54Å; L390-F512 HydrophobicContact CD2-CE1 3.73Å; L390-F512 HydrophobicContact CD2-CZ 3.63Å
391	T	91.5	Very high	82.2	Confident	18 Å²	18	28.2 Å²	28.2	11%	0.11	15%	0.145	C	C	.	.	H	α-helix	trans	-56.1	-45.6	176.3	-61.7	0	0	0	0	113.1	R389 Y395 Y491 L496 P500	R389-T391 PolarHBondContact O-N 2.95Å; R389-T391 VanDerWaalsContact O-N 3.07Å; T391-Y395 WeakPolarHBondContact O-CB 3.28Å; T391-Y395 PolarHBondContact O-N 2.94Å; T391-Y491 HydrophobicContact CG2-CD1 3.27Å; T391-Y491 HydrophobicContact CG2-CE1 3.93Å; T391-Y491 HydrophobicContact CG2-CG 4Å; T391-L496 HydrophobicContact CG2-CB 3.7Å; T391-L496 PolarHBondContact OG1-O 3.29Å; T391-P500 WeakPolarHBondContact OG1-CG 3.09Å
392	T	91.8	Very high	84.2	Confident	10 Å²	10	27.6 Å²	27.6	6%	0.061	14%	0.139	C	C	.	.	H	α-helix	trans	-69.3	-39.6	-179	-50	0	0	0	0	111.3	R389 L390 S396 L486 A488 P489 L605	R389-T392 WeakPolarHBondContact O-CB 3.2Å; R389-T392 PolarHBondContact O-N 2.81Å; L390-T392 PolarHBondContact O-N 3.37Å; T392-S396 PolarHBondContact O-N 3.17Å; T392-S396 PolarHBondContact O-OG 3.24Å; T392-L486 HydrophobicContact CG2-CD2 4.23Å; T392-A488 HydrophobicContact CG2-CB 3.74Å; T392-P489 WeakPolarHBondContact CG2-O 3.41Å; T392-L605 HydrophobicContact CG2-CD1 4.26Å
393	L	91.7	Very high	86	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-68.6	-48.2	178.7	-174.8	58.8	0	0	0	111.4	R389 L390 Y395 S396 V397 V403 F418 L422 T477 V479 L486	R389-L393 PolarHBondContact O-N 2.87Å; L390-L393 PolarHBondContact O-N 3.25Å; L393-Y395 VanDerWaalsContact C-N 3.29Å; L393-Y395 PolarHBondContact O-N 3.36Å; L393-S396 WeakPolarHBondContact O-CB 3.46Å; L393-S396 PolarHBondContact O-N 3.45Å; L393-S396 VanDerWaalsContact O-N 3.14Å; L393-V397 PolarHBondContact O-N 3.24Å; L393-V397 VanDerWaalsContact O-N 3.13Å; L393-V403 HydrophobicContact CD1-CG1 3.81Å; L393-F418 HydrophobicContact CD2-CE1 3.92Å; L393-F418 HydrophobicContact CD2-CZ 3.79Å; L393-L422 HydrophobicContact CD2-CD1 3.86Å; L393-L422 HydrophobicContact CD2-CD2 3.93Å; L393-L422 HydrophobicContact CD2-CG 4.48Å; L393-L422 HydrophobicContact CG-CD1 4.34Å; L393-L422 HydrophobicContact CG-CD2 4.05Å; L393-T477 HydrophobicContact CD1-CG2 4.35Å; L393-V479 HydrophobicContact CD1-CG2 3.78Å; L393-L486 HydrophobicContact CD1-CD1 4.17Å
394	L	92	Very high	87.3	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-37.9	175.9	-78.7	176.6	0	0	0	112	M384 L390 S396 V397 L398 L422 F425 L496 L499	M384-L394 HydrophobicContact CE-CD1 4.46Å; M384-L394 HydrophobicContact CE-CD2 3.79Å; M384-L394 HydrophobicContact CE-CG 4.22Å; L390-L394 HydrophobicContact CD1-CD1 4.06Å; L390-L394 HydrophobicContact CD1-CG 4.02Å; L390-L394 HydrophobicContact CD2-CD1 4.3Å; L390-L394 HydrophobicContact CG-CD1 3.84Å; L390-L394 HydrophobicContact CG-CG 4.22Å; L390-L394 WeakPolarHBondContact O-CB 3.34Å; L390-L394 WeakPolarHBondContact O-CG 3.29Å; L390-L394 PolarHBondContact O-N 3Å; L394-S396 VanDerWaalsContact C-N 3.31Å; L394-S396 PolarHBondContact O-N 2.81Å; L394-V397 PolarHBondContact O-N 3.26Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.48Å; L394-L398 WeakPolarHBondContact O-CG 3.39Å; L394-L398 PolarHBondContact O-N 2.62Å; L394-L422 HydrophobicContact CD2-CD2 4.39Å; L394-F425 HydrophobicContact CD2-CB 3.67Å; L394-F425 HydrophobicContact CD2-CD1 4.05Å; L394-F425 HydrophobicContact CD2-CD2 3.75Å; L394-F425 HydrophobicContact CD2-CE2 4.4Å; L394-F425 HydrophobicContact CD2-CG 3.53Å; L394-L496 HydrophobicContact CB-CD1 4.26Å; L394-L499 HydrophobicContact CD1-CD1 3.71Å; L394-L499 HydrophobicContact CD1-CD2 3.88Å; L394-L499 HydrophobicContact CD1-CG 4.47Å
395	Y	94.2	Very high	88.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.2	-47.1	173.5	170.9	-118.9	0	0	0	111.6	T391 L393 V397 L398 I399 P489 Y491 H561 K564 I565 E600	T391-Y395 WeakPolarHBondContact O-CB 3.28Å; T391-Y395 PolarHBondContact O-N 2.94Å; L393-Y395 VanDerWaalsContact C-N 3.29Å; L393-Y395 PolarHBondContact O-N 3.36Å; Y395-V397 VanDerWaalsContact C-N 3.32Å; Y395-V397 PolarHBondContact O-N 3.21Å; Y395-L398 PolarHBondContact O-N 3.36Å; Y395-I399 HydrophobicContact CD2-CG2 3.78Å; Y395-I399 HydrophobicContact CE1-CD1 4.03Å; Y395-I399 HydrophobicContact CE2-CD1 4.36Å; Y395-I399 HydrophobicContact CE2-CG2 3.39Å; Y395-I399 WeakPolarHBondContact O-CG1 3.37Å; Y395-I399 WeakPolarHBondContact O-CG2 3.47Å; Y395-I399 PolarHBondContact O-N 3.23Å; Y395-I399 VanDerWaalsContact O-N 3.07Å; Y395-P489 HydrophobicContact CD1-CG 4.15Å; Y395-P489 HydrophobicContact CE1-CB 4.07Å; Y395-P489 HydrophobicContact CE1-CG 3.91Å; Y395-Y491 HydrophobicContact CD1-CD2 4.32Å; Y395-Y491 AromaticContact CD2-CD2 3.42Å; Y395-Y491 HydrophobicContact CD2-CD2 3.42Å; Y395-Y491 VanDerWaalsContact CD2-CD2 3.42Å; Y395-Y491 HydrophobicContact CD2-CE2 4.04Å; Y395-Y491 HydrophobicContact CD2-CG 4.38Å; Y395-Y491 AromaticContact CE2-CD2 3.99Å; Y395-Y491 HydrophobicContact CE2-CD2 3.99Å; Y395-Y491 AromaticContact CG-CD2 3.6Å; Y395-Y491 HydrophobicContact CG-CD2 3.6Å; Y395-Y491 HydrophobicContact CG-CG 4.13Å; Y395-H561 HydrophobicContact CE2-CB 3.91Å; Y395-H561 AromaticContact CZ-CD2 3.94Å; Y395-H561 PolarHBondContact OH-CD2 3.08Å; Y395-K564 WeakPolarHBondContact OH-CD 3.47Å; Y395-I565 HydrophobicContact CD2-CD1 4.05Å; Y395-I565 HydrophobicContact CD2-CG1 4.04Å; Y395-I565 HydrophobicContact CE2-CG1 4.25Å; Y395-E600 PolarHBondContact OH-OE1 3.43Å; Y395-E600 PolarHBondContact OH-OE2 2.97Å
396	S	93.2	Very high	89.5	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-42.1	177.5	-61.8	0	0	0	0	112.3	T392 L393 L394 I399 K401 T477	T392-S396 PolarHBondContact O-N 3.17Å; T392-S396 PolarHBondContact O-OG 3.24Å; L393-S396 WeakPolarHBondContact O-CB 3.46Å; L393-S396 PolarHBondContact O-N 3.45Å; L393-S396 VanDerWaalsContact O-N 3.14Å; L394-S396 VanDerWaalsContact C-N 3.31Å; L394-S396 PolarHBondContact O-N 2.81Å; S396-I399 WeakPolarHBondContact O-CG1 3.46Å; S396-K401 WeakPolarHBondContact O-CB 3.27Å; S396-K401 PolarHBondContact O-N 2.82Å; S396-K401 VanDerWaalsContact O-N 3.09Å; S396-T477 WeakPolarHBondContact CB-OG1 3.36Å; S396-T477 PolarHBondContact OG-OG1 2.89Å
397	V	92.9	Very high	90.5	Very high	7 Å²	7	14 Å²	14	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-64.6	-45.4	176.7	175.3	0	0	0	0	111.2	L393 L394 Y395 I399 G400 V403 L422 F425 V426	L393-V397 PolarHBondContact O-N 3.24Å; L393-V397 VanDerWaalsContact O-N 3.13Å; L394-V397 PolarHBondContact O-N 3.26Å; Y395-V397 VanDerWaalsContact C-N 3.32Å; Y395-V397 PolarHBondContact O-N 3.21Å; V397-I399 VanDerWaalsContact C-N 3.32Å; V397-I399 PolarHBondContact O-N 2.75Å; V397-G400 PolarHBondContact O-N 3.27Å; V397-G400 VanDerWaalsContact O-N 3.11Å; V397-V403 HydrophobicContact CG2-CG2 3.84Å; V397-L422 HydrophobicContact CG2-CD2 4.39Å; V397-F425 HydrophobicContact CG1-CB 4.24Å; V397-F425 WeakPolarHBondContact CG1-O 3.3Å; V397-V426 HydrophobicContact CG1-CB 4.42Å; V397-V426 HydrophobicContact CG1-CG2 3.87Å
398	L	92.6	Very high	91.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-73.8	-19.2	-173.7	-71.9	171.5	0	0	0	114.1	L394 Y395 P427 L496 L520 I565 Y568	L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.48Å; L394-L398 WeakPolarHBondContact O-CG 3.39Å; L394-L398 PolarHBondContact O-N 2.62Å; Y395-L398 PolarHBondContact O-N 3.36Å; L398-P427 HydrophobicContact CD2-CG 4.19Å; L398-L496 HydrophobicContact CD1-CD1 4.13Å; L398-L496 HydrophobicContact CD1-CD2 3.91Å; L398-L520 HydrophobicContact CD1-CD1 4.38Å; L398-L520 HydrophobicContact CD1-CD2 3.89Å; L398-L520 HydrophobicContact CD2-CD1 4.05Å; L398-L520 HydrophobicContact CD2-CD2 4.43Å; L398-I565 HydrophobicContact CB-CD1 4.41Å; L398-I565 HydrophobicContact CB-CG1 4.1Å; L398-I565 HydrophobicContact CB-CG2 4.02Å; L398-I565 HydrophobicContact CD1-CD1 4.44Å; L398-Y568 VanDerWaalsContact O-CD1 3.3Å; L398-Y568 WeakPolarHBondContact O-CD1 3.25Å
399	I	92.3	Very high	92	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.051	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.4	171	68.5	178.2	0	0	0	112.9	Y395 S396 V397 K401 K564 I565 Y568	Y395-I399 HydrophobicContact CD2-CG2 3.78Å; Y395-I399 HydrophobicContact CE1-CD1 4.03Å; Y395-I399 HydrophobicContact CE2-CD1 4.36Å; Y395-I399 HydrophobicContact CE2-CG2 3.39Å; Y395-I399 WeakPolarHBondContact O-CG1 3.37Å; Y395-I399 WeakPolarHBondContact O-CG2 3.47Å; Y395-I399 PolarHBondContact O-N 3.23Å; Y395-I399 VanDerWaalsContact O-N 3.07Å; S396-I399 WeakPolarHBondContact O-CG1 3.46Å; V397-I399 VanDerWaalsContact C-N 3.32Å; V397-I399 PolarHBondContact O-N 2.75Å; I399-K401 VanDerWaalsContact C-N 3.31Å; I399-K401 HydrophobicContact CD1-CB 4.2Å; I399-K401 HydrophobicContact CG1-CB 3.98Å; I399-K401 PolarHBondContact O-N 3.48Å; I399-K564 HydrophobicContact CG2-CB 4.09Å; I399-I565 HydrophobicContact CG2-CG1 3.8Å; I399-Y568 VanDerWaalsContact C-CD1 3.5Å; I399-Y568 WeakPolarHBondContact O-CD2 3.18Å
400	G	88.4	Confident	92.2	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.031	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	18.4	179.1	0	0	0	0	0	115.2	V397 Y568	V397-G400 PolarHBondContact O-N 3.27Å; V397-G400 VanDerWaalsContact O-N 3.11Å; G400-Y568 VanDerWaalsContact CA-CE1 3.42Å
401	K	90.1	Very high	92.4	Very high	7 Å²	7	19.7 Å²	19.7	3%	0.03	10%	0.095	C	C	.	.			trans	-71.7	142.3	174.3	-167.4	176.2	177.7	80.5	0	108.9	S396 I399 V403 F475 T477 P489	S396-K401 WeakPolarHBondContact O-CB 3.27Å; S396-K401 PolarHBondContact O-N 2.82Å; S396-K401 VanDerWaalsContact O-N 3.09Å; I399-K401 VanDerWaalsContact C-N 3.31Å; I399-K401 HydrophobicContact CD1-CB 4.2Å; I399-K401 HydrophobicContact CG1-CB 3.98Å; I399-K401 PolarHBondContact O-N 3.48Å; K401-V403 PolarHBondContact O-N 3.15Å; K401-F475 WeakPolarHBondContact CE-O 3.29Å; K401-F475 WeakPolarHBondContact CG-O 3.29Å; K401-F475 PolarHBondContact NZ-O 2.88Å; K401-T477 WeakPolarHBondContact CD-OG1 3.12Å; K401-P489 HydrophobicContact CD-CG 4.23Å
402	F	90.3	Very high	92.4	Very high	9 Å²	9	23.7 Å²	23.7	4%	0.039	11%	0.108	C	C	.	.			trans	-65	120.9	176.4	-175.3	-112	0	0	0	110.2	L404 I448 Y451 K452 F454 I476 T477	F402-L404 HydrophobicContact CD1-CB 4.43Å; F402-L404 HydrophobicContact CE1-CB 3.94Å; F402-L404 HydrophobicContact CE1-CD1 4.26Å; F402-L404 HydrophobicContact CZ-CD1 4.38Å; F402-I448 HydrophobicContact CB-CG2 4.09Å; F402-I448 HydrophobicContact CD1-CG1 4.07Å; F402-I448 HydrophobicContact CE1-CG1 4.23Å; F402-I448 HydrophobicContact CG-CG1 4.38Å; F402-I448 HydrophobicContact CG-CG2 4.33Å; F402-Y451 WeakPolarHBondContact CD2-O 3.36Å; F402-K452 WeakPolarHBondContact CA-O 3.32Å; F402-F454 HydrophobicContact CE1-CB 4.41Å; F402-F454 HydrophobicContact CE2-CB 3.66Å; F402-F454 HydrophobicContact CE2-CD2 4.33Å; F402-F454 HydrophobicContact CE2-CG 4.28Å; F402-F454 HydrophobicContact CZ-CB 3.41Å; F402-F454 VanDerWaalsContact CZ-CB 3.41Å; F402-F454 HydrophobicContact CZ-CD2 4.21Å; F402-F454 AromaticContact CZ-CG 3.87Å; F402-F454 HydrophobicContact CZ-CG 3.87Å; F402-I476 HydrophobicContact CD1-CB 4.25Å; F402-I476 HydrophobicContact CD1-CD1 4.1Å; F402-I476 HydrophobicContact CD1-CG1 3.85Å; F402-I476 HydrophobicContact CD1-CG2 3.59Å; F402-I476 HydrophobicContact CE1-CD1 4.43Å; F402-I476 HydrophobicContact CE1-CG2 4.2Å; F402-T477 PolarHBondContact O-N 2.99Å
403	V	93.2	Very high	92.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.4	178.2	-178.4	0	0	0	0	109.1	L393 V397 K401 L405 K452 L453 F454 T477 V479	L393-V403 HydrophobicContact CD1-CG1 3.81Å; V397-V403 HydrophobicContact CG2-CG2 3.84Å; K401-V403 PolarHBondContact O-N 3.15Å; V403-L405 HydrophobicContact CG1-CD1 3.87Å; V403-K452 PolarHBondContact N-O 3.27Å; V403-L453 HydrophobicContact CB-CD1 3.73Å; V403-L453 HydrophobicContact CG1-CD1 3.79Å; V403-L453 WeakPolarHBondContact O-CA 3.44Å; V403-F454 PolarHBondContact O-N 2.85Å; V403-T477 HydrophobicContact CG1-CG2 4.26Å; V403-T477 HydrophobicContact CG2-CG2 4.34Å; V403-V479 HydrophobicContact CG1-CG2 4.2Å
404	L	94.4	Very high	92	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.6	179.7	-177.4	68.8	0	0	0	110.2	F402 F406 L443 F454 L456 I464 I468 I476 T477 L478 V479	F402-L404 HydrophobicContact CD1-CB 4.43Å; F402-L404 HydrophobicContact CE1-CB 3.94Å; F402-L404 HydrophobicContact CE1-CD1 4.26Å; F402-L404 HydrophobicContact CZ-CD1 4.38Å; L404-F406 HydrophobicContact CD2-CD1 4.5Å; L404-F406 HydrophobicContact CG-CD1 4.41Å; L404-L443 HydrophobicContact CD1-CD1 4.04Å; L404-L443 HydrophobicContact CD2-CD1 3.94Å; L404-F454 WeakPolarHBondContact CA-O 3.34Å; L404-F454 HydrophobicContact CD1-CB 3.87Å; L404-F454 HydrophobicContact CD1-CD1 3.71Å; L404-F454 HydrophobicContact CD1-CG 4.21Å; L404-L456 HydrophobicContact CD1-CB 3.79Å; L404-L456 HydrophobicContact CD1-CD2 4.42Å; L404-L456 HydrophobicContact CD2-CD2 4.18Å; L404-I464 HydrophobicContact CD2-CD1 4.11Å; L404-I468 HydrophobicContact CD2-CD1 3.22Å; L404-I468 HydrophobicContact CD2-CG1 4.22Å; L404-I476 HydrophobicContact CB-CG2 3.84Å; L404-T477 PolarHBondContact N-O 3.44Å; L404-L478 HydrophobicContact CB-CD2 4.2Å; L404-L478 HydrophobicContact CD2-CD2 3.89Å; L404-V479 PolarHBondContact O-N 3.49Å
405	L	94.7	Very high	91.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.2	170	-67.6	89	0	0	0	108.7	V403 V415 F418 V419 L422 L453 F454 G455 L456 V479	V403-L405 HydrophobicContact CG1-CD1 3.87Å; L405-V415 HydrophobicContact CB-CG1 4.1Å; L405-F418 HydrophobicContact CD2-CB 3.96Å; L405-F418 HydrophobicContact CD2-CD1 4.24Å; L405-F418 HydrophobicContact CD2-CD2 3.89Å; L405-F418 HydrophobicContact CD2-CE2 4.45Å; L405-F418 HydrophobicContact CD2-CG 3.75Å; L405-V419 HydrophobicContact CB-CG2 4.12Å; L405-V419 HydrophobicContact CD1-CG2 3.96Å; L405-V419 HydrophobicContact CD2-CG2 4.27Å; L405-V419 HydrophobicContact CG-CG2 4.33Å; L405-L422 HydrophobicContact CD1-CD1 3.93Å; L405-L422 HydrophobicContact CD2-CD1 4.06Å; L405-L453 HydrophobicContact CD1-CD1 3.51Å; L405-F454 PolarHBondContact N-O 2.82Å; L405-G455 CarbonylContact O-C 3.57Å; L405-G455 VanDerWaalsContact O-CA 3.29Å; L405-G455 WeakPolarHBondContact O-CA 3.49Å; L405-L456 PolarHBondContact O-N 3.11Å; L405-V479 HydrophobicContact CB-CB 4.44Å; L405-V479 HydrophobicContact CD2-CG1 4.36Å; L405-V479 HydrophobicContact CG-CB 3.9Å; L405-V479 HydrophobicContact CG-CG1 4.26Å; L405-V479 HydrophobicContact CG-CG2 4.07Å
406	F	94.4	Very high	91.7	Very high	8 Å²	8	38 Å²	38	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.3	178.4	65.4	-89.9	0	0	0	113.2	L404 L456 V458 I464 L478 V479 D480 L481	L404-F406 HydrophobicContact CD2-CD1 4.5Å; L404-F406 HydrophobicContact CG-CD1 4.41Å; F406-L456 WeakPolarHBondContact CA-O 3.37Å; F406-L456 HydrophobicContact CB-CB 4.04Å; F406-L456 WeakPolarHBondContact CB-O 2.94Å; F406-V458 HydrophobicContact CB-CB 4.46Å; F406-V458 HydrophobicContact CB-CG2 3.77Å; F406-V458 HydrophobicContact CD2-CB 3.93Å; F406-V458 HydrophobicContact CD2-CG1 4.39Å; F406-V458 HydrophobicContact CD2-CG2 3.76Å; F406-V458 HydrophobicContact CG-CG2 4Å; F406-I464 HydrophobicContact CB-CD1 4.42Å; F406-I464 HydrophobicContact CD1-CD1 3.74Å; F406-I464 HydrophobicContact CD1-CG1 4.35Å; F406-I464 HydrophobicContact CD2-CD1 4.1Å; F406-I464 HydrophobicContact CE1-CB 4.45Å; F406-I464 HydrophobicContact CE1-CD1 3.9Å; F406-I464 HydrophobicContact CE1-CG1 4.01Å; F406-I464 HydrophobicContact CE2-CB 4.29Å; F406-I464 HydrophobicContact CE2-CD1 4.24Å; F406-I464 HydrophobicContact CG-CD1 3.83Å; F406-I464 HydrophobicContact CZ-CB 4.03Å; F406-I464 HydrophobicContact CZ-CD1 4.14Å; F406-I464 HydrophobicContact CZ-CG1 4.1Å; F406-L478 HydrophobicContact CE1-CB 4.24Å; F406-L478 HydrophobicContact CE1-CD2 4.18Å; F406-V479 WeakPolarHBondContact CD1-O 3.19Å; F406-V479 PolarHBondContact N-O 3.48Å; F406-D480 HydrophobicContact CE1-CB 4.09Å; F406-D480 HydrophobicContact CE2-CB 3.71Å; F406-D480 WeakPolarHBondContact CE2-OD2 3.43Å; F406-D480 HydrophobicContact CZ-CB 3.4Å; F406-L481 PolarHBondContact O-N 3.43Å
407	S	94	Very high	91.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	169.6	177.2	-158.4	0	0	0	0	110.8	R411 V415 L456 H457 V458 N482	S407-R411 WeakPolarHBondContact OG-CB 2.93Å; S407-R411 WeakPolarHBondContact OG-CD 3.5Å; S407-V415 VanDerWaalsContact CB-CG2 3.42Å; S407-L456 PolarHBondContact N-O 3.44Å; S407-H457 WeakPolarHBondContact O-CA 3.32Å; S407-V458 CarbonylContact C-O 3.51Å; S407-V458 PolarHBondContact O-N 2.87Å; S407-N482 PolarHBondContact OG-OD1 2.98Å; S407-N482 VanDerWaalsContact OG-OD1 3.14Å
408	N	93.4	Very high	91	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.059	18%	0.184	C	C	.	.			trans	-68.5	163.5	166.6	73	-19.2	0	0	0	112.9	L410 R411 V458 K460 N482	N408-L410 PolarHBondContact O-N 2.65Å; N408-L410 VanDerWaalsContact O-N 3.15Å; N408-R411 PolarHBondContact O-N 3.19Å; N408-V458 VanDerWaalsContact CA-O 3.28Å; N408-V458 WeakPolarHBondContact CA-O 3.5Å; N408-V458 PolarHBondContact N-O 2.89Å; N408-K460 HydrophobicContact CB-CG 4.09Å; N408-K460 VanDerWaalsContact ND2-CE 3.28Å; N408-K460 WeakPolarHBondContact ND2-CE 3.5Å; N408-N482 WeakPolarHBondContact CB-OD1 3.49Å; N408-N482 PolarHBondContact N-ND2 2.83Å; N408-N482 PolarHBondContact N-OD1 2.98Å; N408-N482 PolarHBondContact OD1-OD1 3.35Å
409	E	93	Very high	90.9	Very high	76 Å²	76	39.2 Å²	39.2	36%	0.355	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-55.6	-34.7	-177.5	-168.4	61.6	-157.2	0	0	113.4	R411 R412 W438 H457	E409-R411 PolarHBondContact O-N 2.95Å; E409-R411 VanDerWaalsContact O-N 3.08Å; E409-R412 WeakPolarHBondContact O-CB 3.4Å; E409-R412 PolarHBondContact O-N 3.23Å; E409-R412 WeakPolarHBondContact OE1-CD 3.43Å; E409-R412 IonicContact OE1-CZ 2.77Å; E409-R412 IonicContact OE1-NE 3.9Å; E409-R412 IonicContact OE1-NH1 3.84Å; E409-R412 PolarHBondContact OE1-NH1 3.25Å; E409-W438 VanDerWaalsContact OE2-CZ2 3.3Å; E409-W438 WeakPolarHBondContact OE2-CZ2 3.31Å; E409-H457 PolarHBondContact N-CD2 3.49Å; E409-H457 PolarHBondContact N-NE2 3.23Å; E409-H457 VanDerWaalsContact N-NE2 3.18Å; E409-H457 IonicContact OE2-CD2 3.44Å; E409-H457 IonicContact OE2-CG 3.3Å
410	L	91.8	Very high	90.6	Very high	153 Å²	153	41.3 Å²	41.3	80%	0.801	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-59.7	-24	179.1	-64.3	175.8	0	0	0	113.5	N408	N408-L410 PolarHBondContact O-N 2.65Å; N408-L410 VanDerWaalsContact O-N 3.15Å
