A0A087XQL9_POEFO Loading...

SAM-dependent MTase RsmB/NOP-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XQL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 608 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	Very low	28.1	Very low	231 Å²	231	164.3 Å²	164.3	100%	1.138	85%	0.846	S	S	*	*				0	90.3	0	-68.2	171.4	71.5	0	0	106.4
2	S	29.3	Very low	27.7	Very low	111 Å²	111	158.9 Å²	158.9	78%	0.776	83%	0.834	S	S	*	*				92.7	104.6	102.4	-55.6	0	0	0	0	109
3	S	26.9	Very low	27.6	Very low	109 Å²	109	162.2 Å²	162.2	76%	0.762	84%	0.843	S	S	*	*				61.4	113.4	96.1	178.7	0	0	0	0	110.2
4	E	29.2	Very low	27.3	Very low	189 Å²	189	166.9 Å²	166.9	88%	0.883	84%	0.844	S	S	*	*				-159.6	146.9	82.4	-91.1	175.4	150.4	0	0	114.1
5	K	30.2	Very low	27.7	Very low	201 Å²	201	168.8 Å²	168.8	87%	0.874	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-83.9	128	166	-71.2	171.3	172.9	176	0	108.7
6	E	27.8	Very low	27.6	Very low	203 Å²	203	172.4 Å²	172.4	95%	0.949	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-82.3	120.4	160.4	-84.5	-174.2	147.7	0	0	110.2
7	K	29.7	Very low	27.6	Very low	187 Å²	187	166.6 Å²	166.6	81%	0.813	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-82.9	149.4	170.2	-76.8	175.1	176.3	174.5	0	110
8	P	25.3	Very low	27.6	Very low	118 Å²	118	168.3 Å²	168.3	77%	0.766	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-75.6	129.6	171.4	31	-31	0	0	0	110.4	I10	P8-I10 PolarHBondContact O-N 3.39Å
9	I	25.8	Very low	27.7	Very low	152 Å²	152	169.6 Å²	169.6	78%	0.779	85%	0.851	S	S	*	*			trans	-81.5	113	171.6	-62	176.5	0	0	0	108.4	I11	I9-I11 HydrophobicContact CG2-CD1 4.38Å; I9-I11 HydrophobicContact CG2-CG1 3.83Å
10	I	26.8	Very low	27.7	Very low	160 Å²	160	164.1 Å²	164.1	82%	0.821	84%	0.838	S	S	*	*			trans	-74.1	119.9	164.6	-63.9	169.8	0	0	0	107.2	P8	P8-I10 PolarHBondContact O-N 3.39Å
11	I	25.6	Very low	27.9	Very low	146 Å²	146	164.5 Å²	164.5	75%	0.749	84%	0.843	S	S	*	*			trans	-110.8	117.5	164.9	-57.9	-176.5	0	0	0	108.2	I9	I9-I11 HydrophobicContact CG2-CD1 4.38Å; I9-I11 HydrophobicContact CG2-CG1 3.83Å
12	S	23.5	Very low	28.3	Very low	100 Å²	100	160.6 Å²	160.6	70%	0.699	82%	0.819	S	S	*	*			trans	-54.7	130	178.4	57.2	0	0	0	0	112.7	R14	S12-R14 PolarHBondContact O-N 3.4Å
13	Q	25.7	Very low	28.9	Very low	202 Å²	202	163.1 Å²	163.1	94%	0.944	82%	0.819	S	S	*	*			trans	-63.2	112.1	164.1	-76.8	179.7	-22.9	0	0	109.4
14	R	24	Very low	29.7	Very low	228 Å²	228	161.8 Å²	161.8	86%	0.86	81%	0.808	S	S	*	*			trans	-101.4	113	162	-155	174.3	-168.9	179.1	2.7	106.9	S12 R16	S12-R14 PolarHBondContact O-N 3.4Å; R14-R16 PolarHBondContact O-N 3.49Å
15	E	33.4	Very low	30.8	Very low	195 Å²	195	154.2 Å²	154.2	91%	0.911	77%	0.773	S	S	*	*			trans	-46.3	118.9	170.1	-67.9	175.8	144.1	0	0	109.6
16	R	25.3	Very low	31.5	Very low	226 Å²	226	149.6 Å²	149.6	85%	0.853	77%	0.766	S	S	*	*			trans	-122	103.9	167.6	-126.7	-175.8	-70.4	-139.9	2.8	106.4	R14 H18	R14-R16 PolarHBondContact O-N 3.49Å; R16-H18 PolarHBondContact O-N 3.3Å
17	G	27.6	Very low	32.3	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	74%	0.744	S	S	*	*			trans	-55.3	123.2	170.1	0	0	0	0	0	109.3	Q19	G17-Q19 VanDerWaalsContact C-N 3.26Å; G17-Q19 PolarHBondContact O-N 2.95Å