411	R	90	Very high	90.4	Very high	99 Å²	99	41.5 Å²	41.5	37%	0.374	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-108.2	13.4	179.7	-71.5	-175.8	175.3	-153.5	-2	112.5	S407 N408 E409 K413 N414 V415 L481	S407-R411 WeakPolarHBondContact OG-CB 2.93Å; S407-R411 WeakPolarHBondContact OG-CD 3.5Å; N408-R411 PolarHBondContact O-N 3.19Å; E409-R411 PolarHBondContact O-N 2.95Å; E409-R411 VanDerWaalsContact O-N 3.08Å; R411-K413 VanDerWaalsContact C-N 3.27Å; R411-K413 PolarHBondContact O-N 3.4Å; R411-N414 WeakPolarHBondContact O-CB 3.43Å; R411-N414 PolarHBondContact O-N 2.92Å; R411-V415 WeakPolarHBondContact O-CG2 3.08Å; R411-V415 PolarHBondContact O-N 2.62Å; R411-L481 PolarHBondContact NH1-O 3.29Å
412	R	91.6	Very high	90.4	Very high	102 Å²	102	41.1 Å²	41.1	39%	0.385	20%	0.195	S	C	.	.	H	α-helix	trans	-50.4	-45.8	178.4	172.9	173.3	174.7	168.8	3.4	112.6	E409 N414 V415 V416 W438 E440	E409-R412 WeakPolarHBondContact O-CB 3.4Å; E409-R412 PolarHBondContact O-N 3.23Å; E409-R412 WeakPolarHBondContact OE1-CD 3.43Å; E409-R412 IonicContact OE1-CZ 2.77Å; E409-R412 IonicContact OE1-NE 3.9Å; E409-R412 IonicContact OE1-NH1 3.84Å; E409-R412 PolarHBondContact OE1-NH1 3.25Å; R412-N414 VanDerWaalsContact C-N 3.33Å; R412-N414 PolarHBondContact O-N 3.32Å; R412-V415 PolarHBondContact O-N 2.95Å; R412-V416 HydrophobicContact CG-CG2 4.28Å; R412-V416 WeakPolarHBondContact O-CG2 3.18Å; R412-V416 PolarHBondContact O-N 3.36Å; R412-W438 HydrophobicContact CB-CD2 4.46Å; R412-W438 HydrophobicContact CB-CH2 3.98Å; R412-W438 HydrophobicContact CB-CZ2 3.83Å; R412-W438 HydrophobicContact CB-CZ3 4.36Å; R412-W438 HydrophobicContact CG-CD2 3.81Å; R412-W438 HydrophobicContact CG-CE3 4.18Å; R412-W438 HydrophobicContact CG-CG 4.22Å; R412-W438 HydrophobicContact CG-CH2 4.38Å; R412-W438 HydrophobicContact CG-CZ2 4Å; R412-W438 HydrophobicContact CG-CZ3 4.47Å; R412-E440 IonicContact NH1-OE1 3.72Å
413	K	87.9	Confident	90.2	Very high	175 Å²	175	44 Å²	44	76%	0.761	21%	0.207	S	C	*	.	H	α-helix	trans	-55.7	-48.2	177.8	-69.4	-172.5	176.2	-173.5	0	111.5	R411 V415 V416 A417	R411-K413 VanDerWaalsContact C-N 3.27Å; R411-K413 PolarHBondContact O-N 3.4Å; K413-V415 VanDerWaalsContact C-N 3.35Å; K413-V415 PolarHBondContact O-N 3.5Å; K413-V416 PolarHBondContact O-N 2.84Å; K413-A417 WeakPolarHBondContact O-CB 3.29Å; K413-A417 PolarHBondContact O-N 3.32Å
414	N	87.3	Confident	89.8	Confident	99 Å²	99	47.4 Å²	47.4	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-41.4	179.6	-58.6	9.6	0	0	0	111.8	R411 R412 F418	R411-N414 WeakPolarHBondContact O-CB 3.43Å; R411-N414 PolarHBondContact O-N 2.92Å; R412-N414 VanDerWaalsContact C-N 3.33Å; R412-N414 PolarHBondContact O-N 3.32Å; N414-F418 VanDerWaalsContact O-CB 3.27Å; N414-F418 WeakPolarHBondContact O-CB 3.21Å; N414-F418 PolarHBondContact O-N 3.41Å
415	V	89.9	Confident	89.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-48.6	177.8	-179.9	0	0	0	0	110.2	L405 S407 R411 R412 K413 A417 F418 V419 W438 L481	L405-V415 HydrophobicContact CB-CG1 4.1Å; S407-V415 VanDerWaalsContact CB-CG2 3.42Å; R411-V415 WeakPolarHBondContact O-CG2 3.08Å; R411-V415 PolarHBondContact O-N 2.62Å; R412-V415 PolarHBondContact O-N 2.95Å; K413-V415 VanDerWaalsContact C-N 3.35Å; K413-V415 PolarHBondContact O-N 3.5Å; V415-A417 VanDerWaalsContact C-N 3.35Å; V415-A417 PolarHBondContact O-N 3.49Å; V415-F418 PolarHBondContact O-N 3.28Å; V415-V419 HydrophobicContact CG1-CG2 4.07Å; V415-V419 WeakPolarHBondContact O-CB 3.18Å; V415-V419 WeakPolarHBondContact O-CG2 3.25Å; V415-V419 PolarHBondContact O-N 3.08Å; V415-W438 HydrophobicContact CB-CE3 3.96Å; V415-W438 HydrophobicContact CB-CZ3 3.59Å; V415-W438 HydrophobicContact CG1-CE3 3.83Å; V415-W438 HydrophobicContact CG1-CZ3 3.71Å; V415-W438 HydrophobicContact CG2-CE3 4.48Å; V415-W438 HydrophobicContact CG2-CH2 4.4Å; V415-W438 HydrophobicContact CG2-CZ3 3.62Å; V415-L481 HydrophobicContact CB-CD1 4.4Å; V415-L481 HydrophobicContact CG2-CD1 3.64Å
416	V	89.9	Confident	89.3	Confident	39 Å²	39	47.5 Å²	47.5	24%	0.236	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-46.4	179.4	171.1	0	0	0	0	110.6	R412 K413 F418 V419 N420 L437 W438	R412-V416 HydrophobicContact CG-CG2 4.28Å; R412-V416 WeakPolarHBondContact O-CG2 3.18Å; R412-V416 PolarHBondContact O-N 3.36Å; K413-V416 PolarHBondContact O-N 2.84Å; V416-F418 VanDerWaalsContact C-N 3.35Å; V416-F418 PolarHBondContact O-N 2.75Å; V416-V419 PolarHBondContact O-N 3.44Å; V416-N420 WeakPolarHBondContact O-CB 3.27Å; V416-N420 PolarHBondContact O-N 3.01Å; V416-L437 HydrophobicContact CG1-CB 4.35Å; V416-L437 HydrophobicContact CG1-CD1 4.28Å; V416-L437 HydrophobicContact CG2-CB 4.45Å; V416-W438 HydrophobicContact CG2-CB 4.11Å
417	A	84	Confident	89.1	Confident	10 Å²	10	47.2 Å²	47.2	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-45.2	177.3	0	0	0	0	0	111.9	D380 K413 V415 N420 S421	D380-A417 HydrophobicContact CB-CB 4.29Å; D380-A417 WeakPolarHBondContact OD1-CB 3.29Å; K413-A417 WeakPolarHBondContact O-CB 3.29Å; K413-A417 PolarHBondContact O-N 3.32Å; V415-A417 VanDerWaalsContact C-N 3.35Å; V415-A417 PolarHBondContact O-N 3.49Å; A417-N420 PolarHBondContact O-N 3.18Å; A417-S421 WeakPolarHBondContact O-CB 3.35Å; A417-S421 PolarHBondContact O-N 3.29Å; A417-S421 PolarHBondContact O-OG 3.2Å
418	F	87.9	Confident	88.6	Confident	23 Å²	23	47.4 Å²	47.4	10%	0.101	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-46.2	-179.1	-156.7	-15.2	0	0	0	111.5	A383 M384 C387 L393 L405 N414 V415 V416 N420 S421 L422 L481	A383-F418 HydrophobicContact CB-CD1 4.4Å; M384-F418 HydrophobicContact SD-CD1 4.33Å; M384-F418 HydrophobicContact SD-CE1 3.92Å; C387-F418 HydrophobicContact CB-CZ 4.16Å; L393-F418 HydrophobicContact CD2-CE1 3.92Å; L393-F418 HydrophobicContact CD2-CZ 3.79Å; L405-F418 HydrophobicContact CD2-CB 3.96Å; L405-F418 HydrophobicContact CD2-CD1 4.24Å; L405-F418 HydrophobicContact CD2-CD2 3.89Å; L405-F418 HydrophobicContact CD2-CE2 4.45Å; L405-F418 HydrophobicContact CD2-CG 3.75Å; N414-F418 VanDerWaalsContact O-CB 3.27Å; N414-F418 WeakPolarHBondContact O-CB 3.21Å; N414-F418 PolarHBondContact O-N 3.41Å; V415-F418 PolarHBondContact O-N 3.28Å; V416-F418 VanDerWaalsContact C-N 3.35Å; V416-F418 PolarHBondContact O-N 2.75Å; F418-N420 VanDerWaalsContact C-N 3.29Å; F418-N420 PolarHBondContact O-N 2.97Å; F418-S421 WeakPolarHBondContact O-CB 3.46Å; F418-S421 PolarHBondContact O-N 3.38Å; F418-S421 VanDerWaalsContact O-N 3.11Å; F418-L422 HydrophobicContact CD1-CD1 3.66Å; F418-L422 HydrophobicContact CD1-CG 3.86Å; F418-L422 HydrophobicContact CE1-CD1 3.68Å; F418-L422 HydrophobicContact CE1-CD2 4.34Å; F418-L422 HydrophobicContact CE1-CG 3.87Å; F418-L422 PolarHBondContact O-N 3.26Å; F418-L481 HydrophobicContact CD2-CD2 4.39Å; F418-L481 HydrophobicContact CE2-CD2 4.45Å
419	V	89.7	Confident	87.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-44	174.3	174.9	0	0	0	0	110.4	L405 V415 V416 S421 L422 K423 V435 L437 L453	L405-V419 HydrophobicContact CB-CG2 4.12Å; L405-V419 HydrophobicContact CD1-CG2 3.96Å; L405-V419 HydrophobicContact CD2-CG2 4.27Å; L405-V419 HydrophobicContact CG-CG2 4.33Å; V415-V419 HydrophobicContact CG1-CG2 4.07Å; V415-V419 WeakPolarHBondContact O-CB 3.18Å; V415-V419 WeakPolarHBondContact O-CG2 3.25Å; V415-V419 PolarHBondContact O-N 3.08Å; V416-V419 PolarHBondContact O-N 3.44Å; V419-S421 PolarHBondContact O-N 3.13Å; V419-L422 PolarHBondContact O-N 3.39Å; V419-K423 VanDerWaalsContact O-CB 3.28Å; V419-K423 WeakPolarHBondContact O-CB 3.38Å; V419-K423 PolarHBondContact O-N 3.11Å; V419-V435 HydrophobicContact CG1-CG1 3.54Å; V419-L437 HydrophobicContact CB-CD2 4.26Å; V419-L437 HydrophobicContact CG1-CD2 3.7Å; V419-L453 HydrophobicContact CG1-CD2 3.82Å; V419-L453 HydrophobicContact CG1-CG 3.96Å; V419-L453 WeakPolarHBondContact O-CD2 3.29Å
420	N	86	Confident	86.5	Confident	53 Å²	53	47.6 Å²	47.6	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-66.4	-28.2	179.6	-162.6	31.8	0	0	0	112.5	V416 A417 F418 L437	V416-N420 WeakPolarHBondContact O-CB 3.27Å; V416-N420 PolarHBondContact O-N 3.01Å; A417-N420 PolarHBondContact O-N 3.18Å; F418-N420 VanDerWaalsContact C-N 3.29Å; F418-N420 PolarHBondContact O-N 2.97Å; N420-L437 HydrophobicContact CB-CD2 4.17Å
421	S	85.4	Confident	85.1	Confident	7 Å²	7	43.5 Å²	43.5	5%	0.049	20%	0.203	C	C	.	.	H	α-helix	trans	-76.1	-45.7	173.9	-57.7	0	0	0	0	112	A417 F418 V419 K423 R424	A417-S421 WeakPolarHBondContact O-CB 3.35Å; A417-S421 PolarHBondContact O-N 3.29Å; A417-S421 PolarHBondContact O-OG 3.2Å; F418-S421 WeakPolarHBondContact O-CB 3.46Å; F418-S421 PolarHBondContact O-N 3.38Å; F418-S421 VanDerWaalsContact O-N 3.11Å; V419-S421 PolarHBondContact O-N 3.13Å; S421-K423 VanDerWaalsContact C-N 3.34Å; S421-K423 PolarHBondContact O-N 2.89Å; S421-R424 WeakPolarHBondContact O-CB 3.18Å; S421-R424 WeakPolarHBondContact O-CG 3.39Å; S421-R424 PolarHBondContact O-N 3.32Å
422	L	88.7	Confident	83.9	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-31.8	177.1	-76.8	167.2	0	0	0	113.3	M384 L393 L394 V397 L405 F418 V419 R424 F425 L453	M384-L422 HydrophobicContact CE-CD2 3.55Å; M384-L422 HydrophobicContact CE-CG 4.35Å; M384-L422 HydrophobicContact SD-CD2 3.64Å; M384-L422 HydrophobicContact SD-CG 3.86Å; L393-L422 HydrophobicContact CD2-CD1 3.86Å; L393-L422 HydrophobicContact CD2-CD2 3.93Å; L393-L422 HydrophobicContact CD2-CG 4.48Å; L393-L422 HydrophobicContact CG-CD1 4.34Å; L393-L422 HydrophobicContact CG-CD2 4.05Å; L394-L422 HydrophobicContact CD2-CD2 4.39Å; V397-L422 HydrophobicContact CG2-CD2 4.39Å; L405-L422 HydrophobicContact CD1-CD1 3.93Å; L405-L422 HydrophobicContact CD2-CD1 4.06Å; F418-L422 HydrophobicContact CD1-CD1 3.66Å; F418-L422 HydrophobicContact CD1-CG 3.86Å; F418-L422 HydrophobicContact CE1-CD1 3.68Å; F418-L422 HydrophobicContact CE1-CD2 4.34Å; F418-L422 HydrophobicContact CE1-CG 3.87Å; F418-L422 PolarHBondContact O-N 3.26Å; V419-L422 PolarHBondContact O-N 3.39Å; L422-R424 PolarHBondContact O-N 2.94Å; L422-F425 PolarHBondContact O-N 3.23Å; L422-L453 HydrophobicContact CB-CD1 4.29Å; L422-L453 HydrophobicContact CB-CD2 3.62Å; L422-L453 HydrophobicContact CD1-CD1 4.22Å
423	K	87.9	Confident	82.9	Confident	70 Å²	70	39 Å²	39	30%	0.304	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-47	-34.4	172.9	162.2	-175.9	168.4	-175	0	112.2	G336 V419 S421 F425 V426 P433 V435 L453	G336-K423 WeakPolarHBondContact CA-O 3.42Å; V419-K423 VanDerWaalsContact O-CB 3.28Å; V419-K423 WeakPolarHBondContact O-CB 3.38Å; V419-K423 PolarHBondContact O-N 3.11Å; S421-K423 VanDerWaalsContact C-N 3.34Å; S421-K423 PolarHBondContact O-N 2.89Å; K423-F425 PolarHBondContact O-N 2.66Å; K423-F425 VanDerWaalsContact O-N 3.14Å; K423-V426 PolarHBondContact O-N 3.07Å; K423-P433 HydrophobicContact CD-CG 4.32Å; K423-P433 HydrophobicContact CG-CG 3.82Å; K423-V435 HydrophobicContact CB-CG1 4.35Å; K423-V435 HydrophobicContact CB-CG2 4.3Å; K423-V435 HydrophobicContact CG-CG2 4.27Å; K423-L453 HydrophobicContact CB-CD2 4.38Å
424	R	84.6	Confident	82.6	Confident	70 Å²	70	31.9 Å²	31.9	26%	0.264	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-66.3	-9.8	-180	-56	-179	-173.6	-156.2	-2.6	113.3	I335 S421 L422 V513	I335-R424 WeakPolarHBondContact CG2-O 3.29Å; S421-R424 WeakPolarHBondContact O-CB 3.18Å; S421-R424 WeakPolarHBondContact O-CG 3.39Å; S421-R424 PolarHBondContact O-N 3.32Å; L422-R424 PolarHBondContact O-N 2.94Å; R424-V513 HydrophobicContact CB-CG1 4.26Å
425	F	89.3	Confident	82.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-115.2	1.9	-178	-63.9	-77.9	0	0	0	113.8	I335 M384 L394 V397 L422 K423 P427 V513 M516 L517 L520	I335-F425 VanDerWaalsContact CG2-CA 3.48Å; M384-F425 HydrophobicContact CE-CD2 3.72Å; M384-F425 HydrophobicContact CE-CE2 3.56Å; L394-F425 HydrophobicContact CD2-CB 3.67Å; L394-F425 HydrophobicContact CD2-CD1 4.05Å; L394-F425 HydrophobicContact CD2-CD2 3.75Å; L394-F425 HydrophobicContact CD2-CE2 4.4Å; L394-F425 HydrophobicContact CD2-CG 3.53Å; V397-F425 HydrophobicContact CG1-CB 4.24Å; V397-F425 WeakPolarHBondContact CG1-O 3.3Å; L422-F425 PolarHBondContact O-N 3.23Å; K423-F425 PolarHBondContact O-N 2.66Å; K423-F425 VanDerWaalsContact O-N 3.14Å; F425-P427 VanDerWaalsContact O-CD 3.23Å; F425-P427 WeakPolarHBondContact O-CD 3.29Å; F425-V513 HydrophobicContact CE2-CG1 4.4Å; F425-V513 HydrophobicContact CE2-CG2 4.1Å; F425-V513 HydrophobicContact CZ-CB 4.29Å; F425-V513 HydrophobicContact CZ-CG1 3.97Å; F425-V513 HydrophobicContact CZ-CG2 3.98Å; F425-M516 HydrophobicContact CE1-CB 3.74Å; F425-M516 HydrophobicContact CZ-CB 4.11Å; F425-L517 HydrophobicContact CD1-CD2 4.22Å; F425-L517 HydrophobicContact CE1-CD2 4.2Å; F425-L517 HydrophobicContact CE1-CG 4.42Å; F425-L520 HydrophobicContact CD1-CD1 4.03Å; F425-L520 HydrophobicContact CE1-CD1 4.47Å
426	V	89.5	Confident	82.5	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.173	C	C	.	.			trans	-76.6	115.5	-178.5	178.9	0	0	0	0	109.9	G336 V397 K423 P433 V435 K452 L453	G336-V426 PolarHBondContact N-O 3.45Å; V397-V426 HydrophobicContact CG1-CB 4.42Å; V397-V426 HydrophobicContact CG1-CG2 3.87Å; K423-V426 PolarHBondContact O-N 3.07Å; V426-P433 HydrophobicContact CB-CB 4.38Å; V426-P433 HydrophobicContact CG1-CB 4.39Å; V426-V435 HydrophobicContact CG2-CG2 4.14Å; V426-K452 HydrophobicContact CG1-CB 4.12Å; V426-L453 HydrophobicContact CG2-CB 4.26Å; V426-L453 HydrophobicContact CG2-CD2 4.25Å
427	P	89.5	Confident	82.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.5	172.7	-17.4	32.8	0	0	0	110.5	R334 L398 F425 F524 Y568 L572	R334-P427 CarbonylContact O-C 3.59Å; R334-P427 WeakPolarHBondContact O-CA 3.25Å; L398-P427 HydrophobicContact CD2-CG 4.19Å; F425-P427 VanDerWaalsContact O-CD 3.23Å; F425-P427 WeakPolarHBondContact O-CD 3.29Å; P427-F524 HydrophobicContact CB-CZ 4.15Å; P427-F524 HydrophobicContact CG-CZ 4.38Å; P427-Y568 HydrophobicContact CB-CD1 4.45Å; P427-Y568 HydrophobicContact CB-CE1 3.99Å; P427-Y568 HydrophobicContact CG-CD1 4.35Å; P427-Y568 HydrophobicContact CG-CE1 4.09Å; P427-L572 HydrophobicContact CB-CD1 3.83Å
428	T	83.1	Confident	82.8	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.025	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	153.1	-178.8	-175	0	0	0	0	111.4	R334 Y430 P433	R334-T428 WeakPolarHBondContact CA-O 3.44Å; R334-T428 HydrophobicContact CB-CG2 4.02Å; R334-T428 PolarHBondContact N-O 3.02Å; R334-T428 PolarHBondContact O-N 3.48Å; T428-Y430 WeakPolarHBondContact OG1-CD2 3.05Å; T428-Y430 PolarHBondContact OG1-N 3.35Å; T428-P433 HydrophobicContact CG2-CB 4.16Å
429	V	74.1	Confident	83	Confident	11 Å²	11	37.1 Å²	37.1	7%	0.067	19%	0.185	C	C	.	.	S	Bend	trans	-99.1	-11.3	168.1	-65.7	0	0	0	0	112.2	V333 L572 Q576 A591	V333-V429 HydrophobicContact CG2-CG1 4.28Å; V429-L572 HydrophobicContact CG1-CB 4.25Å; V429-Q576 HydrophobicContact CB-CG 4.02Å; V429-Q576 HydrophobicContact CG1-CG 3.95Å; V429-Q576 HydrophobicContact CG2-CG 4.09Å; V429-A591 HydrophobicContact CG2-CB 4.44Å
430	Y	68.8	Low	83.1	Confident	80 Å²	80	42.4 Å²	42.4	31%	0.314	21%	0.21	S	C	.	.	S	Bend	trans	-79.6	156	179.6	-55.8	-65.5	0	0	0	112.6	T428 T432 A591 L592	T428-Y430 WeakPolarHBondContact OG1-CD2 3.05Å; T428-Y430 PolarHBondContact OG1-N 3.35Å; Y430-T432 VanDerWaalsContact C-N 3.25Å; Y430-T432 WeakPolarHBondContact CB-O 3.38Å; Y430-T432 PolarHBondContact O-N 3.4Å; Y430-A591 WeakPolarHBondContact OH-CB 3.22Å; Y430-L592 PolarHBondContact OH-N 3.31Å
431	S	61.2	Low	83.2	Confident	67 Å²	67	41.4 Å²	41.4	47%	0.469	21%	0.212	S	C	.	.	S	Bend	trans	-64	-31.4	175.3	56.5	0	0	0	0	112.6
432	T	64.8	Low	83.3	Confident	88 Å²	88	50 Å²	50	54%	0.54	24%	0.243	S	C	.	.	S	Bend	trans	-118.7	131.3	173.6	53.9	0	0	0	0	110	Y430	Y430-T432 VanDerWaalsContact C-N 3.25Å; Y430-T432 WeakPolarHBondContact CB-O 3.38Å; Y430-T432 PolarHBondContact O-N 3.4Å
433	P	70.9	Confident	83.2	Confident	18 Å²	18	51.2 Å²	51.2	12%	0.117	25%	0.25	C	C	.	.			trans	-69.3	141.9	178.9	29.1	-34.6	0	0	0	109.8	K423 V426 T428 V435	K423-P433 HydrophobicContact CD-CG 4.32Å; K423-P433 HydrophobicContact CG-CG 3.82Å; V426-P433 HydrophobicContact CB-CB 4.38Å; V426-P433 HydrophobicContact CG1-CB 4.39Å; T428-P433 HydrophobicContact CG2-CB 4.16Å; P433-V435 HydrophobicContact CB-CG2 3.94Å; P433-V435 HydrophobicContact CG-CG2 4.19Å; P433-V435 PolarHBondContact O-N 3.5Å
434	P	81.7	Confident	82.9	Confident	27 Å²	27	50.9 Å²	50.9	18%	0.175	26%	0.257	C	S	.	.	S	Bend	trans	-72.5	75	-176.1	31.2	-37.8	0	0	0	111.1	D450 Y451 K452	P434-D450 WeakPolarHBondContact CB-O 3.25Å; P434-Y451 WeakPolarHBondContact O-CA 3.44Å; P434-K452 HydrophobicContact CG-CB 4.18Å; P434-K452 HydrophobicContact CG-CG 3.67Å; P434-K452 PolarHBondContact O-N 2.93Å
435	V	85.9	Confident	82.4	Confident	25 Å²	25	50.5 Å²	50.5	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.3	-171.1	-178.1	0	0	0	0	110.8	V419 K423 V426 P433 L437 L453	V419-V435 HydrophobicContact CG1-CG1 3.54Å; K423-V435 HydrophobicContact CB-CG1 4.35Å; K423-V435 HydrophobicContact CB-CG2 4.3Å; K423-V435 HydrophobicContact CG-CG2 4.27Å; V426-V435 HydrophobicContact CG2-CG2 4.14Å; P433-V435 HydrophobicContact CB-CG2 3.94Å; P433-V435 HydrophobicContact CG-CG2 4.19Å; P433-V435 PolarHBondContact O-N 3.5Å; V435-L437 HydrophobicContact CG1-CD2 4.4Å; V435-L453 VanDerWaalsContact CA-O 3.29Å; V435-L453 WeakPolarHBondContact CA-O 3.3Å; V435-L453 HydrophobicContact CB-CB 4.47Å; V435-L453 HydrophobicContact CG1-CB 4.05Å; V435-L453 HydrophobicContact CG1-CD2 3.92Å; V435-L453 HydrophobicContact CG1-CG 4.14Å; V435-L453 HydrophobicContact CG2-CB 4.01Å; V435-L453 HydrophobicContact CG2-CD2 4.39Å
436	R	88.9	Confident	81.8	Confident	115 Å²	115	54.2 Å²	54.2	43%	0.434	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.5	170.1	-169.8	72.6	-176.9	-167.4	-1.7	110	W438 H439 Y451 L453 F454 G455	R436-W438 PolarHBondContact NE-O 3.42Å; R436-H439 HydrophobicContact CG-CB 4.47Å; R436-Y451 HydrophobicContact CB-CD1 3.95Å; R436-Y451 HydrophobicContact CB-CE1 3.89Å; R436-L453 PolarHBondContact N-O 3.03Å; R436-F454 HydrophobicContact CB-CD2 3.38Å; R436-F454 HydrophobicContact CB-CE2 3.39Å; R436-F454 HydrophobicContact CB-CG 3.98Å; R436-F454 HydrophobicContact CB-CZ 4.01Å; R436-F454 HydrophobicContact CG-CD2 4.11Å; R436-F454 HydrophobicContact CG-CE1 4.36Å; R436-F454 HydrophobicContact CG-CE2 3.64Å; R436-F454 HydrophobicContact CG-CZ 3.79Å; R436-F454 CarbonylContact O-C 3.53Å; R436-F454 WeakPolarHBondContact O-CA 3.44Å; R436-G455 PolarHBondContact O-N 2.81Å
437	L	89.4	Confident	81.4	Confident	66 Å²	66	54.8 Å²	54.8	35%	0.346	29%	0.294	S	S	.	.	S	Bend	trans	-73	-39.3	-176.8	-60.6	-177.7	0	0	0	113.6	V416 V419 N420 V435	V416-L437 HydrophobicContact CG1-CB 4.35Å; V416-L437 HydrophobicContact CG1-CD1 4.28Å; V416-L437 HydrophobicContact CG2-CB 4.45Å; V419-L437 HydrophobicContact CB-CD2 4.26Å; V419-L437 HydrophobicContact CG1-CD2 3.7Å; N420-L437 HydrophobicContact CB-CD2 4.17Å; V435-L437 HydrophobicContact CG1-CD2 4.4Å
438	W	91.2	Very high	80.8	Confident	22 Å²	22	55.4 Å²	55.4	8%	0.083	30%	0.298	C	S	.	.			trans	-156.8	144.5	-179	-167.9	-107.3	0	0	0	110.5	E409 R412 V415 V416 R436 G455 H457	E409-W438 VanDerWaalsContact OE2-CZ2 3.3Å; E409-W438 WeakPolarHBondContact OE2-CZ2 3.31Å; R412-W438 HydrophobicContact CB-CD2 4.46Å; R412-W438 HydrophobicContact CB-CH2 3.98Å; R412-W438 HydrophobicContact CB-CZ2 3.83Å; R412-W438 HydrophobicContact CB-CZ3 4.36Å; R412-W438 HydrophobicContact CG-CD2 3.81Å; R412-W438 HydrophobicContact CG-CE3 4.18Å; R412-W438 HydrophobicContact CG-CG 4.22Å; R412-W438 HydrophobicContact CG-CH2 4.38Å; R412-W438 HydrophobicContact CG-CZ2 4Å; R412-W438 HydrophobicContact CG-CZ3 4.47Å; V415-W438 HydrophobicContact CB-CE3 3.96Å; V415-W438 HydrophobicContact CB-CZ3 3.59Å; V415-W438 HydrophobicContact CG1-CE3 3.83Å; V415-W438 HydrophobicContact CG1-CZ3 3.71Å; V415-W438 HydrophobicContact CG2-CE3 4.48Å; V415-W438 HydrophobicContact CG2-CH2 4.4Å; V415-W438 HydrophobicContact CG2-CZ3 3.62Å; V416-W438 HydrophobicContact CG2-CB 4.11Å; R436-W438 PolarHBondContact NE-O 3.42Å; W438-G455 CarbonylContact C-O 3.51Å; W438-G455 WeakPolarHBondContact CA-O 3.39Å; W438-H457 HydrophobicContact CH2-CB 4.03Å; W438-H457 HydrophobicContact CZ2-CB 3.42Å; W438-H457 VanDerWaalsContact CZ2-CB 3.42Å; W438-H457 AromaticContact CZ2-CD2 3.74Å; W438-H457 AromaticContact CZ2-CG 3.82Å
439	H	92.6	Very high	80.3	Confident	53 Å²	53	57.5 Å²	57.5	25%	0.245	31%	0.31	C	S	.	.			trans	-150.3	146.2	178	178.4	65.2	0	0	0	110.2	R436 F454 G455 H457	R436-H439 HydrophobicContact CG-CB 4.47Å; H439-F454 HydrophobicContact CB-CE1 3.39Å; H439-F454 HydrophobicContact CB-CZ 3.61Å; H439-F454 AromaticContact CD2-CE1 3.96Å; H439-F454 AromaticContact CG-CE1 3.86Å; H439-F454 AromaticContact CG-CZ 3.8Å; H439-G455 PolarHBondContact N-O 2.82Å; H439-H457 WeakPolarHBondContact O-CB 3.33Å; H439-H457 PolarHBondContact O-N 3.43Å
440	E	91.4	Very high	80.3	Confident	110 Å²	110	60.4 Å²	60.4	51%	0.514	33%	0.325	S	S	.	.			trans	-121.2	127.2	176.1	-68.2	169.1	-150.2	0	0	108.1	R412 H457	R412-E440 IonicContact NH1-OE1 3.72Å; E440-H457 HydrophobicContact CG-CB 3.81Å
441	G	88.9	Confident	81.1	Confident	32 Å²	32	59.7 Å²	59.7	33%	0.33	32%	0.322	S	S	.	.	S	Bend	trans	123.1	175.8	-179.5	0	0	0	0	0	113.7	L456 F467	G441-L456 WeakPolarHBondContact O-CD1 3.39Å; G441-F467 WeakPolarHBondContact O-CD1 3.38Å
442	R	87.4	Confident	82.3	Confident	187 Å²	187	57.5 Å²	57.5	71%	0.706	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-71.3	140.8	175.7	-76.8	-168.2	160.3	-173.3	-8.4	110.6	N466	R442-N466 WeakPolarHBondContact CG-O 3.47Å; R442-N466 PolarHBondContact NE-O 3.47Å; R442-N466 PolarHBondContact NH2-O 3.32Å
443	L	87.1	Confident	83.5	Confident	26 Å²	26	53.3 Å²	53.3	14%	0.136	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-79.3	127	177.4	-65.7	171	0	0	0	110.4	L404 T447 F454 L456 F467 I468	L404-L443 HydrophobicContact CD1-CD1 4.04Å; L404-L443 HydrophobicContact CD2-CD1 3.94Å; L443-T447 HydrophobicContact CD2-CG2 4Å; L443-F454 HydrophobicContact CD2-CD1 4.03Å; L443-F454 HydrophobicContact CD2-CE1 3.36Å; L443-F454 HydrophobicContact CD2-CE2 4.48Å; L443-F454 HydrophobicContact CD2-CZ 3.64Å; L443-L456 HydrophobicContact CD1-CD2 3.98Å; L443-L456 HydrophobicContact CD2-CD1 4.31Å; L443-L456 HydrophobicContact CG-CD1 4.31Å; L443-L456 HydrophobicContact CG-CD2 4.44Å; L443-F467 PolarHBondContact N-O 3.49Å; L443-I468 HydrophobicContact CD1-CD1 4.32Å; L443-I468 HydrophobicContact CD1-CG1 3.9Å
444	S	80.5	Confident	84.6	Confident	64 Å²	64	52.8 Å²	52.8	45%	0.448	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-66.1	149.5	166.2	171.1	0	0	0	0	109.8	T446 T447	S444-T446 PolarHBondContact O-N 3.45Å; S444-T446 PolarHBondContact OG-N 3.27Å; S444-T446 PolarHBondContact OG-OG1 3.03Å; S444-T447 PolarHBondContact N-OG1 2.87Å; S444-T447 VanDerWaalsContact O-CB 3.26Å; S444-T447 WeakPolarHBondContact O-CB 3.42Å; S444-T447 PolarHBondContact O-N 3.49Å; S444-T447 PolarHBondContact O-OG1 3.44Å
445	A	74.6	Confident	85.2	Confident	61 Å²	61	51.5 Å²	51.5	50%	0.504	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.3	172.3	0	0	0	0	0	112.9	T447 M472	A445-T447 PolarHBondContact O-N 3.42Å; A445-M472 HydrophobicContact CB-CE 3.6Å
446	T	77.1	Confident	85.6	Confident	78 Å²	78	50.3 Å²	50.3	48%	0.479	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.8	177.2	60.1	0	0	0	0	112.7	S444 I448 V449 D450	S444-T446 PolarHBondContact O-N 3.45Å; S444-T446 PolarHBondContact OG-N 3.27Å; S444-T446 PolarHBondContact OG-OG1 3.03Å; T446-I448 PolarHBondContact O-N 2.89Å; T446-I448 VanDerWaalsContact O-N 3.14Å; T446-V449 WeakPolarHBondContact O-CA 3.43Å; T446-V449 VanDerWaalsContact O-CB 3.27Å; T446-V449 WeakPolarHBondContact O-CB 3.5Å; T446-V449 PolarHBondContact O-N 2.87Å; T446-D450 PolarHBondContact O-N 2.8Å
447	T	80.6	Confident	85.9	Confident	14 Å²	14	46.6 Å²	46.6	9%	0.086	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-32.7	-176.1	-40	0	0	0	0	112.9	L443 S444 A445 V449 D450 Y451 F454	L443-T447 HydrophobicContact CD2-CG2 4Å; S444-T447 PolarHBondContact N-OG1 2.87Å; S444-T447 VanDerWaalsContact O-CB 3.26Å; S444-T447 WeakPolarHBondContact O-CB 3.42Å; S444-T447 PolarHBondContact O-N 3.49Å; S444-T447 PolarHBondContact O-OG1 3.44Å; A445-T447 PolarHBondContact O-N 3.42Å; T447-V449 VanDerWaalsContact C-N 3.26Å; T447-V449 PolarHBondContact O-N 3.09Å; T447-D450 PolarHBondContact O-N 3.23Å; T447-Y451 HydrophobicContact CG2-CD2 3.72Å; T447-Y451 HydrophobicContact CG2-CE2 4.32Å; T447-Y451 PolarHBondContact O-N 3.23Å; T447-F454 HydrophobicContact CG2-CD2 3.74Å; T447-F454 HydrophobicContact CG2-CE2 3.28Å; T447-F454 HydrophobicContact CG2-CZ 3.78Å
448	I	76.1	Confident	86.1	Confident	16 Å²	16	43.5 Å²	43.5	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-71.1	-26.1	178.9	-62.7	176.1	0	0	0	111.4	F402 T446 M472 I476 V595	F402-I448 HydrophobicContact CB-CG2 4.09Å; F402-I448 HydrophobicContact CD1-CG1 4.07Å; F402-I448 HydrophobicContact CE1-CG1 4.23Å; F402-I448 HydrophobicContact CG-CG1 4.38Å; F402-I448 HydrophobicContact CG-CG2 4.33Å; T446-I448 PolarHBondContact O-N 2.89Å; T446-I448 VanDerWaalsContact O-N 3.14Å; I448-M472 HydrophobicContact CD1-CB 4Å; I448-M472 HydrophobicContact CD1-CG 4.14Å; I448-M472 HydrophobicContact CD1-SD 3.34Å; I448-M472 WeakPolarHBondContact CD1-SD 3.38Å; I448-M472 HydrophobicContact CG1-SD 4.49Å; I448-I476 HydrophobicContact CD1-CD1 3.66Å; I448-I476 HydrophobicContact CD1-CG1 4.03Å; I448-I476 HydrophobicContact CG1-CD1 4.38Å; I448-V595 HydrophobicContact CG2-CG1 4.27Å
449	V	72.9	Confident	86.1	Confident	48 Å²	48	44.3 Å²	44.3	29%	0.291	24%	0.238	S	C	.	.	H	α-helix	trans	-76.4	-48.4	174	-172.2	0	0	0	0	109.3	T446 T447 Y451 V595	T446-V449 WeakPolarHBondContact O-CA 3.43Å; T446-V449 VanDerWaalsContact O-CB 3.27Å; T446-V449 WeakPolarHBondContact O-CB 3.5Å; T446-V449 PolarHBondContact O-N 2.87Å; T447-V449 VanDerWaalsContact C-N 3.26Å; T447-V449 PolarHBondContact O-N 3.09Å; V449-Y451 PolarHBondContact O-N 3.14Å; V449-V595 HydrophobicContact CB-CG2 4.01Å; V449-V595 HydrophobicContact CG1-CG2 3.71Å; V449-V595 HydrophobicContact CG2-CG2 4.05Å
450	D	75.2	Confident	85.9	Confident	71 Å²	71	49.5 Å²	49.5	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-73	-28.4	-170.6	-61.7	-27.5	0	0	0	114.1	P434 T446 T447 L592	P434-D450 WeakPolarHBondContact CB-O 3.25Å; T446-D450 PolarHBondContact O-N 2.8Å; T447-D450 PolarHBondContact O-N 3.23Å; D450-L592 HydrophobicContact CB-CD2 4.42Å
451	Y	84.3	Confident	85.8	Confident	65 Å²	65	49.7 Å²	49.7	26%	0.255	27%	0.274	S	S	.	.			trans	-126.3	152.3	-173.1	-63.9	-86	0	0	0	111.4	F402 P434 R436 T447 V449 F454	F402-Y451 WeakPolarHBondContact CD2-O 3.36Å; P434-Y451 WeakPolarHBondContact O-CA 3.44Å; R436-Y451 HydrophobicContact CB-CD1 3.95Å; R436-Y451 HydrophobicContact CB-CE1 3.89Å; T447-Y451 HydrophobicContact CG2-CD2 3.72Å; T447-Y451 HydrophobicContact CG2-CE2 4.32Å; T447-Y451 PolarHBondContact O-N 3.23Å; V449-Y451 PolarHBondContact O-N 3.14Å; Y451-F454 HydrophobicContact CD1-CD2 4.27Å; Y451-F454 AromaticContact CD2-CD2 3.99Å; Y451-F454 HydrophobicContact CD2-CD2 3.99Å; Y451-F454 AromaticContact CD2-CE2 3.82Å; Y451-F454 HydrophobicContact CD2-CE2 3.82Å; Y451-F454 HydrophobicContact CE2-CE2 4.13Å; Y451-F454 AromaticContact CG-CD2 3.77Å; Y451-F454 HydrophobicContact CG-CD2 3.77Å; Y451-F454 HydrophobicContact CG-CE2 4.04Å
452	K	86.4	Confident	85.8	Confident	21 Å²	21	50 Å²	50	9%	0.091	27%	0.271	C	S	.	.	S	Bend	trans	-109.2	-28.6	171.3	-61.4	-58.9	-173.5	-173.6	0	112.5	F402 V403 V426 P434 T594	F402-K452 WeakPolarHBondContact CA-O 3.32Å; V403-K452 PolarHBondContact N-O 3.27Å; V426-K452 HydrophobicContact CG1-CB 4.12Å; P434-K452 HydrophobicContact CG-CB 4.18Å; P434-K452 HydrophobicContact CG-CG 3.67Å; P434-K452 PolarHBondContact O-N 2.93Å; K452-T594 PolarHBondContact NZ-O 2.93Å
453	L	90.5	Very high	85.9	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.9	179.9	-177.2	69.9	0	0	0	109.6	V403 L405 V419 L422 K423 V426 V435 R436	V403-L453 HydrophobicContact CB-CD1 3.73Å; V403-L453 HydrophobicContact CG1-CD1 3.79Å; V403-L453 WeakPolarHBondContact O-CA 3.44Å; L405-L453 HydrophobicContact CD1-CD1 3.51Å; V419-L453 HydrophobicContact CG1-CD2 3.82Å; V419-L453 HydrophobicContact CG1-CG 3.96Å; V419-L453 WeakPolarHBondContact O-CD2 3.29Å; L422-L453 HydrophobicContact CB-CD1 4.29Å; L422-L453 HydrophobicContact CB-CD2 3.62Å; L422-L453 HydrophobicContact CD1-CD1 4.22Å; K423-L453 HydrophobicContact CB-CD2 4.38Å; V426-L453 HydrophobicContact CG2-CB 4.26Å; V426-L453 HydrophobicContact CG2-CD2 4.25Å; V435-L453 VanDerWaalsContact CA-O 3.29Å; V435-L453 WeakPolarHBondContact CA-O 3.3Å; V435-L453 HydrophobicContact CB-CB 4.47Å; V435-L453 HydrophobicContact CG1-CB 4.05Å; V435-L453 HydrophobicContact CG1-CD2 3.92Å; V435-L453 HydrophobicContact CG1-CG 4.14Å; V435-L453 HydrophobicContact CG2-CB 4.01Å; V435-L453 HydrophobicContact CG2-CD2 4.39Å; R436-L453 PolarHBondContact N-O 3.03Å
454	F	93.1	Very high	86	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.8	-168	-154.5	-82.9	0	0	0	112	F402 V403 L404 L405 R436 H439 L443 T447 Y451 L456	F402-F454 HydrophobicContact CE1-CB 4.41Å; F402-F454 HydrophobicContact CE2-CB 3.66Å; F402-F454 HydrophobicContact CE2-CD2 4.33Å; F402-F454 HydrophobicContact CE2-CG 4.28Å; F402-F454 HydrophobicContact CZ-CB 3.41Å; F402-F454 VanDerWaalsContact CZ-CB 3.41Å; F402-F454 HydrophobicContact CZ-CD2 4.21Å; F402-F454 AromaticContact CZ-CG 3.87Å; F402-F454 HydrophobicContact CZ-CG 3.87Å; V403-F454 PolarHBondContact O-N 2.85Å; L404-F454 WeakPolarHBondContact CA-O 3.34Å; L404-F454 HydrophobicContact CD1-CB 3.87Å; L404-F454 HydrophobicContact CD1-CD1 3.71Å; L404-F454 HydrophobicContact CD1-CG 4.21Å; L405-F454 PolarHBondContact N-O 2.82Å; R436-F454 HydrophobicContact CB-CD2 3.38Å; R436-F454 HydrophobicContact CB-CE2 3.39Å; R436-F454 HydrophobicContact CB-CG 3.98Å; R436-F454 HydrophobicContact CB-CZ 4.01Å; R436-F454 HydrophobicContact CG-CD2 4.11Å; R436-F454 HydrophobicContact CG-CE1 4.36Å; R436-F454 HydrophobicContact CG-CE2 3.64Å; R436-F454 HydrophobicContact CG-CZ 3.79Å; R436-F454 CarbonylContact O-C 3.53Å; R436-F454 WeakPolarHBondContact O-CA 3.44Å; H439-F454 HydrophobicContact CB-CE1 3.39Å; H439-F454 HydrophobicContact CB-CZ 3.61Å; H439-F454 AromaticContact CD2-CE1 3.96Å; H439-F454 AromaticContact CG-CE1 3.86Å; H439-F454 AromaticContact CG-CZ 3.8Å; L443-F454 HydrophobicContact CD2-CD1 4.03Å; L443-F454 HydrophobicContact CD2-CE1 3.36Å; L443-F454 HydrophobicContact CD2-CE2 4.48Å; L443-F454 HydrophobicContact CD2-CZ 3.64Å; T447-F454 HydrophobicContact CG2-CD2 3.74Å; T447-F454 HydrophobicContact CG2-CE2 3.28Å; T447-F454 HydrophobicContact CG2-CZ 3.78Å; Y451-F454 HydrophobicContact CD1-CD2 4.27Å; Y451-F454 AromaticContact CD2-CD2 3.99Å; Y451-F454 HydrophobicContact CD2-CD2 3.99Å; Y451-F454 AromaticContact CD2-CE2 3.82Å; Y451-F454 HydrophobicContact CD2-CE2 3.82Å; Y451-F454 HydrophobicContact CE2-CE2 4.13Å; Y451-F454 AromaticContact CG-CD2 3.77Å; Y451-F454 HydrophobicContact CG-CD2 3.77Å; Y451-F454 HydrophobicContact CG-CE2 4.04Å; F454-L456 HydrophobicContact CD1-CB 4.5Å
455	G	94.3	Very high	86.4	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.4	171	0	0	0	0	0	111.4	L405 R436 W438 H439	L405-G455 CarbonylContact O-C 3.57Å; L405-G455 VanDerWaalsContact O-CA 3.29Å; L405-G455 WeakPolarHBondContact O-CA 3.49Å; R436-G455 PolarHBondContact O-N 2.81Å; W438-G455 CarbonylContact C-O 3.51Å; W438-G455 WeakPolarHBondContact CA-O 3.39Å; H439-G455 PolarHBondContact N-O 2.82Å
456	L	94.7	Very high	87.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.9	-176.7	177.9	72.5	0	0	0	112.6	L404 L405 F406 S407 G441 L443 F454 V458 I464 F467	L404-L456 HydrophobicContact CD1-CB 3.79Å; L404-L456 HydrophobicContact CD1-CD2 4.42Å; L404-L456 HydrophobicContact CD2-CD2 4.18Å; L405-L456 PolarHBondContact O-N 3.11Å; F406-L456 WeakPolarHBondContact CA-O 3.37Å; F406-L456 HydrophobicContact CB-CB 4.04Å; F406-L456 WeakPolarHBondContact CB-O 2.94Å; S407-L456 PolarHBondContact N-O 3.44Å; G441-L456 WeakPolarHBondContact O-CD1 3.39Å; L443-L456 HydrophobicContact CD1-CD2 3.98Å; L443-L456 HydrophobicContact CD2-CD1 4.31Å; L443-L456 HydrophobicContact CG-CD1 4.31Å; L443-L456 HydrophobicContact CG-CD2 4.44Å; F454-L456 HydrophobicContact CD1-CB 4.5Å; L456-V458 HydrophobicContact CD2-CG2 3.76Å; L456-V458 HydrophobicContact CG-CG2 4Å; L456-I464 HydrophobicContact CD2-CD1 3.82Å; L456-F467 HydrophobicContact CD2-CB 3.94Å; L456-F467 HydrophobicContact CD2-CG 4.4Å
457	H	95	Very high	87.8	Confident	37 Å²	37	43.4 Å²	43.4	17%	0.171	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.2	167.9	-179	-131.5	0	0	0	111.2	S407 E409 W438 H439 E440	S407-H457 WeakPolarHBondContact O-CA 3.32Å; E409-H457 PolarHBondContact N-CD2 3.49Å; E409-H457 PolarHBondContact N-NE2 3.23Å; E409-H457 VanDerWaalsContact N-NE2 3.18Å; E409-H457 IonicContact OE2-CD2 3.44Å; E409-H457 IonicContact OE2-CG 3.3Å; W438-H457 HydrophobicContact CH2-CB 4.03Å; W438-H457 HydrophobicContact CZ2-CB 3.42Å; W438-H457 VanDerWaalsContact CZ2-CB 3.42Å; W438-H457 AromaticContact CZ2-CD2 3.74Å; W438-H457 AromaticContact CZ2-CG 3.82Å; H439-H457 WeakPolarHBondContact O-CB 3.33Å; H439-H457 PolarHBondContact O-N 3.43Å; E440-H457 HydrophobicContact CG-CB 3.81Å
458	V	94.3	Very high	88.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.012	24%	0.244	C	C	.	.			trans	-127	110.1	172.4	179.2	0	0	0	0	109	F406 S407 N408 L456 I464 F467 N482	F406-V458 HydrophobicContact CB-CB 4.46Å; F406-V458 HydrophobicContact CB-CG2 3.77Å; F406-V458 HydrophobicContact CD2-CB 3.93Å; F406-V458 HydrophobicContact CD2-CG1 4.39Å; F406-V458 HydrophobicContact CD2-CG2 3.76Å; F406-V458 HydrophobicContact CG-CG2 4Å; S407-V458 CarbonylContact C-O 3.51Å; S407-V458 PolarHBondContact O-N 2.87Å; N408-V458 VanDerWaalsContact CA-O 3.28Å; N408-V458 WeakPolarHBondContact CA-O 3.5Å; N408-V458 PolarHBondContact N-O 2.89Å; L456-V458 HydrophobicContact CD2-CG2 3.76Å; L456-V458 HydrophobicContact CG-CG2 4Å; V458-I464 HydrophobicContact CG2-CD1 3.78Å; V458-F467 HydrophobicContact CB-CE2 4.46Å; V458-F467 HydrophobicContact CG1-CD2 4.22Å; V458-F467 HydrophobicContact CG1-CE2 3.95Å; V458-F467 HydrophobicContact CG2-CD2 4.06Å; V458-F467 HydrophobicContact CG2-CE2 4.31Å; V458-F467 HydrophobicContact CG2-CG 4.47Å; V458-N482 PolarHBondContact O-ND2 3.33Å
459	P	92.1	Very high	88.6	Confident	38 Å²	38	44.8 Å²	44.8	25%	0.247	26%	0.257	C	S	.	.			trans	-59.5	146	176.7	-21.6	31.9	0	0	0	111.6	S461 S462 F467	P459-S461 PolarHBondContact O-N 3.42Å; P459-S462 PolarHBondContact O-N 3.48Å; P459-S462 VanDerWaalsContact O-O 3.14Å; P459-F467 HydrophobicContact CG-CZ 4.43Å
460	K	87.8	Confident	89	Confident	163 Å²	163	50.6 Å²	50.6	71%	0.709	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.5	177.5	-73.7	-175.1	169.5	177.2	0	114.1	N408 S462	N408-K460 HydrophobicContact CB-CG 4.09Å; N408-K460 VanDerWaalsContact ND2-CE 3.28Å; N408-K460 WeakPolarHBondContact ND2-CE 3.5Å; K460-S462 VanDerWaalsContact C-N 3.29Å
461	S	88.6	Confident	89.3	Confident	114 Å²	114	52.8 Å²	52.8	80%	0.797	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.3	178.3	55	0	0	0	0	113.8	P459	P459-S461 PolarHBondContact O-N 3.42Å
462	S	90.2	Very high	89.2	Confident	39 Å²	39	51.5 Å²	51.5	27%	0.273	29%	0.29	S	S	.	.	S	Bend	trans	-125.1	156.1	-175.8	-67.9	0	0	0	0	111.2	P459 K460	P459-S462 PolarHBondContact O-N 3.48Å; P459-S462 VanDerWaalsContact O-O 3.14Å; K460-S462 VanDerWaalsContact C-N 3.29Å
463	T	88.8	Confident	89	Confident	95 Å²	95	52.2 Å²	52.2	58%	0.583	30%	0.3	S	S	*	.			trans	-100.2	160	172.6	58.9	0	0	0	0	110.3	G465 N466 F467	T463-G465 PolarHBondContact O-N 3.11Å; T463-N466 WeakPolarHBondContact O-CB 3.47Å; T463-N466 PolarHBondContact O-N 3.39Å; T463-F467 WeakPolarHBondContact O-CD2 3.45Å
464	I	89.6	Confident	88.7	Confident	39 Å²	39	54.5 Å²	54.5	20%	0.2	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-59	-28.3	179.7	-167.7	64.1	0	0	0	113.1	L404 F406 L456 V458 N466 F467 I468 L478	L404-I464 HydrophobicContact CD2-CD1 4.11Å; F406-I464 HydrophobicContact CB-CD1 4.42Å; F406-I464 HydrophobicContact CD1-CD1 3.74Å; F406-I464 HydrophobicContact CD1-CG1 4.35Å; F406-I464 HydrophobicContact CD2-CD1 4.1Å; F406-I464 HydrophobicContact CE1-CB 4.45Å; F406-I464 HydrophobicContact CE1-CD1 3.9Å; F406-I464 HydrophobicContact CE1-CG1 4.01Å; F406-I464 HydrophobicContact CE2-CB 4.29Å; F406-I464 HydrophobicContact CE2-CD1 4.24Å; F406-I464 HydrophobicContact CG-CD1 3.83Å; F406-I464 HydrophobicContact CZ-CB 4.03Å; F406-I464 HydrophobicContact CZ-CD1 4.14Å; F406-I464 HydrophobicContact CZ-CG1 4.1Å; L456-I464 HydrophobicContact CD2-CD1 3.82Å; V458-I464 HydrophobicContact CG2-CD1 3.78Å; I464-N466 PolarHBondContact O-N 3Å; I464-N466 VanDerWaalsContact O-N 3.16Å; I464-F467 PolarHBondContact O-N 3.49Å; I464-I468 HydrophobicContact CD1-CD1 3.82Å; I464-I468 HydrophobicContact CD1-CG1 4.29Å; I464-I468 HydrophobicContact CG1-CD1 3.57Å; I464-I468 HydrophobicContact CG1-CG1 4.2Å; I464-I468 PolarHBondContact O-N 3.41Å; I464-I468 VanDerWaalsContact O-N 3.17Å; I464-L478 HydrophobicContact CG1-CD2 4.38Å
465	G	88.5	Confident	88.2	Confident	38 Å²	38	57.2 Å²	57.2	39%	0.392	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.5	176.2	0	0	0	0	0	113.8	T463 F467 I468	T463-G465 PolarHBondContact O-N 3.11Å; G465-F467 PolarHBondContact O-N 2.85Å; G465-I468 VanDerWaalsContact O-O 3.06Å