18	H	27.7	Very low	33.3	Very low	196 Å²	196	137 Å²	137	91%	0.907	72%	0.72	S	S	*	*			trans	-74.7	84	166.8	-86.9	-31	0	0	0	108.8	R16 G20	R16-H18 PolarHBondContact O-N 3.3Å; H18-G20 VanDerWaalsContact C-N 3.33Å; H18-G20 PolarHBondContact O-N 3.02Å
19	Q	29.1	Very low	34.2	Very low	193 Å²	193	138.4 Å²	138.4	90%	0.902	72%	0.72	S	S	*	*			trans	-74.4	97.1	147.5	-108.8	168.3	-2.4	0	0	105.9	G17	G17-Q19 VanDerWaalsContact C-N 3.26Å; G17-Q19 PolarHBondContact O-N 2.95Å
20	G	29.1	Very low	35.4	Very low	59 Å²	59	136.7 Å²	136.7	61%	0.608	72%	0.718	S	S	*	*			trans	-69.9	128.4	166.8	0	0	0	0	0	108.6	H18 K22	H18-G20 VanDerWaalsContact C-N 3.33Å; H18-G20 PolarHBondContact O-N 3.02Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.25Å
21	D	30.9	Very low	36.7	Very low	174 Å²	174	130 Å²	130	93%	0.93	68%	0.684	S	S	*	*			trans	-52	96.7	167.2	-89.7	-34.6	0	0	0	109.4
22	K	42.3	Very low	37.9	Very low	149 Å²	149	128 Å²	128	65%	0.648	68%	0.68	S	S	*	*			trans	-82.9	110.8	161.9	-70.4	-173	173	-163.8	0	105.6	G20 L217	G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.25Å; K22-L217 PolarHBondContact NZ-O 2.93Å
23	Q	40.8	Very low	39.5	Very low	163 Å²	163	129 Å²	129	76%	0.762	67%	0.674	S	S	*	*			trans	-54.1	126.1	161.8	-79.9	-160.9	-13.6	0	0	107.4	L25	Q23-L25 PolarHBondContact O-N 3.43Å
24	P	45	Very low	41	Very low	82 Å²	82	120.1 Å²	120.1	53%	0.532	63%	0.633	S	S	.	*			trans	-64.3	132.1	-180	26.3	-32.7	0	0	0	108.3	S26 S27	P24-S26 WeakPolarHBondContact CB-OG 3.33Å; P24-S26 PolarHBondContact O-N 2.79Å; P24-S27 PolarHBondContact O-N 3.49Å; P24-S27 PolarHBondContact O-OG 3.05Å
25	L	51.9	Low	42.4	Very low	29 Å²	29	115.9 Å²	115.9	15%	0.152	62%	0.622	C	S	.	*	G	3₁₀ helix	trans	-59.1	-11.4	179	-75.4	154.9	0	0	0	113.1	Q23 S27 L28 T219 V277	Q23-L25 PolarHBondContact O-N 3.43Å; L25-S27 PolarHBondContact O-N 3.49Å; L25-S27 VanDerWaalsContact O-N 3.12Å; L25-L28 HydrophobicContact CD2-CD1 3.55Å; L25-L28 HydrophobicContact CD2-CG 4.37Å; L25-L28 WeakPolarHBondContact O-CB 3.39Å; L25-L28 PolarHBondContact O-N 2.64Å; L25-T219 HydrophobicContact CD1-CG2 4.39Å; L25-T219 WeakPolarHBondContact CD1-OG1 3.01Å; L25-V277 HydrophobicContact CD2-CG2 4.19Å
26	S	44.7	Very low	43	Very low	104 Å²	104	109.1 Å²	109.1	73%	0.727	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-58.7	-11.8	166.4	65.5	0	0	0	0	114.1	P24	P24-S26 WeakPolarHBondContact CB-OG 3.33Å; P24-S26 PolarHBondContact O-N 2.79Å
27	S	45.1	Very low	43.8	Very low	69 Å²	69	102.3 Å²	102.3	48%	0.483	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-85.8	-11.2	172.5	67	0	0	0	0	114	P24 L25 L29	P24-S27 PolarHBondContact O-N 3.49Å; P24-S27 PolarHBondContact O-OG 3.05Å; L25-S27 PolarHBondContact O-N 3.49Å; L25-S27 VanDerWaalsContact O-N 3.12Å; S27-L29 PolarHBondContact O-N 2.92Å
28	L	50.2	Low	44.2	Very low	58 Å²	58	103.4 Å²	103.4	30%	0.304	58%	0.576	S	S	.	*	S	Bend	trans	-70.4	100.2	166.8	-65.2	174.7	0	0	0	106.8	L25 I271	L25-L28 HydrophobicContact CD2-CD1 3.55Å; L25-L28 HydrophobicContact CD2-CG 4.37Å; L25-L28 WeakPolarHBondContact O-CB 3.39Å; L25-L28 PolarHBondContact O-N 2.64Å; L28-I271 HydrophobicContact CD2-CG1 4.02Å
29	L	44.2	Very low	44.5	Very low	147 Å²	147	100.3 Å²	100.3	77%	0.77	57%	0.573	S	S	*	*			trans	-33.4	145	171.9	-72.3	162.3	0	0	0	111.5	S27 L31	S27-L29 PolarHBondContact O-N 2.92Å; L29-L31 PolarHBondContact O-N 2.86Å; L29-L31 VanDerWaalsContact O-N 3.13Å