466	N	89.5	Confident	88	Confident	74 Å²	74	57.2 Å²	57.2	40%	0.396	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-74.1	-14.3	171.9	-69.2	-15.6	0	0	0	112.9	R442 T463 I464	R442-N466 WeakPolarHBondContact CG-O 3.47Å; R442-N466 PolarHBondContact NE-O 3.47Å; R442-N466 PolarHBondContact NH2-O 3.32Å; T463-N466 WeakPolarHBondContact O-CB 3.47Å; T463-N466 PolarHBondContact O-N 3.39Å; I464-N466 PolarHBondContact O-N 3Å; I464-N466 VanDerWaalsContact O-N 3.16Å
467	F	91.2	Very high	88	Confident	30 Å²	30	57.2 Å²	57.2	13%	0.132	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-17.6	-173.2	-61.9	-88.3	0	0	0	113.6	G441 L443 L456 V458 P459 T463 I464 G465	G441-F467 WeakPolarHBondContact O-CD1 3.38Å; L443-F467 PolarHBondContact N-O 3.49Å; L456-F467 HydrophobicContact CD2-CB 3.94Å; L456-F467 HydrophobicContact CD2-CG 4.4Å; V458-F467 HydrophobicContact CB-CE2 4.46Å; V458-F467 HydrophobicContact CG1-CD2 4.22Å; V458-F467 HydrophobicContact CG1-CE2 3.95Å; V458-F467 HydrophobicContact CG2-CD2 4.06Å; V458-F467 HydrophobicContact CG2-CE2 4.31Å; V458-F467 HydrophobicContact CG2-CG 4.47Å; P459-F467 HydrophobicContact CG-CZ 4.43Å; T463-F467 WeakPolarHBondContact O-CD2 3.45Å; I464-F467 PolarHBondContact O-N 3.49Å; G465-F467 PolarHBondContact O-N 2.85Å
468	I	88.7	Confident	87.9	Confident	15 Å²	15	56.7 Å²	56.7	8%	0.077	33%	0.325	C	S	.	.	S	Bend	trans	-134.4	140.9	-178.6	-48	174	0	0	0	108.7	L404 L443 I464 G465 M472 I476 L478	L404-I468 HydrophobicContact CD2-CD1 3.22Å; L404-I468 HydrophobicContact CD2-CG1 4.22Å; L443-I468 HydrophobicContact CD1-CD1 4.32Å; L443-I468 HydrophobicContact CD1-CG1 3.9Å; I464-I468 HydrophobicContact CD1-CD1 3.82Å; I464-I468 HydrophobicContact CD1-CG1 4.29Å; I464-I468 HydrophobicContact CG1-CD1 3.57Å; I464-I468 HydrophobicContact CG1-CG1 4.2Å; I464-I468 PolarHBondContact O-N 3.41Å; I464-I468 VanDerWaalsContact O-N 3.17Å; G465-I468 VanDerWaalsContact O-O 3.06Å; I468-M472 HydrophobicContact CG2-CB 3.9Å; I468-M472 HydrophobicContact CG2-SD 4.37Å; I468-I476 HydrophobicContact CD1-CD1 4.3Å; I468-I476 HydrophobicContact CG2-CD1 3.83Å; I468-L478 HydrophobicContact CD1-CD2 4.06Å
469	A	84.5	Confident	87.9	Confident	44 Å²	44	56.6 Å²	56.6	36%	0.364	32%	0.324	S	S	.	.			trans	-67.5	139	172.6	0	0	0	0	0	111.4	N471 M472	A469-N471 WeakPolarHBondContact CB-OD1 3.48Å; A469-N471 PolarHBondContact O-N 3.44Å; A469-M472 HydrophobicContact CB-CE 3.82Å; A469-M472 HydrophobicContact CB-CG 4.25Å; A469-M472 WeakPolarHBondContact O-CB 3.47Å; A469-M472 PolarHBondContact O-N 3.42Å
470	E	81.8	Confident	87.9	Confident	171 Å²	171	55.9 Å²	55.9	80%	0.799	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.3	-174.1	-66.4	-175.9	164.8	0	0	113.4	M472 A473	E470-M472 PolarHBondContact O-N 2.93Å; E470-A473 PolarHBondContact O-N 3.41Å
471	N	81.8	Confident	88	Confident	117 Å²	117	49 Å²	49	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.9	177.1	65.3	-34.4	0	0	0	113.6	A469 F475	A469-N471 WeakPolarHBondContact CB-OD1 3.48Å; A469-N471 PolarHBondContact O-N 3.44Å; N471-F475 WeakPolarHBondContact O-CD2 3.31Å; N471-F475 WeakPolarHBondContact O-CE2 3.23Å
472	M	82.1	Confident	88	Confident	37 Å²	37	45.6 Å²	45.6	18%	0.182	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-27.6	178	-55.9	-170.4	-153	0	0	112.8	A445 I448 I468 A469 E470 P474 F475 I476	A445-M472 HydrophobicContact CB-CE 3.6Å; I448-M472 HydrophobicContact CD1-CB 4Å; I448-M472 HydrophobicContact CD1-CG 4.14Å; I448-M472 HydrophobicContact CD1-SD 3.34Å; I448-M472 WeakPolarHBondContact CD1-SD 3.38Å; I448-M472 HydrophobicContact CG1-SD 4.49Å; I468-M472 HydrophobicContact CG2-CB 3.9Å; I468-M472 HydrophobicContact CG2-SD 4.37Å; A469-M472 HydrophobicContact CB-CE 3.82Å; A469-M472 HydrophobicContact CB-CG 4.25Å; A469-M472 WeakPolarHBondContact O-CB 3.47Å; A469-M472 PolarHBondContact O-N 3.42Å; E470-M472 PolarHBondContact O-N 2.93Å; M472-P474 VanDerWaalsContact C-N 3.31Å; M472-P474 VanDerWaalsContact O-N 3.15Å; M472-F475 PolarHBondContact O-N 3.47Å; M472-I476 HydrophobicContact CB-CD1 4.01Å; M472-I476 WeakPolarHBondContact O-CG1 3.28Å
473	A	82.7	Confident	87.9	Confident	37 Å²	37	50 Å²	50	31%	0.306	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-51	-39.8	-174.6	0	0	0	0	0	114.4	E470 F475 I476 Q602	E470-A473 PolarHBondContact O-N 3.41Å; A473-F475 PolarHBondContact O-N 3.07Å; A473-I476 PolarHBondContact O-N 3.26Å; A473-Q602 PolarHBondContact O-NE2 3.4Å
474	P	83.2	Confident	87.9	Confident	49 Å²	49	48.6 Å²	48.6	32%	0.318	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64.6	-20.7	177.8	-21.9	34.2	0	0	0	114.8	M472 Y599 Q602	M472-P474 VanDerWaalsContact C-N 3.31Å; M472-P474 VanDerWaalsContact O-N 3.15Å; P474-Y599 HydrophobicContact CB-CD2 4.09Å; P474-Y599 HydrophobicContact CB-CE2 3.9Å; P474-Q602 PolarHBondContact O-NE2 3.03Å
475	F	83.5	Confident	88	Confident	62 Å²	62	50.4 Å²	50.4	27%	0.272	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-93.1	-13.2	-178.5	-56.5	-75.8	0	0	0	112.9	K401 N471 M472 A473 F597	K401-F475 WeakPolarHBondContact CE-O 3.29Å; K401-F475 WeakPolarHBondContact CG-O 3.29Å; K401-F475 PolarHBondContact NZ-O 2.88Å; N471-F475 WeakPolarHBondContact O-CD2 3.31Å; N471-F475 WeakPolarHBondContact O-CE2 3.23Å; M472-F475 PolarHBondContact O-N 3.47Å; A473-F475 PolarHBondContact O-N 3.07Å; F475-F597 HydrophobicContact CB-CD1 4.26Å; F475-F597 HydrophobicContact CD1-CB 4.42Å; F475-F597 AromaticContact CD1-CD1 3.92Å; F475-F597 HydrophobicContact CD1-CD1 3.92Å; F475-F597 HydrophobicContact CD2-CD1 4.49Å; F475-F597 HydrophobicContact CE1-CD1 4.4Å; F475-F597 AromaticContact CG-CD1 3.96Å; F475-F597 HydrophobicContact CG-CD1 3.96Å
476	I	90.1	Very high	88.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.255	C	S	.	.	S	Bend	trans	-105.7	133.5	-173.7	-56.9	173.3	0	0	0	110.2	F402 L404 I448 I468 M472 A473 L478 Q602	F402-I476 HydrophobicContact CD1-CB 4.25Å; F402-I476 HydrophobicContact CD1-CD1 4.1Å; F402-I476 HydrophobicContact CD1-CG1 3.85Å; F402-I476 HydrophobicContact CD1-CG2 3.59Å; F402-I476 HydrophobicContact CE1-CD1 4.43Å; F402-I476 HydrophobicContact CE1-CG2 4.2Å; L404-I476 HydrophobicContact CB-CG2 3.84Å; I448-I476 HydrophobicContact CD1-CD1 3.66Å; I448-I476 HydrophobicContact CD1-CG1 4.03Å; I448-I476 HydrophobicContact CG1-CD1 4.38Å; I468-I476 HydrophobicContact CD1-CD1 4.3Å; I468-I476 HydrophobicContact CG2-CD1 3.83Å; M472-I476 HydrophobicContact CB-CD1 4.01Å; M472-I476 WeakPolarHBondContact O-CG1 3.28Å; A473-I476 PolarHBondContact O-N 3.26Å; I476-L478 HydrophobicContact CB-CD2 4.47Å; I476-L478 HydrophobicContact CG2-CD2 3.74Å; I476-L478 HydrophobicContact CG2-CG 4.21Å; I476-Q602 PolarHBondContact O-NE2 3.33Å; I476-Q602 PolarHBondContact O-OE1 3.42Å
477	T	93.4	Very high	88.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.8	165.1	-71.3	0	0	0	0	108.8	L393 S396 K401 F402 V403 L404 L486 S487 A488	L393-T477 HydrophobicContact CD1-CG2 4.35Å; S396-T477 WeakPolarHBondContact CB-OG1 3.36Å; S396-T477 PolarHBondContact OG-OG1 2.89Å; K401-T477 WeakPolarHBondContact CD-OG1 3.12Å; F402-T477 PolarHBondContact O-N 2.99Å; V403-T477 HydrophobicContact CG1-CG2 4.26Å; V403-T477 HydrophobicContact CG2-CG2 4.34Å; L404-T477 PolarHBondContact N-O 3.44Å; T477-L486 HydrophobicContact CG2-CD1 3.96Å; T477-S487 CarbonylContact C-O 3.57Å; T477-S487 WeakPolarHBondContact CA-O 3.41Å; T477-A488 HydrophobicContact CG2-CB 3.73Å
478	L	93.9	Very high	88.4	Confident	26 Å²	26	44.8 Å²	44.8	14%	0.136	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.6	-176.2	-65.7	172.5	0	0	0	110.6	L404 F406 I464 I468 I476 L486 S487	L404-L478 HydrophobicContact CB-CD2 4.2Å; L404-L478 HydrophobicContact CD2-CD2 3.89Å; F406-L478 HydrophobicContact CE1-CB 4.24Å; F406-L478 HydrophobicContact CE1-CD2 4.18Å; I464-L478 HydrophobicContact CG1-CD2 4.38Å; I468-L478 HydrophobicContact CD1-CD2 4.06Å; I476-L478 HydrophobicContact CB-CD2 4.47Å; I476-L478 HydrophobicContact CG2-CD2 3.74Å; I476-L478 HydrophobicContact CG2-CG 4.21Å; L478-L486 CarbonylContact O-C 3.57Å; L478-L486 WeakPolarHBondContact O-CA 3.05Å; L478-S487 PolarHBondContact N-O 3.01Å; L478-S487 PolarHBondContact O-N 2.78Å
479	V	93.5	Very high	88.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	100.1	174.1	-170.9	0	0	0	0	108	L393 V403 L404 L405 F406 L481 L486 L607	L393-V479 HydrophobicContact CD1-CG2 3.78Å; V403-V479 HydrophobicContact CG1-CG2 4.2Å; L404-V479 PolarHBondContact O-N 3.49Å; L405-V479 HydrophobicContact CB-CB 4.44Å; L405-V479 HydrophobicContact CD2-CG1 4.36Å; L405-V479 HydrophobicContact CG-CB 3.9Å; L405-V479 HydrophobicContact CG-CG1 4.26Å; L405-V479 HydrophobicContact CG-CG2 4.07Å; F406-V479 WeakPolarHBondContact CD1-O 3.19Å; F406-V479 PolarHBondContact N-O 3.48Å; V479-L481 HydrophobicContact CG1-CD2 4.12Å; V479-L481 HydrophobicContact CG1-CG 4.4Å; V479-L481 PolarHBondContact O-N 2.8Å; V479-L486 HydrophobicContact CG2-CD1 3.8Å; V479-L607 HydrophobicContact CG1-CD1 3.76Å
480	D	92.2	Very high	88.8	Confident	22 Å²	22	45.8 Å²	45.8	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	102.4	176.4	-170.3	-23	0	0	0	109.5	F406 N482 Q483 N484 F485	F406-D480 HydrophobicContact CE1-CB 4.09Å; F406-D480 HydrophobicContact CE2-CB 3.71Å; F406-D480 WeakPolarHBondContact CE2-OD2 3.43Å; F406-D480 HydrophobicContact CZ-CB 3.4Å; D480-N482 VanDerWaalsContact C-N 3.34Å; D480-N482 VanDerWaalsContact OD1-CA 3.31Å; D480-N482 WeakPolarHBondContact OD1-CA 3.43Å; D480-N482 VanDerWaalsContact OD1-CB 3.24Å; D480-N482 WeakPolarHBondContact OD1-CB 3.42Å; D480-N482 PolarHBondContact OD1-N 3.25Å; D480-Q483 PolarHBondContact OD1-N 3.3Å; D480-Q483 WeakPolarHBondContact OD2-CG 3.24Å; D480-N484 CarbonylContact O-C 3.58Å; D480-N484 WeakPolarHBondContact O-CA 3.48Å; D480-N484 PolarHBondContact O-N 3.03Å; D480-F485 PolarHBondContact N-O 3.27Å; D480-F485 PolarHBondContact O-N 3Å
481	L	90.1	Very high	89.3	Confident	19 Å²	19	38.8 Å²	38.8	10%	0.099	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.1	174.7	-62.9	175.7	0	0	0	112.5	F406 R411 V415 F418 V479 N484	F406-L481 PolarHBondContact O-N 3.43Å; R411-L481 PolarHBondContact NH1-O 3.29Å; V415-L481 HydrophobicContact CB-CD1 4.4Å; V415-L481 HydrophobicContact CG2-CD1 3.64Å; F418-L481 HydrophobicContact CD2-CD2 4.39Å; F418-L481 HydrophobicContact CE2-CD2 4.45Å; V479-L481 HydrophobicContact CG1-CD2 4.12Å; V479-L481 HydrophobicContact CG1-CG 4.4Å; V479-L481 PolarHBondContact O-N 2.8Å; L481-N484 PolarHBondContact O-OD1 3.39Å
482	N	88.9	Confident	89.8	Confident	42 Å²	42	36.6 Å²	36.6	23%	0.225	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-41.2	170.9	-68.7	-46.4	0	0	0	110.8	S407 N408 V458 D480	S407-N482 PolarHBondContact OG-OD1 2.98Å; S407-N482 VanDerWaalsContact OG-OD1 3.14Å; N408-N482 WeakPolarHBondContact CB-OD1 3.49Å; N408-N482 PolarHBondContact N-ND2 2.83Å; N408-N482 PolarHBondContact N-OD1 2.98Å; N408-N482 PolarHBondContact OD1-OD1 3.35Å; V458-N482 PolarHBondContact O-ND2 3.33Å; D480-N482 VanDerWaalsContact C-N 3.34Å; D480-N482 VanDerWaalsContact OD1-CA 3.31Å; D480-N482 WeakPolarHBondContact OD1-CA 3.43Å; D480-N482 VanDerWaalsContact OD1-CB 3.24Å; D480-N482 WeakPolarHBondContact OD1-CB 3.42Å; D480-N482 PolarHBondContact OD1-N 3.25Å
483	Q	88.5	Confident	90.3	Very high	131 Å²	131	35.2 Å²	35.2	61%	0.612	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	-5.5	-176.9	-55.9	-174.4	14.2	0	0	114	D480 F485	D480-Q483 PolarHBondContact OD1-N 3.3Å; D480-Q483 WeakPolarHBondContact OD2-CG 3.24Å; Q483-F485 HydrophobicContact CB-CD2 3.72Å; Q483-F485 HydrophobicContact CB-CE2 4.3Å; Q483-F485 WeakPolarHBondContact O-CD2 3.32Å; Q483-F485 WeakPolarHBondContact O-CE2 3.21Å
484	N	88.2	Confident	90.7	Very high	67 Å²	67	37 Å²	37	36%	0.358	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	54.6	-172.7	-67.4	-7.1	0	0	0	112.2	D480 L481 L607	D480-N484 CarbonylContact O-C 3.58Å; D480-N484 WeakPolarHBondContact O-CA 3.48Å; D480-N484 PolarHBondContact O-N 3.03Å; L481-N484 PolarHBondContact O-OD1 3.39Å; N484-L607 HydrophobicContact CB-CB 4.21Å; N484-L607 PolarHBondContact O-N 2.93Å
485	F	91.2	Very high	91	Very high	76 Å²	76	35.2 Å²	35.2	33%	0.333	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.1	172.8	-75.5	-82.4	0	0	0	111.8	D480 Q483 V604 L605 K606 L607	D480-F485 PolarHBondContact N-O 3.27Å; D480-F485 PolarHBondContact O-N 3Å; Q483-F485 HydrophobicContact CB-CD2 3.72Å; Q483-F485 HydrophobicContact CB-CE2 4.3Å; Q483-F485 WeakPolarHBondContact O-CD2 3.32Å; Q483-F485 WeakPolarHBondContact O-CE2 3.21Å; F485-V604 HydrophobicContact CB-CG1 4.44Å; F485-V604 HydrophobicContact CD1-CG1 3.88Å; F485-V604 HydrophobicContact CG-CG1 4.43Å; F485-L605 CarbonylContact C-O 3.6Å; F485-L605 WeakPolarHBondContact CA-O 3.48Å; F485-L605 WeakPolarHBondContact CD1-O 3.25Å; F485-K606 HydrophobicContact CD1-CB 4.26Å; F485-K606 HydrophobicContact CE1-CB 3.98Å; F485-K606 HydrophobicContact CE1-CG 4.15Å; F485-K606 HydrophobicContact CZ-CG 4.44Å; F485-L607 WeakPolarHBondContact O-CD1 3.43Å
486	L	92.3	Very high	91.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.9	174.8	171	68.1	0	0	0	108.3	R389 T392 L393 T477 L478 V479 A488 V604 L605 L607	R389-L486 HydrophobicContact CB-CD2 3.98Å; T392-L486 HydrophobicContact CG2-CD2 4.23Å; L393-L486 HydrophobicContact CD1-CD1 4.17Å; T477-L486 HydrophobicContact CG2-CD1 3.96Å; L478-L486 CarbonylContact O-C 3.57Å; L478-L486 WeakPolarHBondContact O-CA 3.05Å; V479-L486 HydrophobicContact CG2-CD1 3.8Å; L486-A488 HydrophobicContact CD1-CB 3.83Å; L486-A488 HydrophobicContact CD2-CB 4.17Å; L486-A488 HydrophobicContact CG-CB 3.81Å; L486-V604 CarbonylContact O-C 3.51Å; L486-V604 WeakPolarHBondContact O-CA 3.46Å; L486-L605 PolarHBondContact N-O 2.71Å; L486-L605 PolarHBondContact O-N 3.26Å; L486-L607 HydrophobicContact CB-CD1 4.16Å; L486-L607 HydrophobicContact CB-CD2 4.2Å; L486-L607 HydrophobicContact CB-CG 3.93Å
487	S	93.1	Very high	91.3	Very high	24 Å²	24	35 Å²	35	17%	0.168	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	108	166	-170.7	0	0	0	0	108.5	T477 L478 Q602 K603	T477-S487 CarbonylContact C-O 3.57Å; T477-S487 WeakPolarHBondContact CA-O 3.41Å; L478-S487 PolarHBondContact N-O 3.01Å; L478-S487 PolarHBondContact O-N 2.78Å; S487-Q602 PolarHBondContact O-OE1 2.97Å; S487-Q602 PolarHBondContact OG-OE1 3.22Å; S487-K603 WeakPolarHBondContact CA-O 3.23Å
488	A	92.7	Very high	90.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.3	-174	0	0	0	0	0	111.5	T392 T477 L486 K603	T392-A488 HydrophobicContact CG2-CB 3.74Å; T477-A488 HydrophobicContact CG2-CB 3.73Å; L486-A488 HydrophobicContact CD1-CB 3.83Å; L486-A488 HydrophobicContact CD2-CB 4.17Å; L486-A488 HydrophobicContact CG-CB 3.81Å; A488-K603 PolarHBondContact N-O 3.37Å; A488-K603 PolarHBondContact O-N 3.15Å
489	P	91.3	Very high	90.4	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137.4	167.8	28.6	-33.9	0	0	0	110.7	T392 Y395 K401 E600	T392-P489 WeakPolarHBondContact CG2-O 3.41Å; Y395-P489 HydrophobicContact CD1-CG 4.15Å; Y395-P489 HydrophobicContact CE1-CB 4.07Å; Y395-P489 HydrophobicContact CE1-CG 3.91Å; K401-P489 HydrophobicContact CD-CG 4.23Å; P489-E600 HydrophobicContact CB-CB 3.85Å; P489-E600 WeakPolarHBondContact CB-OE2 3.29Å
490	E	90	Very high	89.9	Confident	77 Å²	77	45.3 Å²	45.3	36%	0.36	24%	0.243	S	C	.	.			trans	-71.3	142.5	177	-92.9	-173.2	177.3	0	0	112.4	K603	E490-K603 VanDerWaalsContact CD-CD 3.43Å; E490-K603 VanDerWaalsContact CD-CE 3.45Å; E490-K603 HydrophobicContact CG-CD 3.94Å; E490-K603 HydrophobicContact CG-CG 4.46Å; E490-K603 VanDerWaalsContact OE1-CD 3.22Å; E490-K603 WeakPolarHBondContact OE1-CD 3.27Å; E490-K603 IonicContact OE1-NZ 2.94Å; E490-K603 PolarHBondContact OE1-NZ 3.02Å; E490-K603 VanDerWaalsContact OE2-CE 3.23Å; E490-K603 WeakPolarHBondContact OE2-CE 3.24Å; E490-K603 IonicContact OE2-NZ 2.65Å; E490-K603 PolarHBondContact OE2-NZ 3.27Å
491	Y	92.6	Very high	89.6	Confident	24 Å²	24	49 Å²	49	9%	0.094	26%	0.262	C	S	.	.			trans	-105	134.9	173.2	178	-93.7	0	0	0	111.2	T391 Y395 G493 S494 I495 L496 H561 D562 I565	T391-Y491 HydrophobicContact CG2-CD1 3.27Å; T391-Y491 HydrophobicContact CG2-CE1 3.93Å; T391-Y491 HydrophobicContact CG2-CG 4Å; Y395-Y491 HydrophobicContact CD1-CD2 4.32Å; Y395-Y491 AromaticContact CD2-CD2 3.42Å; Y395-Y491 HydrophobicContact CD2-CD2 3.42Å; Y395-Y491 VanDerWaalsContact CD2-CD2 3.42Å; Y395-Y491 HydrophobicContact CD2-CE2 4.04Å; Y395-Y491 HydrophobicContact CD2-CG 4.38Å; Y395-Y491 AromaticContact CE2-CD2 3.99Å; Y395-Y491 HydrophobicContact CE2-CD2 3.99Å; Y395-Y491 AromaticContact CG-CD2 3.6Å; Y395-Y491 HydrophobicContact CG-CD2 3.6Å; Y395-Y491 HydrophobicContact CG-CG 4.13Å; Y491-G493 VanDerWaalsContact CE1-C 3.49Å; Y491-G493 VanDerWaalsContact CE1-N 3.35Å; Y491-G493 WeakPolarHBondContact CE1-O 3.35Å; Y491-G493 WeakPolarHBondContact OH-CA 3.32Å; Y491-G493 PolarHBondContact OH-O 3Å; Y491-S494 PolarHBondContact OH-N 2.86Å; Y491-I495 WeakPolarHBondContact OH-CA 3.25Å; Y491-I495 WeakPolarHBondContact OH-CB 3.42Å; Y491-I495 PolarHBondContact OH-N 3.37Å; Y491-L496 HydrophobicContact CD1-CB 4.08Å; Y491-L496 HydrophobicContact CD2-CD1 4.37Å; Y491-L496 HydrophobicContact CE1-CB 3.5Å; Y491-L496 VanDerWaalsContact CE1-CB 3.5Å; Y491-L496 HydrophobicContact CE1-CD1 4.35Å; Y491-L496 HydrophobicContact CE1-CG 4.15Å; Y491-L496 HydrophobicContact CE2-CD1 4.22Å; Y491-L496 HydrophobicContact CE2-CG 4.43Å; Y491-L496 HydrophobicContact CG-CD1 4.47Å; Y491-L496 PolarHBondContact OH-N 3.28Å; Y491-H561 HydrophobicContact CD2-CB 3.65Å; Y491-H561 HydrophobicContact CE2-CB 3.73Å; Y491-D562 WeakPolarHBondContact CE2-OD1 3.31Å; Y491-D562 PolarHBondContact OH-OD1 3.15Å; Y491-I565 HydrophobicContact CE2-CD1 4.16Å
492	S	92.5	Very high	89.4	Confident	72 Å²	72	48.8 Å²	48.8	50%	0.503	26%	0.262	S	S	.	.			trans	-136.2	13.2	177.9	73.3	0	0	0	0	113.5	H559 H561	S492-H559 PolarHBondContact OG-CE1 3.22Å; S492-H559 PolarHBondContact OG-NE2 2.77Å; S492-H561 PolarHBondContact N-ND1 3.05Å; S492-H561 PolarHBondContact OG-CE1 2.84Å; S492-H561 PolarHBondContact OG-ND1 2.91Å
493	G	92.5	Very high	89.1	Confident	7 Å²	7	47.1 Å²	47.1	7%	0.072	25%	0.253	C	S	.	.	S	Bend	trans	-77.5	-178.2	177.2	0	0	0	0	0	112.8	Y491 A497 H559 D562	Y491-G493 VanDerWaalsContact CE1-C 3.49Å; Y491-G493 VanDerWaalsContact CE1-N 3.35Å; Y491-G493 WeakPolarHBondContact CE1-O 3.35Å; Y491-G493 WeakPolarHBondContact OH-CA 3.32Å; Y491-G493 PolarHBondContact OH-O 3Å; G493-A497 WeakPolarHBondContact O-CB 3.42Å; G493-H559 WeakPolarHBondContact CA-ND1 3.32Å; G493-D562 WeakPolarHBondContact CA-OD1 3.5Å
494	S	90.7	Very high	88.8	Confident	75 Å²	75	49.5 Å²	49.5	52%	0.524	26%	0.262	S	S	.	.	S	Bend	trans	-93	-32.4	-176.5	65	0	0	0	0	113.9	Y491 L496 A497 D562	Y491-S494 PolarHBondContact OH-N 2.86Å; S494-L496 VanDerWaalsContact C-N 3.3Å; S494-L496 PolarHBondContact O-N 3.28Å; S494-A497 WeakPolarHBondContact O-CB 3.33Å; S494-A497 PolarHBondContact O-N 2.95Å; S494-D562 PolarHBondContact N-OD1 3.47Å; S494-D562 PolarHBondContact N-OD2 2.88Å; S494-D562 PolarHBondContact OG-OD2 2.99Å
495	I	89.8	Confident	88.6	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.062	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-47.5	-177.2	-62.7	176.8	0	0	0	111.7	Y491 L520 Y523 D562 I565	Y491-I495 WeakPolarHBondContact OH-CA 3.25Å; Y491-I495 WeakPolarHBondContact OH-CB 3.42Å; Y491-I495 PolarHBondContact OH-N 3.37Å; I495-L520 HydrophobicContact CG2-CD2 4.13Å; I495-Y523 HydrophobicContact CB-CE2 4.28Å; I495-Y523 HydrophobicContact CD1-CD1 3.66Å; I495-Y523 HydrophobicContact CD1-CD2 4.27Å; I495-Y523 HydrophobicContact CD1-CE1 3.83Å; I495-Y523 HydrophobicContact CD1-CE2 4.42Å; I495-Y523 HydrophobicContact CD1-CG 3.89Å; I495-Y523 HydrophobicContact CG1-CD1 3.95Å; I495-Y523 HydrophobicContact CG1-CD2 4.25Å; I495-Y523 HydrophobicContact CG1-CE1 3.59Å; I495-Y523 HydrophobicContact CG1-CE2 3.92Å; I495-Y523 HydrophobicContact CG1-CG 4.27Å; I495-Y523 HydrophobicContact CG2-CD2 3.9Å; I495-Y523 HydrophobicContact CG2-CE2 3.75Å; I495-D562 HydrophobicContact CD1-CB 3.6Å; I495-D562 HydrophobicContact CG1-CB 3.94Å; I495-D562 VanDerWaalsContact CG1-CG 3.48Å; I495-D562 WeakPolarHBondContact CG1-OD1 3.36Å; I495-D562 PolarHBondContact N-OD1 2.91Å; I495-I565 HydrophobicContact CD1-CD1 4.3Å
496	L	91.1	Very high	88	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	6.6	-175.8	-48.7	172.5	0	0	0	112.8	T391 L394 L398 Y491 S494 R498 L499 M516 L520 I565	T391-L496 HydrophobicContact CG2-CB 3.7Å; T391-L496 PolarHBondContact OG1-O 3.29Å; L394-L496 HydrophobicContact CB-CD1 4.26Å; L398-L496 HydrophobicContact CD1-CD1 4.13Å; L398-L496 HydrophobicContact CD1-CD2 3.91Å; Y491-L496 HydrophobicContact CD1-CB 4.08Å; Y491-L496 HydrophobicContact CD2-CD1 4.37Å; Y491-L496 HydrophobicContact CE1-CB 3.5Å; Y491-L496 VanDerWaalsContact CE1-CB 3.5Å; Y491-L496 HydrophobicContact CE1-CD1 4.35Å; Y491-L496 HydrophobicContact CE1-CG 4.15Å; Y491-L496 HydrophobicContact CE2-CD1 4.22Å; Y491-L496 HydrophobicContact CE2-CG 4.43Å; Y491-L496 HydrophobicContact CG-CD1 4.47Å; Y491-L496 PolarHBondContact OH-N 3.28Å; S494-L496 VanDerWaalsContact C-N 3.3Å; S494-L496 PolarHBondContact O-N 3.28Å; L496-R498 PolarHBondContact O-N 2.64Å; L496-L499 HydrophobicContact CB-CD1 4.28Å; L496-L499 HydrophobicContact CD2-CD1 3.77Å; L496-L499 WeakPolarHBondContact O-CB 3.13Å; L496-L499 PolarHBondContact O-N 3.08Å; L496-M516 HydrophobicContact CD2-CE 4.49Å; L496-L520 HydrophobicContact CD2-CD2 4.46Å; L496-I565 HydrophobicContact CD1-CD1 4.4Å
497	A	88.6	Confident	87.1	Confident	58 Å²	58	60.4 Å²	60.4	48%	0.479	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-38.3	-175.7	0	0	0	0	0	112.8	G493 S494 L499 P500	G493-A497 WeakPolarHBondContact O-CB 3.42Å; S494-A497 WeakPolarHBondContact O-CB 3.33Å; S494-A497 PolarHBondContact O-N 2.95Å; A497-L499 VanDerWaalsContact C-N 3.25Å; A497-L499 PolarHBondContact O-N 2.77Å; A497-P500 WeakPolarHBondContact O-CD 3.03Å
498	R	85.2	Confident	86.2	Confident	177 Å²	177	60.6 Å²	60.6	67%	0.668	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.2	-179.1	-60	-168.7	73.4	-172.2	2.8	113.3	L496 I501 V502	L496-R498 PolarHBondContact O-N 2.64Å; R498-I501 PolarHBondContact O-N 3.07Å; R498-I501 VanDerWaalsContact O-N 3.15Å; R498-V502 WeakPolarHBondContact O-CG2 3.47Å; R498-V502 PolarHBondContact O-N 3.03Å; R498-V502 VanDerWaalsContact O-N 3.08Å
499	L	84.3	Confident	85.4	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-44.8	-169.9	-160.1	134.8	0	0	0	113.7	L390 L394 L496 A497 I501 V502 A503 F512 M516	L390-L499 HydrophobicContact CB-CD2 4.01Å; L390-L499 HydrophobicContact CD2-CD2 3.33Å; L390-L499 HydrophobicContact CG-CD2 3.54Å; L394-L499 HydrophobicContact CD1-CD1 3.71Å; L394-L499 HydrophobicContact CD1-CD2 3.88Å; L394-L499 HydrophobicContact CD1-CG 4.47Å; L496-L499 HydrophobicContact CB-CD1 4.28Å; L496-L499 HydrophobicContact CD2-CD1 3.77Å; L496-L499 WeakPolarHBondContact O-CB 3.13Å; L496-L499 PolarHBondContact O-N 3.08Å; A497-L499 VanDerWaalsContact C-N 3.25Å; A497-L499 PolarHBondContact O-N 2.77Å; L499-I501 VanDerWaalsContact C-N 3.26Å; L499-I501 PolarHBondContact O-N 3.06Å; L499-V502 PolarHBondContact O-N 2.77Å; L499-A503 VanDerWaalsContact O-CB 3.29Å; L499-A503 WeakPolarHBondContact O-CB 3.47Å; L499-A503 PolarHBondContact O-N 3.37Å; L499-F512 HydrophobicContact CD2-CZ 4.16Å; L499-F512 HydrophobicContact CG-CZ 4.19Å; L499-M516 HydrophobicContact CD1-CE 3.15Å; L499-M516 HydrophobicContact CD1-CG 4.42Å; L499-M516 HydrophobicContact CD1-SD 3.39Å; L499-M516 WeakPolarHBondContact CD1-SD 3.47Å; L499-M516 HydrophobicContact CG-CE 4.22Å; L499-M516 HydrophobicContact CG-SD 3.8Å
500	P	82.8	Confident	84.4	Confident	60 Å²	60	66.1 Å²	66.1	39%	0.39	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-29.5	179.4	-20.6	34.4	0	0	0	113.3	T391 A497 K504	T391-P500 WeakPolarHBondContact OG1-CG 3.09Å; A497-P500 WeakPolarHBondContact O-CD 3.03Å; P500-K504 WeakPolarHBondContact O-CG 3.08Å
501	I	85.5	Confident	83.7	Confident	100 Å²	100	65.9 Å²	65.9	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-75.4	-42.3	178.9	-60.2	171.6	0	0	0	109.7	R498 L499	R498-I501 PolarHBondContact O-N 3.07Å; R498-I501 VanDerWaalsContact O-N 3.15Å; L499-I501 VanDerWaalsContact C-N 3.26Å; L499-I501 PolarHBondContact O-N 3.06Å
502	V	85.2	Confident	83.2	Confident	15 Å²	15	64.7 Å²	64.7	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-71.5	-44.1	-179.5	179.5	0	0	0	0	110.9	R498 L499 K504 R505 H506 Y515	R498-V502 WeakPolarHBondContact O-CG2 3.47Å; R498-V502 PolarHBondContact O-N 3.03Å; R498-V502 VanDerWaalsContact O-N 3.08Å; L499-V502 PolarHBondContact O-N 2.77Å; V502-K504 PolarHBondContact O-N 3.26Å; V502-R505 WeakPolarHBondContact O-CA 3.49Å; V502-R505 WeakPolarHBondContact O-CB 3.23Å; V502-R505 PolarHBondContact O-N 3.04Å; V502-H506 PolarHBondContact O-CD2 3.44Å; V502-H506 VanDerWaalsContact O-CD2 3.24Å; V502-H506 PolarHBondContact O-N 2.89Å; V502-Y515 HydrophobicContact CB-CE1 4.14Å; V502-Y515 HydrophobicContact CG1-CD1 3.74Å; V502-Y515 HydrophobicContact CG1-CE1 3.4Å; V502-Y515 VanDerWaalsContact CG1-CE1 3.4Å; V502-Y515 HydrophobicContact CG1-CG 4.46Å; V502-Y515 HydrophobicContact CG2-CE1 4.25Å
503	A	83.3	Confident	82.6	Confident	6 Å²	6	61.3 Å²	61.3	5%	0.05	31%	0.306	C	S	.	.	H	α-helix	trans	-52.7	-41	177.7	0	0	0	0	0	112.4	L499 R505 H506 F512	L499-A503 VanDerWaalsContact O-CB 3.29Å; L499-A503 WeakPolarHBondContact O-CB 3.47Å; L499-A503 PolarHBondContact O-N 3.37Å; A503-R505 PolarHBondContact O-N 3.01Å; A503-H506 PolarHBondContact O-N 3.04Å; A503-F512 HydrophobicContact CB-CD2 4.21Å; A503-F512 HydrophobicContact CB-CE2 3.67Å; A503-F512 HydrophobicContact CB-CZ 3.97Å
504	K	82.7	Confident	81.7	Confident	181 Å²	181	63.8 Å²	63.8	79%	0.787	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.2	176.4	-72.9	179.3	-179.7	-172.2	0	115.2	P500 V502	P500-K504 WeakPolarHBondContact O-CG 3.08Å; V502-K504 PolarHBondContact O-N 3.26Å
505	R	84.4	Confident	81.2	Confident	192 Å²	192	64.2 Å²	64.2	73%	0.725	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-8.5	177.5	-64.4	179	-179.5	-164.5	-3.1	112.7	V502 A503	V502-R505 WeakPolarHBondContact O-CA 3.49Å; V502-R505 WeakPolarHBondContact O-CB 3.23Å; V502-R505 PolarHBondContact O-N 3.04Å; A503-R505 PolarHBondContact O-N 3.01Å
506	H	77.3	Confident	80.8	Confident	43 Å²	43	63.9 Å²	63.9	20%	0.199	31%	0.309	C	S	.	.			trans	-101.3	128.2	177.2	-75	-83.3	0	0	0	109.4	V502 A503 S508 T511 F512 Y515	V502-H506 PolarHBondContact O-CD2 3.44Å; V502-H506 VanDerWaalsContact O-CD2 3.24Å; V502-H506 PolarHBondContact O-N 2.89Å; A503-H506 PolarHBondContact O-N 3.04Å; H506-S508 VanDerWaalsContact C-N 3.29Å; H506-T511 WeakPolarHBondContact ND1-CB 3.49Å; H506-T511 PolarHBondContact ND1-OG1 3.01Å; H506-F512 HydrophobicContact CB-CB 3.78Å; H506-F512 AromaticContact CD2-CD2 3.86Å; H506-Y515 AromaticContact NE2-CG 4Å
507	D	72.8	Confident	80.4	Confident	138 Å²	138	64.2 Å²	64.2	74%	0.738	31%	0.311	S	S	*	.	S	Bend	trans	-85.2	-2.1	178.9	-57.9	-39.2	0	0	0	112.4	Y382	Y382-D507 WeakPolarHBondContact CE1-O 3.29Å
508	S	75.5	Confident	79.8	Confident	28 Å²	28	64.8 Å²	64.8	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	-160.8	153.5	177.3	64.4	0	0	0	0	113.3	H506 R510 T511 F512	H506-S508 VanDerWaalsContact C-N 3.29Å; S508-R510 PolarHBondContact O-N 3.39Å; S508-R510 VanDerWaalsContact O-N 3.15Å; S508-T511 PolarHBondContact O-N 3.28Å; S508-T511 VanDerWaalsContact O-N 3.11Å; S508-T511 PolarHBondContact O-OG1 3.38Å; S508-T511 VanDerWaalsContact O-OG1 3.12Å; S508-F512 PolarHBondContact O-N 3.26Å; S508-F512 VanDerWaalsContact O-N 3.12Å
509	D	76.2	Confident	79.6	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-23.3	172.8	-71.8	-4.9	0	0	0	111.9	A381 A383 M384 C385 T511 V513	A381-D509 VanDerWaalsContact O-CB 3.27Å; A381-D509 WeakPolarHBondContact O-CB 3.38Å; A381-D509 VanDerWaalsContact O-CG 3.3Å; A381-D509 PolarHBondContact O-N 3.39Å; A383-D509 PolarHBondContact N-OD2 2.83Å; M384-D509 WeakPolarHBondContact CB-OD1 3.39Å; M384-D509 PolarHBondContact N-OD1 2.84Å; M384-D509 PolarHBondContact N-OD2 3.29Å; C385-D509 PolarHBondContact N-OD1 3.45Å; C385-D509 PolarHBondContact SG-OD1 3.29Å; D509-T511 VanDerWaalsContact C-N 3.25Å; D509-T511 PolarHBondContact O-N 3.35Å; D509-V513 HydrophobicContact CB-CG2 4.18Å; D509-V513 VanDerWaalsContact O-CB 3.27Å; D509-V513 WeakPolarHBondContact O-CB 3.19Å; D509-V513 VanDerWaalsContact O-CG2 3.26Å; D509-V513 WeakPolarHBondContact O-CG2 3.18Å; D509-V513 PolarHBondContact O-N 3.36Å
510	R	69.6	Low	79.5	Confident	111 Å²	111	58 Å²	58	42%	0.419	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-31.3	175.7	-67.7	-169.4	-174.7	-176.4	7.9	113	D378 S508 P514	D378-R510 IonicContact OD1-NH2 2.86Å; D378-R510 PolarHBondContact OD1-NH2 3.03Å; S508-R510 PolarHBondContact O-N 3.39Å; S508-R510 VanDerWaalsContact O-N 3.15Å; R510-P514 WeakPolarHBondContact O-CD 3.5Å; R510-P514 VanDerWaalsContact O-CG 3.28Å; R510-P514 WeakPolarHBondContact O-CG 3.5Å
511	T	75.5	Confident	79.3	Confident	72 Å²	72	56.5 Å²	56.5	44%	0.442	28%	0.282	S	S	.	.	H	α-helix	trans	-100	-36.1	178.5	61.7	0	0	0	0	112.1	H506 S508 D509 Y515	H506-T511 WeakPolarHBondContact ND1-CB 3.49Å; H506-T511 PolarHBondContact ND1-OG1 3.01Å; S508-T511 PolarHBondContact O-N 3.28Å; S508-T511 VanDerWaalsContact O-N 3.11Å; S508-T511 PolarHBondContact O-OG1 3.38Å; S508-T511 VanDerWaalsContact O-OG1 3.12Å; D509-T511 VanDerWaalsContact C-N 3.25Å; D509-T511 PolarHBondContact O-N 3.35Å; T511-Y515 PolarHBondContact O-N 3.42Å
512	F	81	Confident	78.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-44	-179	174	-111.3	0	0	0	113.2	M384 C385 L390 L499 A503 H506 S508 Y515 M516	M384-F512 HydrophobicContact CB-CD1 4.28Å; M384-F512 HydrophobicContact CB-CE1 4.17Å; C385-F512 WeakPolarHBondContact SG-CB 3.42Å; C385-F512 WeakPolarHBondContact SG-CG 3.39Å; L390-F512 HydrophobicContact CD2-CE1 3.73Å; L390-F512 HydrophobicContact CD2-CZ 3.63Å; L499-F512 HydrophobicContact CD2-CZ 4.16Å; L499-F512 HydrophobicContact CG-CZ 4.19Å; A503-F512 HydrophobicContact CB-CD2 4.21Å; A503-F512 HydrophobicContact CB-CE2 3.67Å; A503-F512 HydrophobicContact CB-CZ 3.97Å; H506-F512 HydrophobicContact CB-CB 3.78Å; H506-F512 AromaticContact CD2-CD2 3.86Å; S508-F512 PolarHBondContact O-N 3.26Å; S508-F512 VanDerWaalsContact O-N 3.12Å; F512-Y515 PolarHBondContact O-N 3.33Å; F512-M516 HydrophobicContact CD1-CG 4.38Å; F512-M516 HydrophobicContact CD2-CG 3.96Å; F512-M516 HydrophobicContact CE1-CG 3.89Å; F512-M516 HydrophobicContact CE2-CG 3.42Å; F512-M516 VanDerWaalsContact CE2-CG 3.42Å; F512-M516 HydrophobicContact CE2-SD 3.95Å; F512-M516 HydrophobicContact CG-CG 4.42Å; F512-M516 HydrophobicContact CZ-CG 3.37Å; F512-M516 HydrophobicContact CZ-SD 4.1Å; F512-M516 PolarHBondContact O-N 3.46Å
513	V	81.2	Confident	78.8	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-49.5	-176.9	172.8	0	0	0	0	111.4	L371 R424 F425 D509 Y515 M516 L517	L371-V513 HydrophobicContact CD2-CG1 4.25Å; R424-V513 HydrophobicContact CB-CG1 4.26Å; F425-V513 HydrophobicContact CE2-CG1 4.4Å; F425-V513 HydrophobicContact CE2-CG2 4.1Å; F425-V513 HydrophobicContact CZ-CB 4.29Å; F425-V513 HydrophobicContact CZ-CG1 3.97Å; F425-V513 HydrophobicContact CZ-CG2 3.98Å; D509-V513 HydrophobicContact CB-CG2 4.18Å; D509-V513 VanDerWaalsContact O-CB 3.27Å; D509-V513 WeakPolarHBondContact O-CB 3.19Å; D509-V513 VanDerWaalsContact O-CG2 3.26Å; D509-V513 WeakPolarHBondContact O-CG2 3.18Å; D509-V513 PolarHBondContact O-N 3.36Å; V513-Y515 VanDerWaalsContact C-N 3.34Å; V513-Y515 PolarHBondContact O-N 3.26Å; V513-M516 PolarHBondContact O-N 3.43Å; V513-M516 VanDerWaalsContact O-N 3.16Å; V513-L517 HydrophobicContact CG1-CD1 3.75Å; V513-L517 HydrophobicContact CG1-CG 4.22Å; V513-L517 WeakPolarHBondContact O-CG 3.49Å; V513-L517 PolarHBondContact O-N 2.9Å
514	P	73	Confident	78.8	Confident	58 Å²	58	59 Å²	59	38%	0.377	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-41.3	175.7	-25.7	35.8	0	0	0	113.5	R510 M516 L517 S518	R510-P514 WeakPolarHBondContact O-CD 3.5Å; R510-P514 VanDerWaalsContact O-CG 3.28Å; R510-P514 WeakPolarHBondContact O-CG 3.5Å; P514-M516 VanDerWaalsContact C-N 3.33Å; P514-M516 PolarHBondContact O-N 3.47Å; P514-L517 PolarHBondContact O-N 3.34Å; P514-S518 PolarHBondContact O-N 3.02Å
515	Y	81	Confident	78.6	Confident	85 Å²	85	53.8 Å²	53.8	33%	0.333	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-48.9	174	169.3	-90	0	0	0	110.7	V502 H506 T511 F512 V513 L517 S518 V519	V502-Y515 HydrophobicContact CB-CE1 4.14Å; V502-Y515 HydrophobicContact CG1-CD1 3.74Å; V502-Y515 HydrophobicContact CG1-CE1 3.4Å; V502-Y515 VanDerWaalsContact CG1-CE1 3.4Å; V502-Y515 HydrophobicContact CG1-CG 4.46Å; V502-Y515 HydrophobicContact CG2-CE1 4.25Å; H506-Y515 AromaticContact NE2-CG 4Å; T511-Y515 PolarHBondContact O-N 3.42Å; F512-Y515 PolarHBondContact O-N 3.33Å; V513-Y515 VanDerWaalsContact C-N 3.34Å; V513-Y515 PolarHBondContact O-N 3.26Å; Y515-L517 PolarHBondContact O-N 3.47Å; Y515-S518 WeakPolarHBondContact O-CB 3.28Å; Y515-S518 PolarHBondContact O-N 3.26Å; Y515-S518 VanDerWaalsContact O-N 3.17Å; Y515-S518 PolarHBondContact O-OG 3.16Å; Y515-V519 HydrophobicContact CD1-CG2 4.38Å; Y515-V519 HydrophobicContact CE1-CG2 3.79Å; Y515-V519 HydrophobicContact CE2-CG2 4.31Å; Y515-V519 PolarHBondContact O-N 3.2Å; Y515-V519 VanDerWaalsContact O-N 3.12Å
516	M	81.4	Confident	78.5	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-41.7	-179	-80.5	-53.5	-41.3	0	0	113	F425 L496 L499 F512 V513 P514 S518 V519 L520	F425-M516 HydrophobicContact CE1-CB 3.74Å; F425-M516 HydrophobicContact CZ-CB 4.11Å; L496-M516 HydrophobicContact CD2-CE 4.49Å; L499-M516 HydrophobicContact CD1-CE 3.15Å; L499-M516 HydrophobicContact CD1-CG 4.42Å; L499-M516 HydrophobicContact CD1-SD 3.39Å; L499-M516 WeakPolarHBondContact CD1-SD 3.47Å; L499-M516 HydrophobicContact CG-CE 4.22Å; L499-M516 HydrophobicContact CG-SD 3.8Å; F512-M516 HydrophobicContact CD1-CG 4.38Å; F512-M516 HydrophobicContact CD2-CG 3.96Å; F512-M516 HydrophobicContact CE1-CG 3.89Å; F512-M516 HydrophobicContact CE2-CG 3.42Å; F512-M516 VanDerWaalsContact CE2-CG 3.42Å; F512-M516 HydrophobicContact CE2-SD 3.95Å; F512-M516 HydrophobicContact CG-CG 4.42Å; F512-M516 HydrophobicContact CZ-CG 3.37Å; F512-M516 HydrophobicContact CZ-SD 4.1Å; F512-M516 PolarHBondContact O-N 3.46Å; V513-M516 PolarHBondContact O-N 3.43Å; V513-M516 VanDerWaalsContact O-N 3.16Å; P514-M516 VanDerWaalsContact C-N 3.33Å; P514-M516 PolarHBondContact O-N 3.47Å; M516-S518 VanDerWaalsContact C-N 3.27Å; M516-S518 PolarHBondContact O-N 3.23Å; M516-V519 PolarHBondContact O-N 2.79Å; M516-L520 WeakPolarHBondContact O-CG 3.48Å; M516-L520 PolarHBondContact O-N 2.74Å
517	L	81.9	Confident	78.9	Confident	8 Å²	8	46 Å²	46	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-38	175.4	-67.3	171.5	0	0	0	111.3	I335 L338 F425 V513 P514 Y515 V519 L520 A521	I335-L517 HydrophobicContact CB-CD2 4.03Å; I335-L517 HydrophobicContact CD1-CD2 4.26Å; I335-L517 HydrophobicContact CG2-CD2 3.36Å; L338-L517 HydrophobicContact CD2-CB 4.2Å; L338-L517 HydrophobicContact CD2-CD1 3.76Å; L338-L517 HydrophobicContact CD2-CG 4.47Å; F425-L517 HydrophobicContact CD1-CD2 4.22Å; F425-L517 HydrophobicContact CE1-CD2 4.2Å; F425-L517 HydrophobicContact CE1-CG 4.42Å; V513-L517 HydrophobicContact CG1-CD1 3.75Å; V513-L517 HydrophobicContact CG1-CG 4.22Å; V513-L517 WeakPolarHBondContact O-CG 3.49Å; V513-L517 PolarHBondContact O-N 2.9Å; P514-L517 PolarHBondContact O-N 3.34Å; Y515-L517 PolarHBondContact O-N 3.47Å; L517-V519 VanDerWaalsContact C-N 3.34Å; L517-V519 PolarHBondContact O-N 3.33Å; L517-L520 PolarHBondContact O-N 3.47Å; L517-A521 PolarHBondContact O-N 3.28Å
518	S	75.3	Confident	79.4	Confident	69 Å²	69	43.6 Å²	43.6	48%	0.483	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-36.9	175.5	80.1	0	0	0	0	113.1	P514 Y515 M516	P514-S518 PolarHBondContact O-N 3.02Å; Y515-S518 WeakPolarHBondContact O-CB 3.28Å; Y515-S518 PolarHBondContact O-N 3.26Å; Y515-S518 VanDerWaalsContact O-N 3.17Å; Y515-S518 PolarHBondContact O-OG 3.16Å; M516-S518 VanDerWaalsContact C-N 3.27Å; M516-S518 PolarHBondContact O-N 3.23Å
519	V	81.9	Confident	79.9	Confident	37 Å²	37	45.4 Å²	45.4	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-40.6	175.4	174.4	0	0	0	0	110.7	Y515 M516 L517 Y523	Y515-V519 HydrophobicContact CD1-CG2 4.38Å; Y515-V519 HydrophobicContact CE1-CG2 3.79Å; Y515-V519 HydrophobicContact CE2-CG2 4.31Å; Y515-V519 PolarHBondContact O-N 3.2Å; Y515-V519 VanDerWaalsContact O-N 3.12Å; M516-V519 PolarHBondContact O-N 2.79Å; L517-V519 VanDerWaalsContact C-N 3.34Å; L517-V519 PolarHBondContact O-N 3.33Å; V519-Y523 HydrophobicContact CG1-CE2 4.36Å; V519-Y523 WeakPolarHBondContact O-CD2 3.42Å; V519-Y523 WeakPolarHBondContact O-CE2 3.15Å
520	L	83	Confident	80.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-70.7	-32.1	-178.9	-69.1	173.2	0	0	0	113	I335 L398 F425 I495 L496 M516 L517 N522 Y523 F524	I335-L520 HydrophobicContact CD1-CB 3.84Å; I335-L520 HydrophobicContact CD1-CD1 4Å; L398-L520 HydrophobicContact CD1-CD1 4.38Å; L398-L520 HydrophobicContact CD1-CD2 3.89Å; L398-L520 HydrophobicContact CD2-CD1 4.05Å; L398-L520 HydrophobicContact CD2-CD2 4.43Å; F425-L520 HydrophobicContact CD1-CD1 4.03Å; F425-L520 HydrophobicContact CE1-CD1 4.47Å; I495-L520 HydrophobicContact CG2-CD2 4.13Å; L496-L520 HydrophobicContact CD2-CD2 4.46Å; M516-L520 WeakPolarHBondContact O-CG 3.48Å; M516-L520 PolarHBondContact O-N 2.74Å; L517-L520 PolarHBondContact O-N 3.47Å; L520-N522 VanDerWaalsContact C-N 3.26Å; L520-N522 PolarHBondContact O-N 3.14Å; L520-Y523 PolarHBondContact O-N 3.09Å; L520-F524 WeakPolarHBondContact O-CD2 3.43Å; L520-F524 PolarHBondContact O-N 3.11Å
521	A	77.6	Confident	81	Confident	28 Å²	28	40 Å²	40	23%	0.231	22%	0.216	C	C	.	.	H	α-helix	trans	-52	-42.2	-178	0	0	0	0	0	113	M340 L517 Y523 F524 T525	M340-A521 HydrophobicContact SD-CB 4Å; L517-A521 PolarHBondContact O-N 3.28Å; A521-Y523 PolarHBondContact O-N 3.19Å; A521-F524 WeakPolarHBondContact O-CB 3.37Å; A521-F524 PolarHBondContact O-N 2.71Å; A521-F524 VanDerWaalsContact O-N 3.13Å; A521-T525 PolarHBondContact O-N 3.29Å; A521-T525 PolarHBondContact O-OG1 2.9Å
522	N	77.3	Confident	81.3	Confident	112 Å²	112	38.5 Å²	38.5	60%	0.599	21%	0.211	S	C	*	.	H	α-helix	trans	-60.2	-33.8	178.3	-69.2	-29.4	0	0	0	113.1	L520 T525 F526	L520-N522 VanDerWaalsContact C-N 3.26Å; L520-N522 PolarHBondContact O-N 3.14Å; N522-T525 PolarHBondContact O-N 2.77Å; N522-F526 PolarHBondContact O-N 3.44Å
523	Y	83.7	Confident	81.4	Confident	60 Å²	60	40.3 Å²	40.3	24%	0.235	22%	0.219	C	C	.	.	H	α-helix	trans	-79.7	-24	-179.6	-61.3	-74.1	0	0	0	112.6	I495 V519 L520 A521 T525 F526 A527 I566	I495-Y523 HydrophobicContact CB-CE2 4.28Å; I495-Y523 HydrophobicContact CD1-CD1 3.66Å; I495-Y523 HydrophobicContact CD1-CD2 4.27Å; I495-Y523 HydrophobicContact CD1-CE1 3.83Å; I495-Y523 HydrophobicContact CD1-CE2 4.42Å; I495-Y523 HydrophobicContact CD1-CG 3.89Å; I495-Y523 HydrophobicContact CG1-CD1 3.95Å; I495-Y523 HydrophobicContact CG1-CD2 4.25Å; I495-Y523 HydrophobicContact CG1-CE1 3.59Å; I495-Y523 HydrophobicContact CG1-CE2 3.92Å; I495-Y523 HydrophobicContact CG1-CG 4.27Å; I495-Y523 HydrophobicContact CG2-CD2 3.9Å; I495-Y523 HydrophobicContact CG2-CE2 3.75Å; V519-Y523 HydrophobicContact CG1-CE2 4.36Å; V519-Y523 WeakPolarHBondContact O-CD2 3.42Å; V519-Y523 WeakPolarHBondContact O-CE2 3.15Å; L520-Y523 PolarHBondContact O-N 3.09Å; A521-Y523 PolarHBondContact O-N 3.19Å; Y523-T525 VanDerWaalsContact C-N 3.35Å; Y523-F526 WeakPolarHBondContact O-CB 3.34Å; Y523-F526 PolarHBondContact O-N 3.47Å; Y523-A527 PolarHBondContact O-N 2.78Å; Y523-I566 HydrophobicContact CD1-CD1 4.26Å
524	F	81.6	Confident	81.3	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-38	170	-84.6	-116.6	0	0	0	111	V333 I335 M340 P427 L520 A521 F526 A527 Y528 I569	V333-F524 HydrophobicContact CB-CD1 4.26Å; V333-F524 HydrophobicContact CB-CE1 4.3Å; V333-F524 HydrophobicContact CG1-CD1 4.07Å; V333-F524 HydrophobicContact CG1-CE1 3.64Å; I335-F524 HydrophobicContact CD1-CD2 3.96Å; I335-F524 HydrophobicContact CD1-CE1 4.19Å; I335-F524 HydrophobicContact CD1-CE2 3.24Å; I335-F524 HydrophobicContact CD1-CZ 3.4Å; I335-F524 VanDerWaalsContact CD1-CZ 3.4Å; I335-F524 HydrophobicContact CG1-CE1 3.71Å; I335-F524 HydrophobicContact CG1-CE2 3.62Å; I335-F524 HydrophobicContact CG1-CZ 3.14Å; M340-F524 HydrophobicContact CB-CB 4.12Å; M340-F524 HydrophobicContact CB-CD1 3.52Å; M340-F524 HydrophobicContact CB-CE1 4.11Å; M340-F524 HydrophobicContact CB-CG 3.82Å; M340-F524 HydrophobicContact CG-CD1 4.01Å; M340-F524 HydrophobicContact CG-CE1 4.18Å; M340-F524 HydrophobicContact CG-CG 4.22Å; P427-F524 HydrophobicContact CB-CZ 4.15Å; P427-F524 HydrophobicContact CG-CZ 4.38Å; L520-F524 WeakPolarHBondContact O-CD2 3.43Å; L520-F524 PolarHBondContact O-N 3.11Å; A521-F524 WeakPolarHBondContact O-CB 3.37Å; A521-F524 PolarHBondContact O-N 2.71Å; A521-F524 VanDerWaalsContact O-N 3.13Å; F524-F526 VanDerWaalsContact C-N 3.32Å; F524-F526 PolarHBondContact O-N 3.23Å; F524-A527 WeakPolarHBondContact O-CB 3.28Å; F524-A527 PolarHBondContact O-N 3.18Å; F524-Y528 PolarHBondContact O-N 3.26Å; F524-I569 HydrophobicContact CD1-CG2 3.67Å; F524-I569 HydrophobicContact CD2-CD1 3.63Å; F524-I569 HydrophobicContact CE1-CD1 4.26Å; F524-I569 HydrophobicContact CE1-CG1 4.18Å; F524-I569 HydrophobicContact CE1-CG2 3.76Å; F524-I569 HydrophobicContact CE2-CD1 3.25Å; F524-I569 HydrophobicContact CE2-CG1 3.98Å; F524-I569 HydrophobicContact CG-CD1 4.24Å; F524-I569 HydrophobicContact CG-CG2 4.08Å; F524-I569 HydrophobicContact CZ-CD1 3.6Å; F524-I569 HydrophobicContact CZ-CG1 3.77Å; F524-I569 HydrophobicContact CZ-CG2 4.21Å
525	T	78.9	Confident	81.4	Confident	71 Å²	71	41.6 Å²	41.6	44%	0.436	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-40	170.5	-46.1	0	0	0	0	111.6	A521 N522 Y523 A527 Y528 V529	A521-T525 PolarHBondContact O-N 3.29Å; A521-T525 PolarHBondContact O-OG1 2.9Å; N522-T525 PolarHBondContact O-N 2.77Å; Y523-T525 VanDerWaalsContact C-N 3.35Å; T525-A527 VanDerWaalsContact C-N 3.29Å; T525-A527 PolarHBondContact O-N 2.89Å; T525-Y528 WeakPolarHBondContact O-CB 3.48Å; T525-Y528 PolarHBondContact O-N 3.11Å; T525-V529 WeakPolarHBondContact O-CG2 3.28Å; T525-V529 PolarHBondContact O-N 2.84Å
526	F	83.1	Confident	81.1	Confident	73 Å²	73	40.6 Å²	40.6	32%	0.32	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-37.4	173.3	-103.6	-101.6	0	0	0	112.9	N522 Y523 F524 V529 M530 F556 I566	N522-F526 PolarHBondContact O-N 3.44Å; Y523-F526 WeakPolarHBondContact O-CB 3.34Å; Y523-F526 PolarHBondContact O-N 3.47Å; F524-F526 VanDerWaalsContact C-N 3.32Å; F524-F526 PolarHBondContact O-N 3.23Å; F526-V529 PolarHBondContact O-N 2.84Å; F526-M530 PolarHBondContact O-N 3.17Å; F526-F556 HydrophobicContact CE1-CB 4.09Å; F526-F556 AromaticContact CE1-CD1 3.5Å; F526-F556 HydrophobicContact CE1-CD1 3.5Å; F526-F556 VanDerWaalsContact CE1-CD1 3.5Å; F526-F556 HydrophobicContact CE1-CE1 4Å; F526-F556 AromaticContact CE1-CG 3.81Å; F526-F556 HydrophobicContact CE1-CG 3.81Å; F526-F556 AromaticContact CZ-CD1 3.96Å; F526-F556 HydrophobicContact CZ-CD1 3.96Å; F526-F556 HydrophobicContact CZ-CE1 4.32Å; F526-I566 HydrophobicContact CB-CD1 4.36Å; F526-I566 HydrophobicContact CB-CG2 4.28Å
527	A	86.2	Confident	80.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-39.6	175.7	0	0	0	0	0	111.7	Y523 F524 T525 M530 A531 I566 I569 A570 I573	Y523-A527 PolarHBondContact O-N 2.78Å; F524-A527 WeakPolarHBondContact O-CB 3.28Å; F524-A527 PolarHBondContact O-N 3.18Å; T525-A527 VanDerWaalsContact C-N 3.29Å; T525-A527 PolarHBondContact O-N 2.89Å; A527-M530 WeakPolarHBondContact O-CB 3.11Å; A527-M530 PolarHBondContact O-N 3.17Å; A527-A531 PolarHBondContact O-N 2.63Å; A527-I566 HydrophobicContact CB-CG2 3.98Å; A527-I566 WeakPolarHBondContact CB-O 3.45Å; A527-I569 HydrophobicContact CB-CB 3.6Å; A527-I569 HydrophobicContact CB-CG2 3.44Å; A527-I569 VanDerWaalsContact CB-CG2 3.44Å; A527-A570 HydrophobicContact CB-CB 4.26Å; A527-A570 WeakPolarHBondContact O-CB 3.35Å; A527-I573 HydrophobicContact CB-CD1 4.38Å
528	Y	82.6	Confident	79.3	Confident	86 Å²	86	51.9 Å²	51.9	34%	0.337	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-47.5	171.3	179.8	-106.8	0	0	0	112.3	L341 Y343 F524 T525 M530 A531 A532	L341-Y528 HydrophobicContact CD1-CG 4.21Å; L341-Y528 HydrophobicContact CD2-CD2 4.1Å; L341-Y528 HydrophobicContact CD2-CG 4.23Å; Y343-Y528 HydrophobicContact CG-CD2 4.44Å; Y343-Y528 HydrophobicContact CG-CE2 4.23Å; F524-Y528 PolarHBondContact O-N 3.26Å; T525-Y528 WeakPolarHBondContact O-CB 3.48Å; T525-Y528 PolarHBondContact O-N 3.11Å; Y528-M530 VanDerWaalsContact C-N 3.26Å; Y528-M530 PolarHBondContact O-N 3.35Å; Y528-A531 PolarHBondContact O-N 2.86Å; Y528-A531 VanDerWaalsContact O-N 3.15Å; Y528-A532 WeakPolarHBondContact O-CB 3.43Å; Y528-A532 PolarHBondContact O-N 3.5Å
529	V	85	Confident	78.3	Confident	67 Å²	67	53.4 Å²	53.4	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-37.9	176.6	175.2	0	0	0	0	111	T525 F526 F533 F552	T525-V529 WeakPolarHBondContact O-CG2 3.28Å; T525-V529 PolarHBondContact O-N 2.84Å; F526-V529 PolarHBondContact O-N 2.84Å; V529-F533 WeakPolarHBondContact O-CB 3.33Å; V529-F533 PolarHBondContact O-N 3.42Å; V529-F552 HydrophobicContact CG1-CE2 4.31Å
530	M	86.7	Confident	77	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-47	173.7	-174.2	-174.9	-67.9	0	0	111.5	F526 A527 Y528 F533 L534 L549 F552 F563 I566 R567 A570	F526-M530 PolarHBondContact O-N 3.17Å; A527-M530 WeakPolarHBondContact O-CB 3.11Å; A527-M530 PolarHBondContact O-N 3.17Å; Y528-M530 VanDerWaalsContact C-N 3.26Å; Y528-M530 PolarHBondContact O-N 3.35Å; M530-F533 CarbonylContact O-C 3.59Å; M530-F533 WeakPolarHBondContact O-CB 3.14Å; M530-F533 PolarHBondContact O-N 3.14Å; M530-L534 HydrophobicContact CG-CD1 4.17Å; M530-L534 HydrophobicContact CG-CG 4.49Å; M530-L534 VanDerWaalsContact O-CG 3.28Å; M530-L534 WeakPolarHBondContact O-CG 3.48Å; M530-L534 PolarHBondContact O-N 3.23Å; M530-L549 HydrophobicContact SD-CD2 4.06Å; M530-F552 HydrophobicContact CB-CE1 4.02Å; M530-F552 HydrophobicContact CB-CE2 4.04Å; M530-F552 HydrophobicContact CB-CZ 3.7Å; M530-F552 HydrophobicContact CE-CD1 3.48Å; M530-F552 VanDerWaalsContact CE-CD1 3.48Å; M530-F552 HydrophobicContact CE-CE1 3.42Å; M530-F552 VanDerWaalsContact CE-CE1 3.42Å; M530-F552 HydrophobicContact CE-CG 4.4Å; M530-F552 HydrophobicContact CE-CZ 4.29Å; M530-F552 HydrophobicContact CG-CD1 4.33Å; M530-F552 HydrophobicContact CG-CE1 4.22Å; M530-F552 HydrophobicContact CG-CE2 4.4Å; M530-F552 HydrophobicContact CG-CG 4.48Å; M530-F552 HydrophobicContact CG-CZ 4.26Å; M530-F563 HydrophobicContact CE-CD2 3.75Å; M530-F563 HydrophobicContact CE-CE2 3.43Å; M530-F563 VanDerWaalsContact CE-CE2 3.43Å; M530-F563 HydrophobicContact CE-CZ 4.37Å; M530-F563 HydrophobicContact SD-CE2 4.27Å; M530-I566 HydrophobicContact CE-CB 4.22Å; M530-I566 HydrophobicContact CE-CG2 3.53Å; M530-I566 HydrophobicContact SD-CG2 4.38Å; M530-R567 HydrophobicContact SD-CB 4.27Å; M530-A570 HydrophobicContact CB-CB 4.25Å; M530-A570 HydrophobicContact CG-CB 4.32Å; M530-A570 HydrophobicContact SD-CB 4.04Å
531	A	82.9	Confident	75.7	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-49.2	178.8	0	0	0	0	0	111	A527 Y528 F533 L534 T535 A570 I573 H574	A527-A531 PolarHBondContact O-N 2.63Å; Y528-A531 PolarHBondContact O-N 2.86Å; Y528-A531 VanDerWaalsContact O-N 3.15Å; A531-F533 VanDerWaalsContact C-N 3.33Å; A531-F533 PolarHBondContact O-N 3.08Å; A531-L534 PolarHBondContact O-N 3.42Å; A531-T535 PolarHBondContact O-N 3.45Å; A531-T535 PolarHBondContact O-OG1 3.01Å; A531-A570 HydrophobicContact CB-CB 4.35Å; A531-I573 HydrophobicContact CB-CB 4.3Å; A531-I573 HydrophobicContact CB-CD1 4.46Å; A531-I573 HydrophobicContact CB-CG2 3.97Å; A531-H574 WeakPolarHBondContact CA-NE2 3.47Å; A531-H574 PolarHBondContact O-CE1 2.97Å; A531-H574 PolarHBondContact O-NE2 3.2Å
532	A	81.6	Confident	74.7	Confident	41 Å²	41	68.5 Å²	68.5	34%	0.339	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-41	174.4	0	0	0	0	0	112.4	Y528 L534 T535 D536	Y528-A532 WeakPolarHBondContact O-CB 3.43Å; Y528-A532 PolarHBondContact O-N 3.5Å; A532-L534 VanDerWaalsContact C-N 3.25Å; A532-L534 PolarHBondContact O-N 3.5Å; A532-T535 WeakPolarHBondContact CA-OG1 3.26Å; A532-T535 PolarHBondContact O-N 2.8Å; A532-T535 PolarHBondContact O-OG1 3.02Å; A532-T535 VanDerWaalsContact O-OG1 3.06Å; A532-D536 PolarHBondContact O-N 3.02Å
533	F	82.8	Confident	74.1	Confident	38 Å²	38	66.7 Å²	66.7	17%	0.167	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-30	175.3	175.3	-102	0	0	0	112.4	V529 M530 A531 R548 F552	V529-F533 WeakPolarHBondContact O-CB 3.33Å; V529-F533 PolarHBondContact O-N 3.42Å; M530-F533 CarbonylContact O-C 3.59Å; M530-F533 WeakPolarHBondContact O-CB 3.14Å; M530-F533 PolarHBondContact O-N 3.14Å; A531-F533 VanDerWaalsContact C-N 3.33Å; A531-F533 PolarHBondContact O-N 3.08Å; F533-R548 HydrophobicContact CE1-CB 4.02Å; F533-R548 VanDerWaalsContact O-CZ 3.28Å; F533-R548 PolarHBondContact O-NH2 3.46Å; F533-F552 HydrophobicContact CB-CD2 4.25Å; F533-F552 HydrophobicContact CB-CE2 4.27Å; F533-F552 HydrophobicContact CD1-CB 4.35Å; F533-F552 AromaticContact CD1-CD2 3.69Å; F533-F552 HydrophobicContact CD1-CD2 3.69Å; F533-F552 HydrophobicContact CD1-CG 4.44Å; F533-F552 HydrophobicContact CE1-CB 4.2Å; F533-F552 HydrophobicContact CE1-CD2 4.23Å; F533-F552 AromaticContact CG-CD2 3.99Å; F533-F552 HydrophobicContact CG-CD2 3.99Å; F533-F552 HydrophobicContact CG-CE2 4.46Å
534	L	78.9	Confident	73.9	Confident	20 Å²	20	68.8 Å²	68.8	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-80.1	-35	177.9	-69	172.4	0	0	0	112.3	M530 A531 A532 K545 R548 L549	M530-L534 HydrophobicContact CG-CD1 4.17Å; M530-L534 HydrophobicContact CG-CG 4.49Å; M530-L534 VanDerWaalsContact O-CG 3.28Å; M530-L534 WeakPolarHBondContact O-CG 3.48Å; M530-L534 PolarHBondContact O-N 3.23Å; A531-L534 PolarHBondContact O-N 3.42Å; A532-L534 VanDerWaalsContact C-N 3.25Å; A532-L534 PolarHBondContact O-N 3.5Å; L534-K545 HydrophobicContact CD2-CG 4.41Å; L534-R548 HydrophobicContact CD2-CB 4.37Å; L534-R548 PolarHBondContact O-NH1 2.84Å; L534-L549 HydrophobicContact CD1-CD2 3.88Å; L534-L549 HydrophobicContact CD2-CD2 3.9Å; L534-L549 HydrophobicContact CD2-CG 4.18Å; L534-L549 HydrophobicContact CG-CD2 4.4Å
535	T	75.5	Confident	73.8	Confident	66 Å²	66	73.9 Å²	73.9	41%	0.405	39%	0.389	S	S	.	.	H	α-helix	trans	-76.9	-19.7	176.9	51.5	0	0	0	0	113.7	A531 A532 K537 H574	A531-T535 PolarHBondContact O-N 3.45Å; A531-T535 PolarHBondContact O-OG1 3.01Å; A532-T535 WeakPolarHBondContact CA-OG1 3.26Å; A532-T535 PolarHBondContact O-N 2.8Å; A532-T535 PolarHBondContact O-OG1 3.02Å; A532-T535 VanDerWaalsContact O-OG1 3.06Å; T535-K537 PolarHBondContact O-N 3.33Å; T535-H574 WeakPolarHBondContact CG2-CE1 3.47Å
536	D	75.1	Confident	74	Confident	65 Å²	65	78.3 Å²	78.3	35%	0.348	40%	0.402	S	S	.	.			trans	-57.4	108.6	-179.5	-179.2	13.1	0	0	0	112.2	A532 A538 C540 R548	A532-D536 PolarHBondContact O-N 3.02Å; D536-A538 VanDerWaalsContact C-N 3.29Å; D536-A538 PolarHBondContact O-N 2.99Å; D536-A538 VanDerWaalsContact OD1-CB 3.28Å; D536-A538 WeakPolarHBondContact OD1-CB 3.38Å; D536-A538 PolarHBondContact OD1-N 3.43Å; D536-C540 PolarHBondContact O-SG 3.27Å; D536-R548 PolarHBondContact O-NH1 2.7Å; D536-R548 PolarHBondContact O-NH2 2.94Å; D536-R548 VanDerWaalsContact O-NH2 3.11Å
537	K	65.8	Low	74	Confident	175 Å²	175	81.6 Å²	81.6	76%	0.761	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-69.5	-22.7	-178.4	-65	-174.9	-177.9	178.2	0	112.7	T535 H539 C540	T535-K537 PolarHBondContact O-N 3.33Å; K537-H539 PolarHBondContact O-N 2.68Å; K537-C540 PolarHBondContact O-N 3.44Å
538	A	59.9	Low	73.9	Confident	74 Å²	74	82 Å²	82	61%	0.612	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-61.3	-20.6	-179.2	0	0	0	0	0	112.4	D536	D536-A538 VanDerWaalsContact C-N 3.29Å; D536-A538 PolarHBondContact O-N 2.99Å; D536-A538 VanDerWaalsContact OD1-CB 3.28Å; D536-A538 WeakPolarHBondContact OD1-CB 3.38Å; D536-A538 PolarHBondContact OD1-N 3.43Å
539	H	55.2	Low	74.2	Confident	101 Å²	101	78.4 Å²	78.4	47%	0.468	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-120.3	-1.1	-178.9	-63.4	8.1	0	0	0	113.5	K537 T541	K537-H539 PolarHBondContact O-N 2.68Å; H539-T541 PolarHBondContact O-N 3Å
540	C	53.9	Low	74.3	Confident	63 Å²	63	78.2 Å²	78.2	43%	0.426	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.4	-176.1	-81	0	0	0	0	114.5	D536 K537 K542 R548	D536-C540 PolarHBondContact O-SG 3.27Å; K537-C540 PolarHBondContact O-N 3.44Å; C540-K542 PolarHBondContact O-N 3.43Å; C540-R548 PolarHBondContact SG-NH1 2.74Å
541	T	55	Low	74.2	Confident	124 Å²	124	81.1 Å²	81.1	76%	0.761	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.3	-169.1	54.6	0	0	0	0	115.2	H539	H539-T541 PolarHBondContact O-N 3Å
542	K	57.9	Low	74.5	Confident	198 Å²	198	81.2 Å²	81.2	86%	0.861	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	-16.8	-175.5	-70.5	-174.1	180	178.1	0	117.8	C540	C540-K542 PolarHBondContact O-N 3.43Å
543	M	64	Low	74.9	Confident	75 Å²	75	80.1 Å²	80.1	37%	0.369	41%	0.414	S	S	.	.	S	Bend	trans	-126	129.3	-175.9	-73.8	-160.4	-65.6	0	0	113	R548	M543-R548 HydrophobicContact CB-CG 4.13Å; M543-R548 HydrophobicContact CE-CG 4.45Å
544	D	79	Confident	75.2	Confident	103 Å²	103	83.2 Å²	83.2	55%	0.551	44%	0.439	S	S	*	.			trans	-53.1	139.6	171	179.6	7	0	0	0	111.5	K546 K547 R548	D544-K546 PolarHBondContact O-N 3Å; D544-K546 VanDerWaalsContact O-N 3.12Å; D544-K546 PolarHBondContact OD1-N 3.37Å; D544-K547 WeakPolarHBondContact O-CA 3.34Å; D544-K547 WeakPolarHBondContact O-CB 3.45Å; D544-K547 PolarHBondContact O-N 3.01Å; D544-R548 PolarHBondContact O-N 3.14Å; D544-R548 VanDerWaalsContact O-N 3.1Å
545	K	80.7	Confident	75.6	Confident	109 Å²	109	90.2 Å²	90.2	47%	0.474	46%	0.464	S	S	.	.	H	α-helix	trans	-48.9	-40.3	178.6	-177.8	176	179.5	176.1	0	111.1	L534 K547 R548 L549	L534-K545 HydrophobicContact CD2-CG 4.41Å; K545-K547 VanDerWaalsContact C-N 3.35Å; K545-K547 PolarHBondContact O-N 3.29Å; K545-R548 PolarHBondContact O-N 2.84Å; K545-L549 HydrophobicContact CG-CD1 4.29Å; K545-L549 WeakPolarHBondContact O-CB 3.42Å; K545-L549 WeakPolarHBondContact O-CG 3.07Å; K545-L549 PolarHBondContact O-N 3.47Å
546	K	82.5	Confident	76.1	Confident	164 Å²	164	91.7 Å²	91.7	71%	0.713	47%	0.465	S	S	*	.	H	α-helix	trans	-61.5	-39.6	178.2	-169.8	176.2	-179.6	178.3	0	112.7	D544 A550	D544-K546 PolarHBondContact O-N 3Å; D544-K546 VanDerWaalsContact O-N 3.12Å; D544-K546 PolarHBondContact OD1-N 3.37Å; K546-A550 PolarHBondContact O-N 2.71Å; K546-A550 VanDerWaalsContact O-N 3.1Å
547	K	83.7	Confident	76.8	Confident	141 Å²	141	91.9 Å²	91.9	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-70.8	-40.1	176.7	-70.1	-177.3	179.4	177.2	0	111.6	D544 K545 A550 Q551	D544-K547 WeakPolarHBondContact O-CA 3.34Å; D544-K547 WeakPolarHBondContact O-CB 3.45Å; D544-K547 PolarHBondContact O-N 3.01Å; K545-K547 VanDerWaalsContact C-N 3.35Å; K545-K547 PolarHBondContact O-N 3.29Å; K547-A550 PolarHBondContact O-N 3.2Å; K547-Q551 WeakPolarHBondContact O-CB 3.19Å; K547-Q551 PolarHBondContact O-N 2.9Å
548	R	84.3	Confident	77.9	Confident	9 Å²	9	85.1 Å²	85.1	3%	0.034	45%	0.454	C	S	.	.	H	α-helix	trans	-60.2	-45.2	174.6	-69.4	-177.4	76.3	167.1	13.7	111.6	F533 L534 D536 C540 M543 D544 K545 Q551 F552	F533-R548 HydrophobicContact CE1-CB 4.02Å; F533-R548 VanDerWaalsContact O-CZ 3.28Å; F533-R548 PolarHBondContact O-NH2 3.46Å; L534-R548 HydrophobicContact CD2-CB 4.37Å; L534-R548 PolarHBondContact O-NH1 2.84Å; D536-R548 PolarHBondContact O-NH1 2.7Å; D536-R548 PolarHBondContact O-NH2 2.94Å; D536-R548 VanDerWaalsContact O-NH2 3.11Å; C540-R548 PolarHBondContact SG-NH1 2.74Å; M543-R548 HydrophobicContact CB-CG 4.13Å; M543-R548 HydrophobicContact CE-CG 4.45Å; D544-R548 PolarHBondContact O-N 3.14Å; D544-R548 VanDerWaalsContact O-N 3.1Å; K545-R548 PolarHBondContact O-N 2.84Å; R548-Q551 PolarHBondContact O-N 3.47Å; R548-F552 WeakPolarHBondContact O-CB 3.45Å; R548-F552 PolarHBondContact O-N 3.1Å
549	L	88	Confident	79.5	Confident	11 Å²	11	85.1 Å²	85.1	6%	0.058	44%	0.442	C	S	.	.	H	α-helix	trans	-60.2	-45.6	175.7	-76.9	176.7	0	0	0	112.3	M530 L534 K545 Q551 F552 A553 F563	M530-L549 HydrophobicContact SD-CD2 4.06Å; L534-L549 HydrophobicContact CD1-CD2 3.88Å; L534-L549 HydrophobicContact CD2-CD2 3.9Å; L534-L549 HydrophobicContact CD2-CG 4.18Å; L534-L549 HydrophobicContact CG-CD2 4.4Å; K545-L549 HydrophobicContact CG-CD1 4.29Å; K545-L549 WeakPolarHBondContact O-CB 3.42Å; K545-L549 WeakPolarHBondContact O-CG 3.07Å; K545-L549 PolarHBondContact O-N 3.47Å; L549-Q551 VanDerWaalsContact C-N 3.34Å; L549-Q551 PolarHBondContact O-N 3.44Å; L549-F552 PolarHBondContact O-N 3.2Å; L549-A553 PolarHBondContact O-N 2.95Å; L549-F563 HydrophobicContact CB-CZ 3.93Å; L549-F563 HydrophobicContact CD2-CE2 4.44Å; L549-F563 HydrophobicContact CD2-CZ 3.93Å; L549-F563 HydrophobicContact CG-CZ 4.4Å
550	A	86.6	Confident	81.3	Confident	62 Å²	62	86.7 Å²	86.7	51%	0.512	45%	0.447	S	S	.	.	H	α-helix	trans	-63.2	-40.1	176.5	0	0	0	0	0	112.2	K546 K547 A553 C554	K546-A550 PolarHBondContact O-N 2.71Å; K546-A550 VanDerWaalsContact O-N 3.1Å; K547-A550 PolarHBondContact O-N 3.2Å; A550-A553 PolarHBondContact O-N 3.36Å; A550-C554 WeakPolarHBondContact O-CB 3.45Å; A550-C554 PolarHBondContact O-N 2.96Å
551	Q	85.3	Confident	83.2	Confident	62 Å²	62	84.9 Å²	84.9	29%	0.29	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-41.6	176	-173.1	-178.8	27.5	0	0	111.8	K547 R548 L549 C554 R555	K547-Q551 WeakPolarHBondContact O-CB 3.19Å; K547-Q551 PolarHBondContact O-N 2.9Å; R548-Q551 PolarHBondContact O-N 3.47Å; L549-Q551 VanDerWaalsContact C-N 3.34Å; L549-Q551 PolarHBondContact O-N 3.44Å; Q551-C554 PolarHBondContact O-N 2.63Å; Q551-R555 HydrophobicContact CG-CG 4.38Å; Q551-R555 WeakPolarHBondContact O-CB 3.37Å; Q551-R555 WeakPolarHBondContact O-CG 3.46Å; Q551-R555 PolarHBondContact O-N 3.45Å
552	F	88.7	Confident	85	Confident	4 Å²	4	79.1 Å²	79.1	2%	0.018	40%	0.397	C	S	.	.	H	α-helix	trans	-60.2	-51.4	175.7	-172.3	-81.7	0	0	0	110.6	V529 M530 F533 R548 L549 C554 R555 F556 L558	V529-F552 HydrophobicContact CG1-CE2 4.31Å; M530-F552 HydrophobicContact CB-CE1 4.02Å; M530-F552 HydrophobicContact CB-CE2 4.04Å; M530-F552 HydrophobicContact CB-CZ 3.7Å; M530-F552 HydrophobicContact CE-CD1 3.48Å; M530-F552 VanDerWaalsContact CE-CD1 3.48Å; M530-F552 HydrophobicContact CE-CE1 3.42Å; M530-F552 VanDerWaalsContact CE-CE1 3.42Å; M530-F552 HydrophobicContact CE-CG 4.4Å; M530-F552 HydrophobicContact CE-CZ 4.29Å; M530-F552 HydrophobicContact CG-CD1 4.33Å; M530-F552 HydrophobicContact CG-CE1 4.22Å; M530-F552 HydrophobicContact CG-CE2 4.4Å; M530-F552 HydrophobicContact CG-CG 4.48Å; M530-F552 HydrophobicContact CG-CZ 4.26Å; F533-F552 HydrophobicContact CB-CD2 4.25Å; F533-F552 HydrophobicContact CB-CE2 4.27Å; F533-F552 HydrophobicContact CD1-CB 4.35Å; F533-F552 AromaticContact CD1-CD2 3.69Å; F533-F552 HydrophobicContact CD1-CD2 3.69Å; F533-F552 HydrophobicContact CD1-CG 4.44Å; F533-F552 HydrophobicContact CE1-CB 4.2Å; F533-F552 HydrophobicContact CE1-CD2 4.23Å; F533-F552 AromaticContact CG-CD2 3.99Å; F533-F552 HydrophobicContact CG-CD2 3.99Å; F533-F552 HydrophobicContact CG-CE2 4.46Å; R548-F552 WeakPolarHBondContact O-CB 3.45Å; R548-F552 PolarHBondContact O-N 3.1Å; L549-F552 PolarHBondContact O-N 3.2Å; F552-C554 VanDerWaalsContact C-N 3.29Å; F552-C554 PolarHBondContact O-N 3.1Å; F552-R555 PolarHBondContact O-N 3.5Å; F552-F556 AromaticContact CD1-CD2 3.86Å; F552-F556 HydrophobicContact CD1-CD2 3.86Å; F552-F556 HydrophobicContact CD1-CE2 4.39Å; F552-F556 AromaticContact CD2-CD2 3.99Å; F552-F556 HydrophobicContact CD2-CD2 3.99Å; F552-F556 AromaticContact CD2-CE2 3.7Å; F552-F556 HydrophobicContact CD2-CE2 3.7Å; F552-F556 AromaticContact CE1-CD2 3.69Å; F552-F556 HydrophobicContact CE1-CD2 3.69Å; F552-F556 HydrophobicContact CE1-CE2 4.11Å; F552-F556 HydrophobicContact CE1-CG 4.49Å; F552-F556 AromaticContact CE2-CD2 3.83Å; F552-F556 HydrophobicContact CE2-CD2 3.83Å; F552-F556 AromaticContact CE2-CE2 3.38Å; F552-F556 HydrophobicContact CE2-CE2 3.38Å; F552-F556 HydrophobicContact CE2-CZ 4.3Å; F552-F556 HydrophobicContact CG-CD2 4.01Å; F552-F556 HydrophobicContact CG-CE2 4.21Å; F552-F556 AromaticContact CZ-CD2 3.68Å; F552-F556 HydrophobicContact CZ-CD2 3.68Å; F552-F556 AromaticContact CZ-CE2 3.6Å; F552-F556 HydrophobicContact CZ-CE2 3.6Å; F552-F556 HydrophobicContact CZ-CZ 4.45Å; F552-F556 WeakPolarHBondContact O-CD2 3.29Å; F552-F556 PolarHBondContact O-N 3.04Å; F552-F556 VanDerWaalsContact O-N 3.12Å; F552-L558 HydrophobicContact CD1-CD1 4.2Å; F552-L558 HydrophobicContact CE1-CD1 4Å
553	A	89.5	Confident	86.7	Confident	18 Å²	18	71 Å²	71	15%	0.149	36%	0.362	C	S	.	.	H	α-helix	trans	-56	-44.1	177.7	0	0	0	0	0	112.1	L549 A550 G557 L558 F563	L549-A553 PolarHBondContact O-N 2.95Å; A550-A553 PolarHBondContact O-N 3.36Å; A553-G557 PolarHBondContact O-N 3.29Å; A553-G557 VanDerWaalsContact O-N 3.14Å; A553-L558 PolarHBondContact O-N 3.24Å; A553-F563 HydrophobicContact CB-CD2 3.6Å; A553-F563 HydrophobicContact CB-CE2 3.87Å; A553-F563 HydrophobicContact CB-CG 4.04Å
554	C	88.9	Confident	88	Confident	104 Å²	104	69.1 Å²	69.1	70%	0.703	35%	0.351	S	S	*	.	H	α-helix	trans	-65.9	-47.4	178.7	-173.4	0	0	0	0	112.5	A550 Q551 F552 F556 G557	A550-C554 WeakPolarHBondContact O-CB 3.45Å; A550-C554 PolarHBondContact O-N 2.96Å; Q551-C554 PolarHBondContact O-N 2.63Å; F552-C554 VanDerWaalsContact C-N 3.29Å; F552-C554 PolarHBondContact O-N 3.1Å; C554-F556 VanDerWaalsContact C-N 3.29Å; C554-F556 PolarHBondContact O-N 3.09Å; C554-G557 PolarHBondContact O-N 3.17Å; C554-G557 VanDerWaalsContact O-N 3.12Å
555	R	87.6	Confident	88.6	Confident	167 Å²	167	64.3 Å²	64.3	63%	0.63	33%	0.326	S	S	*	.	H	α-helix	trans	-60.8	-36.8	-178.8	-83.1	-175.9	170.2	170.8	-3.1	113.1	Q551 F552	Q551-R555 HydrophobicContact CG-CG 4.38Å; Q551-R555 WeakPolarHBondContact O-CB 3.37Å; Q551-R555 WeakPolarHBondContact O-CG 3.46Å; Q551-R555 PolarHBondContact O-N 3.45Å; F552-R555 PolarHBondContact O-N 3.5Å
556	F	87.3	Confident	89.2	Confident	97 Å²	97	59.1 Å²	59.1	43%	0.425	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	5.9	179.9	-68.6	-75	0	0	0	113.4	F526 F552 C554 L558	F526-F556 HydrophobicContact CE1-CB 4.09Å; F526-F556 AromaticContact CE1-CD1 3.5Å; F526-F556 HydrophobicContact CE1-CD1 3.5Å; F526-F556 VanDerWaalsContact CE1-CD1 3.5Å; F526-F556 HydrophobicContact CE1-CE1 4Å; F526-F556 AromaticContact CE1-CG 3.81Å; F526-F556 HydrophobicContact CE1-CG 3.81Å; F526-F556 AromaticContact CZ-CD1 3.96Å; F526-F556 HydrophobicContact CZ-CD1 3.96Å; F526-F556 HydrophobicContact CZ-CE1 4.32Å; F552-F556 AromaticContact CD1-CD2 3.86Å; F552-F556 HydrophobicContact CD1-CD2 3.86Å; F552-F556 HydrophobicContact CD1-CE2 4.39Å; F552-F556 AromaticContact CD2-CD2 3.99Å; F552-F556 HydrophobicContact CD2-CD2 3.99Å; F552-F556 AromaticContact CD2-CE2 3.7Å; F552-F556 HydrophobicContact CD2-CE2 3.7Å; F552-F556 AromaticContact CE1-CD2 3.69Å; F552-F556 HydrophobicContact CE1-CD2 3.69Å; F552-F556 HydrophobicContact CE1-CE2 4.11Å; F552-F556 HydrophobicContact CE1-CG 4.49Å; F552-F556 AromaticContact CE2-CD2 3.83Å; F552-F556 HydrophobicContact CE2-CD2 3.83Å; F552-F556 AromaticContact CE2-CE2 3.38Å; F552-F556 HydrophobicContact CE2-CE2 3.38Å; F552-F556 HydrophobicContact CE2-CZ 4.3Å; F552-F556 HydrophobicContact CG-CD2 4.01Å; F552-F556 HydrophobicContact CG-CE2 4.21Å; F552-F556 AromaticContact CZ-CD2 3.68Å; F552-F556 HydrophobicContact CZ-CD2 3.68Å; F552-F556 AromaticContact CZ-CE2 3.6Å; F552-F556 HydrophobicContact CZ-CE2 3.6Å; F552-F556 HydrophobicContact CZ-CZ 4.45Å; F552-F556 WeakPolarHBondContact O-CD2 3.29Å; F552-F556 PolarHBondContact O-N 3.04Å; F552-F556 VanDerWaalsContact O-N 3.12Å; C554-F556 VanDerWaalsContact C-N 3.29Å; C554-F556 PolarHBondContact O-N 3.09Å; F556-L558 HydrophobicContact CB-CD1 4.19Å; F556-L558 HydrophobicContact CB-CD2 4.45Å; F556-L558 HydrophobicContact CB-CG 3.88Å; F556-L558 PolarHBondContact O-N 3.45Å
557	G	89.5	Confident	89.6	Confident	69 Å²	69	56.2 Å²	56.2	71%	0.711	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	31.4	178.5	0	0	0	0	0	113.6	A553 C554 H559	A553-G557 PolarHBondContact O-N 3.29Å; A553-G557 VanDerWaalsContact O-N 3.14Å; C554-G557 PolarHBondContact O-N 3.17Å; C554-G557 VanDerWaalsContact O-N 3.12Å; G557-H559 PolarHBondContact O-N 3.49Å
558	L	89.5	Confident	89.9	Confident	32 Å²	32	50 Å²	50	17%	0.168	26%	0.261	C	S	.	.			trans	-77	126.7	-173.6	-64.5	174.7	0	0	0	110.8	F552 A553 F556 F563 I566	F552-L558 HydrophobicContact CD1-CD1 4.2Å; F552-L558 HydrophobicContact CE1-CD1 4Å; A553-L558 PolarHBondContact O-N 3.24Å; F556-L558 HydrophobicContact CB-CD1 4.19Å; F556-L558 HydrophobicContact CB-CD2 4.45Å; F556-L558 HydrophobicContact CB-CG 3.88Å; F556-L558 PolarHBondContact O-N 3.45Å; L558-F563 HydrophobicContact CB-CB 4.17Å; L558-F563 HydrophobicContact CD1-CD2 4.14Å; L558-I566 HydrophobicContact CD1-CD1 3.8Å; L558-I566 HydrophobicContact CD2-CD1 3.81Å; L558-I566 HydrophobicContact CG-CD1 4.45Å
559	H	93.3	Very high	90.1	Very high	74 Å²	74	49.6 Å²	49.6	34%	0.343	26%	0.259	S	S	.	.			trans	-60.9	147.1	169.6	-174.9	-84	0	0	0	110.2	S492 G493 G557 H561 D562 F563	S492-H559 PolarHBondContact OG-CE1 3.22Å; S492-H559 PolarHBondContact OG-NE2 2.77Å; G493-H559 WeakPolarHBondContact CA-ND1 3.32Å; G557-H559 PolarHBondContact O-N 3.49Å; H559-H561 VanDerWaalsContact C-N 3.29Å; H559-H561 AromaticContact CE1-CE1 3.95Å; H559-H561 AromaticContact CE1-CG 3.84Å; H559-H561 AromaticContact CE1-ND1 3.29Å; H559-H561 PolarHBondContact CE1-ND1 3.07Å; H559-H561 VanDerWaalsContact CE1-ND1 3.29Å; H559-H561 AromaticContact ND1-CG 3.92Å; H559-H561 PolarHBondContact ND1-N 3.37Å; H559-H561 VanDerWaalsContact ND1-N 3.17Å; H559-H561 AromaticContact ND1-ND1 3.74Å; H559-H561 PolarHBondContact O-N 3.08Å; H559-H561 VanDerWaalsContact O-N 3.15Å; H559-D562 HydrophobicContact CB-CB 4.33Å; H559-D562 WeakPolarHBondContact O-CB 3.49Å; H559-D562 PolarHBondContact O-N 2.97Å; H559-F563 PolarHBondContact O-N 3.46Å
560	K	92.4	Very high	90.1	Very high	135 Å²	135	49.1 Å²	49.1	59%	0.587	26%	0.256	S	S	*	.	H	α-helix	trans	-47.3	-47.6	-178	-177.8	-174	174.6	-169.2	0	113.5	K564	K560-K564 PolarHBondContact O-N 3.08Å
561	H	93.5	Very high	90.1	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-35.8	179.5	-58.9	136.2	0	0	0	113.3	Y395 Y491 S492 H559 K564 I565	Y395-H561 HydrophobicContact CE2-CB 3.91Å; Y395-H561 AromaticContact CZ-CD2 3.94Å; Y395-H561 PolarHBondContact OH-CD2 3.08Å; Y491-H561 HydrophobicContact CD2-CB 3.65Å; Y491-H561 HydrophobicContact CE2-CB 3.73Å; S492-H561 PolarHBondContact N-ND1 3.05Å; S492-H561 PolarHBondContact OG-CE1 2.84Å; S492-H561 PolarHBondContact OG-ND1 2.91Å; H559-H561 VanDerWaalsContact C-N 3.29Å; H559-H561 AromaticContact CE1-CE1 3.95Å; H559-H561 AromaticContact CE1-CG 3.84Å; H559-H561 AromaticContact CE1-ND1 3.29Å; H559-H561 PolarHBondContact CE1-ND1 3.07Å; H559-H561 VanDerWaalsContact CE1-ND1 3.29Å; H559-H561 AromaticContact ND1-CG 3.92Å; H559-H561 PolarHBondContact ND1-N 3.37Å; H559-H561 VanDerWaalsContact ND1-N 3.17Å; H559-H561 AromaticContact ND1-ND1 3.74Å; H559-H561 PolarHBondContact O-N 3.08Å; H559-H561 VanDerWaalsContact O-N 3.15Å; H561-K564 PolarHBondContact O-N 3.46Å; H561-I565 PolarHBondContact O-N 2.98Å
562	D	92.8	Very high	90	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-67.6	-42.2	177.1	-66.5	-19.8	0	0	0	110.5	Y491 G493 S494 I495 H559 K564 I565 I566	Y491-D562 WeakPolarHBondContact CE2-OD1 3.31Å; Y491-D562 PolarHBondContact OH-OD1 3.15Å; G493-D562 WeakPolarHBondContact CA-OD1 3.5Å; S494-D562 PolarHBondContact N-OD1 3.47Å; S494-D562 PolarHBondContact N-OD2 2.88Å; S494-D562 PolarHBondContact OG-OD2 2.99Å; I495-D562 HydrophobicContact CD1-CB 3.6Å; I495-D562 HydrophobicContact CG1-CB 3.94Å; I495-D562 VanDerWaalsContact CG1-CG 3.48Å; I495-D562 WeakPolarHBondContact CG1-OD1 3.36Å; I495-D562 PolarHBondContact N-OD1 2.91Å; H559-D562 HydrophobicContact CB-CB 4.33Å; H559-D562 WeakPolarHBondContact O-CB 3.49Å; H559-D562 PolarHBondContact O-N 2.97Å; D562-K564 VanDerWaalsContact C-N 3.26Å; D562-K564 PolarHBondContact O-N 3.25Å; D562-I565 PolarHBondContact O-N 3.36Å; D562-I566 WeakPolarHBondContact O-CG1 3.42Å; D562-I566 PolarHBondContact O-N 3.27Å; D562-I566 VanDerWaalsContact O-N 3.1Å
563	F	92.7	Very high	89.5	Confident	27 Å²	27	45.5 Å²	45.5	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-36.9	174.4	176.3	-100.5	0	0	0	112.4	M530 L549 A553 L558 H559 I566 R567	M530-F563 HydrophobicContact CE-CD2 3.75Å; M530-F563 HydrophobicContact CE-CE2 3.43Å; M530-F563 VanDerWaalsContact CE-CE2 3.43Å; M530-F563 HydrophobicContact CE-CZ 4.37Å; M530-F563 HydrophobicContact SD-CE2 4.27Å; L549-F563 HydrophobicContact CB-CZ 3.93Å; L549-F563 HydrophobicContact CD2-CE2 4.44Å; L549-F563 HydrophobicContact CD2-CZ 3.93Å; L549-F563 HydrophobicContact CG-CZ 4.4Å; A553-F563 HydrophobicContact CB-CD2 3.6Å; A553-F563 HydrophobicContact CB-CE2 3.87Å; A553-F563 HydrophobicContact CB-CG 4.04Å; L558-F563 HydrophobicContact CB-CB 4.17Å; L558-F563 HydrophobicContact CD1-CD2 4.14Å; H559-F563 PolarHBondContact O-N 3.46Å; F563-I566 PolarHBondContact O-N 3.23Å; F563-R567 HydrophobicContact CE1-CB 4.46Å; F563-R567 WeakPolarHBondContact O-CB 3.43Å; F563-R567 PolarHBondContact O-N 2.76Å
564	K	92.3	Very high	89	Confident	36 Å²	36	46.1 Å²	46.1	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-41.4	176.1	-76.9	-170	172.3	-153.3	0	113	Y395 I399 K560 H561 D562 R567 Y568 D598 E600	Y395-K564 WeakPolarHBondContact OH-CD 3.47Å; I399-K564 HydrophobicContact CG2-CB 4.09Å; K560-K564 PolarHBondContact O-N 3.08Å; H561-K564 PolarHBondContact O-N 3.46Å; D562-K564 VanDerWaalsContact C-N 3.26Å; D562-K564 PolarHBondContact O-N 3.25Å; K564-R567 PolarHBondContact O-N 3.39Å; K564-Y568 PolarHBondContact O-N 2.84Å; K564-D598 WeakPolarHBondContact CE-OD2 3.49Å; K564-D598 IonicContact NZ-OD1 3.56Å; K564-D598 IonicContact NZ-OD2 2.64Å; K564-D598 PolarHBondContact NZ-OD2 3.5Å; K564-E600 WeakPolarHBondContact CE-OE1 3.35Å; K564-E600 IonicContact NZ-OE1 3.62Å; K564-E600 PolarHBondContact NZ-OE1 2.94Å
565	I	92.5	Very high	88.1	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-52.8	175.6	-63.7	165.8	0	0	0	109.7	Y395 L398 I399 Y491 I495 L496 H561 D562 R567 Y568 I569	Y395-I565 HydrophobicContact CD2-CD1 4.05Å; Y395-I565 HydrophobicContact CD2-CG1 4.04Å; Y395-I565 HydrophobicContact CE2-CG1 4.25Å; L398-I565 HydrophobicContact CB-CD1 4.41Å; L398-I565 HydrophobicContact CB-CG1 4.1Å; L398-I565 HydrophobicContact CB-CG2 4.02Å; L398-I565 HydrophobicContact CD1-CD1 4.44Å; I399-I565 HydrophobicContact CG2-CG1 3.8Å; Y491-I565 HydrophobicContact CE2-CD1 4.16Å; I495-I565 HydrophobicContact CD1-CD1 4.3Å; L496-I565 HydrophobicContact CD1-CD1 4.4Å; H561-I565 PolarHBondContact O-N 2.98Å; D562-I565 PolarHBondContact O-N 3.36Å; I565-R567 VanDerWaalsContact C-N 3.3Å; I565-R567 PolarHBondContact O-N 3.02Å; I565-Y568 PolarHBondContact O-N 3.46Å; I565-I569 HydrophobicContact CG2-CD1 3.9Å; I565-I569 WeakPolarHBondContact O-CD1 3.47Å; I565-I569 WeakPolarHBondContact O-CG1 3.35Å; I565-I569 PolarHBondContact O-N 3.29Å
566	I	91.5	Very high	87	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-42.7	-177.9	-63.6	167.3	0	0	0	110.6	Y523 F526 A527 M530 L558 D562 F563 I569 A570	Y523-I566 HydrophobicContact CD1-CD1 4.26Å; F526-I566 HydrophobicContact CB-CD1 4.36Å; F526-I566 HydrophobicContact CB-CG2 4.28Å; A527-I566 HydrophobicContact CB-CG2 3.98Å; A527-I566 WeakPolarHBondContact CB-O 3.45Å; M530-I566 HydrophobicContact CE-CB 4.22Å; M530-I566 HydrophobicContact CE-CG2 3.53Å; M530-I566 HydrophobicContact SD-CG2 4.38Å; L558-I566 HydrophobicContact CD1-CD1 3.8Å; L558-I566 HydrophobicContact CD2-CD1 3.81Å; L558-I566 HydrophobicContact CG-CD1 4.45Å; D562-I566 WeakPolarHBondContact O-CG1 3.42Å; D562-I566 PolarHBondContact O-N 3.27Å; D562-I566 VanDerWaalsContact O-N 3.1Å; F563-I566 PolarHBondContact O-N 3.23Å; I566-I569 PolarHBondContact O-N 2.97Å; I566-A570 WeakPolarHBondContact O-CB 3.48Å; I566-A570 PolarHBondContact O-N 3.37Å
567	R	91.1	Very high	85.5	Confident	104 Å²	104	36 Å²	36	39%	0.392	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-44.1	178	178.6	176.4	172.6	-178.7	-2.4	112.1	M530 F563 K564 I565 I569 A570 D571	M530-R567 HydrophobicContact SD-CB 4.27Å; F563-R567 HydrophobicContact CE1-CB 4.46Å; F563-R567 WeakPolarHBondContact O-CB 3.43Å; F563-R567 PolarHBondContact O-N 2.76Å; K564-R567 PolarHBondContact O-N 3.39Å; I565-R567 VanDerWaalsContact C-N 3.3Å; I565-R567 PolarHBondContact O-N 3.02Å; R567-I569 VanDerWaalsContact C-N 3.3Å; R567-I569 PolarHBondContact O-N 3.04Å; R567-A570 PolarHBondContact O-N 3.28Å; R567-A570 VanDerWaalsContact O-N 3.16Å; R567-D571 IonicContact NE-OD2 2.63Å; R567-D571 PolarHBondContact O-N 3.33Å
568	Y	90.9	Very high	83.6	Confident	11 Å²	11	37.6 Å²	37.6	4%	0.043	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-44.3	177.8	176	-114.7	0	0	0	111.5	L398 I399 G400 P427 K564 I565 A570 D571 L572 V596	L398-Y568 VanDerWaalsContact O-CD1 3.3Å; L398-Y568 WeakPolarHBondContact O-CD1 3.25Å; I399-Y568 VanDerWaalsContact C-CD1 3.5Å; I399-Y568 WeakPolarHBondContact O-CD2 3.18Å; G400-Y568 VanDerWaalsContact CA-CE1 3.42Å; P427-Y568 HydrophobicContact CB-CD1 4.45Å; P427-Y568 HydrophobicContact CB-CE1 3.99Å; P427-Y568 HydrophobicContact CG-CD1 4.35Å; P427-Y568 HydrophobicContact CG-CE1 4.09Å; K564-Y568 PolarHBondContact O-N 2.84Å; I565-Y568 PolarHBondContact O-N 3.46Å; Y568-A570 VanDerWaalsContact C-N 3.34Å; Y568-A570 PolarHBondContact O-N 3.04Å; Y568-D571 PolarHBondContact O-N 3.13Å; Y568-L572 HydrophobicContact CD1-CD1 4.29Å; Y568-L572 HydrophobicContact CE1-CD1 3.75Å; Y568-L572 HydrophobicContact CE1-CG 4.32Å; Y568-L572 HydrophobicContact CE2-CD2 4.39Å; Y568-L572 HydrophobicContact CE2-CG 4.32Å; Y568-L572 WeakPolarHBondContact O-CG 2.95Å; Y568-L572 PolarHBondContact O-N 2.91Å; Y568-V596 HydrophobicContact CD2-CG2 3.64Å; Y568-V596 HydrophobicContact CE2-CG2 3.73Å
569	I	89.1	Confident	81.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-39.8	176.7	-59.8	156.9	0	0	0	110.9	V333 F524 A527 I565 I566 R567 L572 I573	V333-I569 HydrophobicContact CG1-CG2 4.36Å; F524-I569 HydrophobicContact CD1-CG2 3.67Å; F524-I569 HydrophobicContact CD2-CD1 3.63Å; F524-I569 HydrophobicContact CE1-CD1 4.26Å; F524-I569 HydrophobicContact CE1-CG1 4.18Å; F524-I569 HydrophobicContact CE1-CG2 3.76Å; F524-I569 HydrophobicContact CE2-CD1 3.25Å; F524-I569 HydrophobicContact CE2-CG1 3.98Å; F524-I569 HydrophobicContact CG-CD1 4.24Å; F524-I569 HydrophobicContact CG-CG2 4.08Å; F524-I569 HydrophobicContact CZ-CD1 3.6Å; F524-I569 HydrophobicContact CZ-CG1 3.77Å; F524-I569 HydrophobicContact CZ-CG2 4.21Å; A527-I569 HydrophobicContact CB-CB 3.6Å; A527-I569 HydrophobicContact CB-CG2 3.44Å; A527-I569 VanDerWaalsContact CB-CG2 3.44Å; I565-I569 HydrophobicContact CG2-CD1 3.9Å; I565-I569 WeakPolarHBondContact O-CD1 3.47Å; I565-I569 WeakPolarHBondContact O-CG1 3.35Å; I565-I569 PolarHBondContact O-N 3.29Å; I566-I569 PolarHBondContact O-N 2.97Å; R567-I569 VanDerWaalsContact C-N 3.3Å; R567-I569 PolarHBondContact O-N 3.04Å; I569-L572 WeakPolarHBondContact O-CB 3.29Å; I569-L572 PolarHBondContact O-N 3.48Å; I569-I573 WeakPolarHBondContact O-CG1 3.26Å; I569-I573 PolarHBondContact O-N 2.82Å; I569-I573 VanDerWaalsContact O-N 3.12Å
570	A	87.6	Confident	79	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-38.2	176.7	0	0	0	0	0	112.4	A527 M530 A531 I566 R567 Y568 L572 I573 H574	A527-A570 HydrophobicContact CB-CB 4.26Å; A527-A570 WeakPolarHBondContact O-CB 3.35Å; M530-A570 HydrophobicContact CB-CB 4.25Å; M530-A570 HydrophobicContact CG-CB 4.32Å; M530-A570 HydrophobicContact SD-CB 4.04Å; A531-A570 HydrophobicContact CB-CB 4.35Å; I566-A570 WeakPolarHBondContact O-CB 3.48Å; I566-A570 PolarHBondContact O-N 3.37Å; R567-A570 PolarHBondContact O-N 3.28Å; R567-A570 VanDerWaalsContact O-N 3.16Å; Y568-A570 VanDerWaalsContact C-N 3.34Å; Y568-A570 PolarHBondContact O-N 3.04Å; A570-L572 VanDerWaalsContact C-N 3.32Å; A570-L572 PolarHBondContact O-N 3.29Å; A570-I573 WeakPolarHBondContact O-CB 3.32Å; A570-I573 PolarHBondContact O-N 3.15Å; A570-H574 PolarHBondContact O-CD2 3.4Å; A570-H574 PolarHBondContact O-N 3.03Å; A570-H574 VanDerWaalsContact O-N 3.11Å
571	D	86	Confident	76.4	Confident	45 Å²	45	41.9 Å²	41.9	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-35.3	174.9	-70.5	-30.6	0	0	0	110.8	R567 Y568 H574 A575	R567-D571 IonicContact NE-OD2 2.63Å; R567-D571 PolarHBondContact O-N 3.33Å; Y568-D571 PolarHBondContact O-N 3.13Å; D571-H574 PolarHBondContact O-N 3.18Å; D571-A575 WeakPolarHBondContact O-CB 3.41Å; D571-A575 PolarHBondContact O-N 3.48Å
572	L	83.2	Confident	74	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-38.7	171.2	-71.5	176.1	0	0	0	112.8	P427 V429 Y568 I569 A570	P427-L572 HydrophobicContact CB-CD1 3.83Å; V429-L572 HydrophobicContact CG1-CB 4.25Å; Y568-L572 HydrophobicContact CD1-CD1 4.29Å; Y568-L572 HydrophobicContact CE1-CD1 3.75Å; Y568-L572 HydrophobicContact CE1-CG 4.32Å; Y568-L572 HydrophobicContact CE2-CD2 4.39Å; Y568-L572 HydrophobicContact CE2-CG 4.32Å; Y568-L572 WeakPolarHBondContact O-CG 2.95Å; Y568-L572 PolarHBondContact O-N 2.91Å; I569-L572 WeakPolarHBondContact O-CB 3.29Å; I569-L572 PolarHBondContact O-N 3.48Å; A570-L572 VanDerWaalsContact C-N 3.32Å; A570-L572 PolarHBondContact O-N 3.29Å
573	I	79.3	Confident	71.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-49.1	177	-67.1	167.6	0	0	0	109.9	V333 L341 Y343 A527 A531 I569 A570 A575 Q576	V333-I573 HydrophobicContact CG2-CD1 4.34Å; V333-I573 HydrophobicContact CG2-CG1 3.51Å; L341-I573 HydrophobicContact CD2-CD1 3.46Å; L341-I573 VanDerWaalsContact CD2-CD1 3.46Å; L341-I573 HydrophobicContact CD2-CG1 4.14Å; Y343-I573 HydrophobicContact CD2-CG2 4.42Å; Y343-I573 HydrophobicContact CE1-CG1 4.29Å; Y343-I573 HydrophobicContact CE1-CG2 4.18Å; Y343-I573 HydrophobicContact CE2-CG2 3.88Å; Y343-I573 PolarHBondContact OH-O 2.82Å; A527-I573 HydrophobicContact CB-CD1 4.38Å; A531-I573 HydrophobicContact CB-CB 4.3Å; A531-I573 HydrophobicContact CB-CD1 4.46Å; A531-I573 HydrophobicContact CB-CG2 3.97Å; I569-I573 WeakPolarHBondContact O-CG1 3.26Å; I569-I573 PolarHBondContact O-N 2.82Å; I569-I573 VanDerWaalsContact O-N 3.12Å; A570-I573 WeakPolarHBondContact O-CB 3.32Å; A570-I573 PolarHBondContact O-N 3.15Å; I573-A575 PolarHBondContact O-N 3.49Å; I573-Q576 PolarHBondContact O-N 3.46Å
574	H	77.5	Confident	69.3	Low	30 Å²	30	55.1 Å²	55.1	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-33.9	-179.4	-76.7	-45.9	0	0	0	114	A531 T535 A570 D571 Q576 E577	A531-H574 WeakPolarHBondContact CA-NE2 3.47Å; A531-H574 PolarHBondContact O-CE1 2.97Å; A531-H574 PolarHBondContact O-NE2 3.2Å; T535-H574 WeakPolarHBondContact CG2-CE1 3.47Å; A570-H574 PolarHBondContact O-CD2 3.4Å; A570-H574 PolarHBondContact O-N 3.03Å; A570-H574 VanDerWaalsContact O-N 3.11Å; D571-H574 PolarHBondContact O-N 3.18Å; H574-Q576 PolarHBondContact O-N 3.23Å; H574-E577 IonicContact CE1-OE2 3.42Å; H574-E577 IonicContact ND1-OE2 2.71Å; H574-E577 PolarHBondContact ND1-OE2 3.33Å; H574-E577 PolarHBondContact O-N 2.92Å
575	A	69.9	Low	66.9	Low	27 Å²	27	59 Å²	59	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-25.4	178.6	0	0	0	0	0	112.5	D571 I573 A591 T594	D571-A575 WeakPolarHBondContact O-CB 3.41Å; D571-A575 PolarHBondContact O-N 3.48Å; I573-A575 PolarHBondContact O-N 3.49Å; A575-A591 HydrophobicContact CB-CB 4.31Å; A575-T594 HydrophobicContact CB-CG2 4.49Å
576	Q	64.7	Low	64.2	Low	54 Å²	54	65.6 Å²	65.6	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-82.6	-24.6	174.1	-63.9	-146.6	-63.7	0	0	114.1	S331 Y343 V429 I573 H574 S578	S331-Q576 PolarHBondContact OG-OE1 2.87Å; Y343-Q576 PolarHBondContact OH-OE1 3.42Å; V429-Q576 HydrophobicContact CB-CG 4.02Å; V429-Q576 HydrophobicContact CG1-CG 3.95Å; V429-Q576 HydrophobicContact CG2-CG 4.09Å; I573-Q576 PolarHBondContact O-N 3.46Å; H574-Q576 PolarHBondContact O-N 3.23Å; Q576-S578 VanDerWaalsContact C-N 3.3Å; Q576-S578 PolarHBondContact O-N 3.41Å
577	E	56.5	Low	61.5	Low	74 Å²	74	67.9 Å²	67.9	35%	0.346	38%	0.375	S	S	.	.	H	α-helix	trans	-78.3	-15.1	-176.4	-66.4	177	154.3	0	0	112.8	H574	H574-E577 IonicContact CE1-OE2 3.42Å; H574-E577 IonicContact ND1-OE2 2.71Å; H574-E577 PolarHBondContact ND1-OE2 3.33Å; H574-E577 PolarHBondContact O-N 2.92Å
578	S	50.6	Low	58.6	Low	104 Å²	104	67.3 Å²	67.3	73%	0.727	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	7.1	-172.3	-57.8	0	0	0	0	114.6	Q576 E580	Q576-S578 VanDerWaalsContact C-N 3.3Å; Q576-S578 PolarHBondContact O-N 3.41Å; S578-E580 VanDerWaalsContact C-N 3.32Å; S578-E580 PolarHBondContact O-N 2.71Å
579	E	48.5	Very low	55.9	Low	118 Å²	118	72.6 Å²	72.6	55%	0.551	42%	0.415	S	S	*	.			trans	-85.5	15.7	-179.5	-101.7	-171.1	177.6	0	0	114.9	D581	E579-D581 PolarHBondContact O-N 3.06Å
580	E	36.8	Very low	53.3	Low	125 Å²	125	74.8 Å²	74.8	58%	0.584	43%	0.431	S	S	*	.			trans	-99.1	72.4	178.7	-66.6	-169.5	173.9	0	0	113	S578	S578-E580 VanDerWaalsContact C-N 3.32Å; S578-E580 PolarHBondContact O-N 2.71Å
581	D	37.8	Very low	50.9	Low	88 Å²	88	75.5 Å²	75.5	47%	0.471	44%	0.437	S	S	.	.			trans	-139.4	98.8	146.2	-158.9	-19.6	0	0	0	110.9	E579 T583 S587	E579-D581 PolarHBondContact O-N 3.06Å; D581-T583 PolarHBondContact O-N 2.94Å; D581-T583 PolarHBondContact OD1-N 3.39Å; D581-T583 PolarHBondContact OD1-OG1 3.43Å; D581-S587 PolarHBondContact O-OG 3.1Å
582	P	42.1	Very low	48.6	Very low	134 Å²	134	76 Å²	76	87%	0.87	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	2	-175.1	28.1	-33.5	0	0	0	114.3
583	T	46	Very low	46.6	Very low	115 Å²	115	81.5 Å²	81.5	71%	0.706	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-9.1	-173.6	59.1	0	0	0	0	115.7	D581	D581-T583 PolarHBondContact O-N 2.94Å; D581-T583 PolarHBondContact OD1-N 3.39Å; D581-T583 PolarHBondContact OD1-OG1 3.43Å
584	D	41.3	Very low	45.2	Very low	83 Å²	83	83.1 Å²	83.1	44%	0.444	48%	0.475	S	S	.	.			trans	-115.4	106.9	-179.5	-165.7	-6.8	0	0	0	111.6	N586 S587	D584-N586 PolarHBondContact O-N 2.69Å; D584-N586 VanDerWaalsContact O-N 3.09Å; D584-N586 PolarHBondContact OD1-N 3.47Å; D584-N586 VanDerWaalsContact OD1-N 3.12Å; D584-S587 WeakPolarHBondContact O-CB 3.47Å; D584-S587 PolarHBondContact O-N 2.93Å; D584-S587 PolarHBondContact O-OG 3.01Å
585	P	42.7	Very low	43.9	Very low	117 Å²	117	83 Å²	83	76%	0.76	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.3	178.1	26.5	-32.9	0	0	0	113.5
586	N	34.8	Very low	43.2	Very low	140 Å²	140	83.9 Å²	83.9	75%	0.749	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	0.4	172.4	-71.1	-28.5	0	0	0	113.7	D584 S588	D584-N586 PolarHBondContact O-N 2.69Å; D584-N586 VanDerWaalsContact O-N 3.09Å; D584-N586 PolarHBondContact OD1-N 3.47Å; D584-N586 VanDerWaalsContact OD1-N 3.12Å; N586-S588 PolarHBondContact O-N 3.45Å
587	S	34.6	Very low	42.8	Very low	48 Å²	48	87.3 Å²	87.3	34%	0.336	49%	0.493	S	S	.	.			trans	-82.8	12.3	179.6	69.4	0	0	0	0	114.7	D581 D584 L589	D581-S587 PolarHBondContact O-OG 3.1Å; D584-S587 WeakPolarHBondContact O-CB 3.47Å; D584-S587 PolarHBondContact O-N 2.93Å; D584-S587 PolarHBondContact O-OG 3.01Å; S587-L589 PolarHBondContact O-N 2.94Å
588	S	31	Very low	43	Very low	93 Å²	93	87.2 Å²	87.2	65%	0.65	50%	0.495	S	S	*	.			trans	-70.9	60.5	167.8	56.4	0	0	0	0	111	N586 S590	N586-S588 PolarHBondContact O-N 3.45Å; S588-S590 PolarHBondContact O-N 3.09Å
589	L	33.2	Very low	43.8	Very low	121 Å²	121	89.4 Å²	89.4	63%	0.634	49%	0.488	S	S	*	.			trans	-68.1	81.3	163	-111.1	129	0	0	0	106.6	S587 A591 E593	S587-L589 PolarHBondContact O-N 2.94Å; L589-A591 PolarHBondContact O-N 3.06Å; L589-E593 WeakPolarHBondContact CD2-OE2 3.38Å
590	S	35.8	Very low	45	Very low	46 Å²	46	84.9 Å²	84.9	32%	0.322	47%	0.467	S	S	.	.			trans	-50.7	133	-178.1	67.8	0	0	0	0	109.7	S588 L592 E593	S588-S590 PolarHBondContact O-N 3.09Å; S590-L592 PolarHBondContact O-N 3.4Å; S590-L592 WeakPolarHBondContact OG-CB 3.43Å; S590-E593 PolarHBondContact O-N 2.85Å
591	A	37.1	Very low	47	Very low	16 Å²	16	85.3 Å²	85.3	13%	0.132	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-56.3	-4.6	170.1	0	0	0	0	0	113.7	V429 Y430 A575 L589 E593 T594	V429-A591 HydrophobicContact CG2-CB 4.44Å; Y430-A591 WeakPolarHBondContact OH-CB 3.22Å; A575-A591 HydrophobicContact CB-CB 4.31Å; L589-A591 PolarHBondContact O-N 3.06Å; A591-E593 VanDerWaalsContact C-N 3.26Å; A591-E593 PolarHBondContact O-N 3.04Å; A591-T594 PolarHBondContact O-OG1 3.45Å
592	L	37	Very low	49.2	Very low	56 Å²	56	82.8 Å²	82.8	29%	0.293	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-65	-23	167.7	-92.3	120.3	0	0	0	113.1	Y430 D450 S590 T594	Y430-L592 PolarHBondContact OH-N 3.31Å; D450-L592 HydrophobicContact CB-CD2 4.42Å; S590-L592 PolarHBondContact O-N 3.4Å; S590-L592 WeakPolarHBondContact OG-CB 3.43Å; L592-T594 PolarHBondContact O-N 2.87Å
593	E	41.1	Very low	51.3	Low	122 Å²	122	81.1 Å²	81.1	57%	0.57	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-77.7	2.7	-174.9	-71.6	-165.3	165	0	0	115.3	L589 S590 A591 V595	L589-E593 WeakPolarHBondContact CD2-OE2 3.38Å; S590-E593 PolarHBondContact O-N 2.85Å; A591-E593 VanDerWaalsContact C-N 3.26Å; A591-E593 PolarHBondContact O-N 3.04Å; E593-V595 PolarHBondContact O-N 3.15Å
594	T	49.4	Very low	53.2	Low	34 Å²	34	80.5 Å²	80.5	21%	0.209	43%	0.432	C	S	.	.			trans	-75	56.2	164	56.7	0	0	0	0	110.7	K452 A575 A591 L592 V596	K452-T594 PolarHBondContact NZ-O 2.93Å; A575-T594 HydrophobicContact CB-CG2 4.49Å; A591-T594 PolarHBondContact O-OG1 3.45Å; L592-T594 PolarHBondContact O-N 2.87Å; T594-V596 PolarHBondContact O-N 3.16Å
595	V	51.1	Low	55.4	Low	27 Å²	27	77.5 Å²	77.5	16%	0.164	42%	0.416	C	S	.	.			trans	-75.8	103.7	166.2	-169	0	0	0	0	106.8	I448 V449 E593 F597	I448-V595 HydrophobicContact CG2-CG1 4.27Å; V449-V595 HydrophobicContact CB-CG2 4.01Å; V449-V595 HydrophobicContact CG1-CG2 3.71Å; V449-V595 HydrophobicContact CG2-CG2 4.05Å; E593-V595 PolarHBondContact O-N 3.15Å; V595-F597 VanDerWaalsContact C-N 3.29Å; V595-F597 HydrophobicContact CB-CD2 3.99Å; V595-F597 HydrophobicContact CB-CE2 3.68Å; V595-F597 HydrophobicContact CB-CZ 4.44Å; V595-F597 HydrophobicContact CG1-CD2 3.64Å; V595-F597 HydrophobicContact CG1-CE1 4.23Å; V595-F597 HydrophobicContact CG1-CE2 3.22Å; V595-F597 HydrophobicContact CG1-CG 4.32Å; V595-F597 HydrophobicContact CG1-CZ 3.55Å; V595-F597 PolarHBondContact O-N 3.33Å
596	V	54.2	Low	57.4	Low	46 Å²	46	79.1 Å²	79.1	28%	0.279	41%	0.411	S	S	.	.			trans	-74.5	87.2	177.8	-178.4	0	0	0	0	108.3	Y568 T594 D598	Y568-V596 HydrophobicContact CD2-CG2 3.64Å; Y568-V596 HydrophobicContact CE2-CG2 3.73Å; T594-V596 PolarHBondContact O-N 3.16Å; V596-D598 HydrophobicContact CG1-CB 3.69Å; V596-D598 PolarHBondContact O-N 3.27Å
597	F	57.6	Low	59.4	Low	127 Å²	127	74.7 Å²	74.7	56%	0.557	39%	0.387	S	S	*	.			trans	-79.7	61	166.4	-71.3	-76.7	0	0	0	110.2	F475 V595	F475-F597 HydrophobicContact CB-CD1 4.26Å; F475-F597 HydrophobicContact CD1-CB 4.42Å; F475-F597 AromaticContact CD1-CD1 3.92Å; F475-F597 HydrophobicContact CD1-CD1 3.92Å; F475-F597 HydrophobicContact CD2-CD1 4.49Å; F475-F597 HydrophobicContact CE1-CD1 4.4Å; F475-F597 AromaticContact CG-CD1 3.96Å; F475-F597 HydrophobicContact CG-CD1 3.96Å; V595-F597 VanDerWaalsContact C-N 3.29Å; V595-F597 HydrophobicContact CB-CD2 3.99Å; V595-F597 HydrophobicContact CB-CE2 3.68Å; V595-F597 HydrophobicContact CB-CZ 4.44Å; V595-F597 HydrophobicContact CG1-CD2 3.64Å; V595-F597 HydrophobicContact CG1-CE1 4.23Å; V595-F597 HydrophobicContact CG1-CE2 3.22Å; V595-F597 HydrophobicContact CG1-CG 4.32Å; V595-F597 HydrophobicContact CG1-CZ 3.55Å; V595-F597 PolarHBondContact O-N 3.33Å
598	D	61.1	Low	60.7	Low	71 Å²	71	76 Å²	76	38%	0.38	39%	0.39	S	S	.	.			trans	-94.9	106.6	174.7	-149.1	1.1	0	0	0	108.2	K564 V596 E600	K564-D598 WeakPolarHBondContact CE-OD2 3.49Å; K564-D598 IonicContact NZ-OD1 3.56Å; K564-D598 IonicContact NZ-OD2 2.64Å; K564-D598 PolarHBondContact NZ-OD2 3.5Å; V596-D598 HydrophobicContact CG1-CB 3.69Å; V596-D598 PolarHBondContact O-N 3.27Å; D598-E600 PolarHBondContact O-N 3.11Å
599	Y	66.6	Low	62.2	Low	150 Å²	150	75.1 Å²	75.1	59%	0.588	38%	0.376	S	S	*	.			trans	-69.9	111.4	175.3	177.8	-93.1	0	0	0	108.6	P474	P474-Y599 HydrophobicContact CB-CD2 4.09Å; P474-Y599 HydrophobicContact CB-CE2 3.9Å
600	E	73.6	Confident	63.8	Low	23 Å²	23	72.6 Å²	72.6	11%	0.107	36%	0.362	C	S	.	.			trans	-120	140.2	168.4	-70.9	-164.6	144.7	0	0	108.6	Y395 P489 K564 D598 Q602	Y395-E600 PolarHBondContact OH-OE1 3.43Å; Y395-E600 PolarHBondContact OH-OE2 2.97Å; P489-E600 HydrophobicContact CB-CB 3.85Å; P489-E600 WeakPolarHBondContact CB-OE2 3.29Å; K564-E600 WeakPolarHBondContact CE-OE1 3.35Å; K564-E600 IonicContact NZ-OE1 3.62Å; K564-E600 PolarHBondContact NZ-OE1 2.94Å; D598-E600 PolarHBondContact O-N 3.11Å; E600-Q602 PolarHBondContact O-N 3.24Å
601	I	79.2	Confident	65.5	Low	134 Å²	134	74.1 Å²	74.1	69%	0.687	36%	0.364	S	S	*	.			trans	-57.6	113	173.9	-62.9	170.3	0	0	0	107.4
602	Q	82.8	Confident	67.2	Low	36 Å²	36	77.8 Å²	77.8	17%	0.168	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139.2	175.8	-57.9	-164.7	17.3	0	0	109.5	A473 P474 I476 S487 E600	A473-Q602 PolarHBondContact O-NE2 3.4Å; P474-Q602 PolarHBondContact O-NE2 3.03Å; I476-Q602 PolarHBondContact O-NE2 3.33Å; I476-Q602 PolarHBondContact O-OE1 3.42Å; S487-Q602 PolarHBondContact O-OE1 2.97Å; S487-Q602 PolarHBondContact OG-OE1 3.22Å; E600-Q602 PolarHBondContact O-N 3.24Å
603	K	86	Confident	69.3	Low	98 Å²	98	79.2 Å²	79.2	43%	0.426	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.7	166.9	-68.8	-163.7	-167.9	172.7	0	109.5	S487 A488 E490 L605	S487-K603 WeakPolarHBondContact CA-O 3.23Å; A488-K603 PolarHBondContact N-O 3.37Å; A488-K603 PolarHBondContact O-N 3.15Å; E490-K603 VanDerWaalsContact CD-CD 3.43Å; E490-K603 VanDerWaalsContact CD-CE 3.45Å; E490-K603 HydrophobicContact CG-CD 3.94Å; E490-K603 HydrophobicContact CG-CG 4.46Å; E490-K603 VanDerWaalsContact OE1-CD 3.22Å; E490-K603 WeakPolarHBondContact OE1-CD 3.27Å; E490-K603 IonicContact OE1-NZ 2.94Å; E490-K603 PolarHBondContact OE1-NZ 3.02Å; E490-K603 VanDerWaalsContact OE2-CE 3.23Å; E490-K603 WeakPolarHBondContact OE2-CE 3.24Å; E490-K603 IonicContact OE2-NZ 2.65Å; E490-K603 PolarHBondContact OE2-NZ 3.27Å; K603-L605 HydrophobicContact CB-CD2 4.28Å; K603-L605 HydrophobicContact CB-CG 4.3Å; K603-L605 PolarHBondContact O-N 3.37Å
604	V	87	Confident	71.3	Confident	103 Å²	103	76.1 Å²	76.1	62%	0.624	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.9	170.4	-175.5	0	0	0	0	107.7	F485 L486	F485-V604 HydrophobicContact CB-CG1 4.44Å; F485-V604 HydrophobicContact CD1-CG1 3.88Å; F485-V604 HydrophobicContact CG-CG1 4.43Å; L486-V604 CarbonylContact O-C 3.51Å; L486-V604 WeakPolarHBondContact O-CA 3.46Å
605	L	86.5	Confident	73	Confident	20 Å²	20	79.4 Å²	79.4	11%	0.105	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.7	-177.4	-60	173.7	0	0	0	108.7	T392 F485 L486 K603	T392-L605 HydrophobicContact CG2-CD1 4.26Å; F485-L605 CarbonylContact C-O 3.6Å; F485-L605 WeakPolarHBondContact CA-O 3.48Å; F485-L605 WeakPolarHBondContact CD1-O 3.25Å; L486-L605 PolarHBondContact N-O 2.71Å; L486-L605 PolarHBondContact O-N 3.26Å; K603-L605 HydrophobicContact CB-CD2 4.28Å; K603-L605 HydrophobicContact CB-CG 4.3Å; K603-L605 PolarHBondContact O-N 3.37Å
606	K	84.8	Confident	74.8	Confident	151 Å²	151	83.8 Å²	83.8	66%	0.657	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.6	169.6	-162.7	175.2	-178.2	179.4	0	109.4	F485	F485-K606 HydrophobicContact CD1-CB 4.26Å; F485-K606 HydrophobicContact CE1-CB 3.98Å; F485-K606 HydrophobicContact CE1-CG 4.15Å; F485-K606 HydrophobicContact CZ-CG 4.44Å
607	L	77.9	Confident	76.7	Confident	46 Å²	46	87.2 Å²	87.2	24%	0.241	41%	0.413	C	S	.	.			trans	-78.8	0	170	-77.2	158	0	0	0	109.1	P388 V479 N484 F485 L486	P388-L607 WeakPolarHBondContact CB-OXT 3.39Å; P388-L607 WeakPolarHBondContact CG-OXT 3.42Å; P388-L607 WeakPolarHBondContact O-CD2 3.39Å; V479-L607 HydrophobicContact CG1-CD1 3.76Å; N484-L607 HydrophobicContact CB-CB 4.21Å; N484-L607 PolarHBondContact O-N 2.93Å; F485-L607 WeakPolarHBondContact O-CD1 3.43Å; L486-L607 HydrophobicContact CB-CD1 4.16Å; L486-L607 HydrophobicContact CB-CD2 4.2Å; L486-L607 HydrophobicContact CB-CG 3.93Å

Retrieved 607 of 607 residues in 259.3 ms (Link to these results)

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