30	P	50.5	Low	44.7	Very low	115 Å²	115	94.1 Å²	94.1	75%	0.747	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-48.9	125.8	-170.7	19.2	-31.5	0	0	0	110	P32	P30-P32 WeakPolarHBondContact O-CD 3.48Å
31	L	53.4	Low	45.1	Very low	21 Å²	21	95.1 Å²	95.1	11%	0.11	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-46.5	117.6	174.1	-89.1	153.4	0	0	0	107.5	L29 H33 I227 A231 I271 L272	L29-L31 PolarHBondContact O-N 2.86Å; L29-L31 VanDerWaalsContact O-N 3.13Å; L31-H33 PolarHBondContact O-N 3.04Å; L31-I227 HydrophobicContact CD1-CG2 3.51Å; L31-A231 HydrophobicContact CB-CB 3.96Å; L31-A231 HydrophobicContact CD1-CB 4.04Å; L31-I271 HydrophobicContact CD2-CG2 3.93Å; L31-I271 HydrophobicContact CG-CG2 4.5Å; L31-L272 HydrophobicContact CD1-CD1 3.74Å; L31-L272 HydrophobicContact CD1-CD2 4.45Å; L31-L272 HydrophobicContact CD1-CG 4.15Å; L31-L272 HydrophobicContact CD2-CD1 4.06Å; L31-L272 HydrophobicContact CD2-CG 4.02Å
32	P	52.5	Low	46.2	Very low	102 Å²	102	91.9 Å²	91.9	66%	0.662	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-54	133.4	175.8	20.4	-30.1	0	0	0	107	P30 L34	P30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-L34 PolarHBondContact O-N 2.83Å
33	H	56.4	Low	47.1	Very low	122 Å²	122	86.5 Å²	86.5	57%	0.565	53%	0.532	S	S	*	.			trans	-38.9	115.3	-171.9	-64.8	-71.1	0	0	0	110.4	L31 H35 N232	L31-H33 PolarHBondContact O-N 3.04Å; H33-H35 WeakPolarHBondContact CB-NE2 3.14Å; H33-H35 AromaticContact CG-NE2 3.85Å; H33-H35 PolarHBondContact O-CD2 2.92Å; H33-H35 PolarHBondContact O-N 3.5Å; H33-N232 PolarHBondContact ND1-ND2 3.05Å
34	L	56.3	Low	48.7	Very low	16 Å²	16	81.1 Å²	81.1	8%	0.084	51%	0.511	C	S	.	.			trans	-72.1	71.4	177.5	-70.1	169.9	0	0	0	107.8	P32 S36 A231 L233 P266 L267	P32-L34 PolarHBondContact O-N 2.83Å; L34-S36 PolarHBondContact O-N 3.26Å; L34-A231 HydrophobicContact CD1-CB 4.41Å; L34-L233 HydrophobicContact CD1-CD1 3.64Å; L34-L233 HydrophobicContact CD1-CG 4.32Å; L34-P266 HydrophobicContact CD2-CB 3.8Å; L34-L267 HydrophobicContact CD1-CD2 3.8Å; L34-L267 HydrophobicContact CD1-CG 4.25Å; L34-L267 HydrophobicContact CD2-CD2 4.23Å; L34-L267 HydrophobicContact CD2-CG 4.32Å
35	H	53.1	Low	50.7	Low	138 Å²	138	77.9 Å²	77.9	64%	0.639	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-68.3	129.9	177.8	-69.4	-61.4	0	0	0	108.9	H33 V37 P266	H33-H35 WeakPolarHBondContact CB-NE2 3.14Å; H33-H35 AromaticContact CG-NE2 3.85Å; H33-H35 PolarHBondContact O-CD2 2.92Å; H33-H35 PolarHBondContact O-N 3.5Å; H35-V37 PolarHBondContact O-N 2.91Å; H35-V37 VanDerWaalsContact O-N 3.11Å; H35-P266 WeakPolarHBondContact O-CG 3.38Å
36	S	46	Very low	52.4	Low	54 Å²	54	77.9 Å²	77.9	38%	0.378	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-60.4	116.5	170.9	61	0	0	0	0	108.8	L34	L34-S36 PolarHBondContact O-N 3.26Å
37	V	42.9	Very low	54.5	Low	83 Å²	83	73.3 Å²	73.3	50%	0.503	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-75.6	133.9	165.7	-177	0	0	0	0	107	H35 P266	H35-V37 PolarHBondContact O-N 2.91Å; H35-V37 VanDerWaalsContact O-N 3.11Å; V37-P266 HydrophobicContact CG2-CG 4.3Å
38	S	35.2	Very low	56.6	Low	98 Å²	98	73 Å²	73	69%	0.685	45%	0.451	S	S	*	.			trans	-45.7	134	171.9	-69.9	0	0	0	0	110	G40	S38-G40 PolarHBondContact O-N 3.44Å
39	P	34.1	Very low	58.6	Low	130 Å²	130	70.3 Å²	70.3	84%	0.844	44%	0.437	S	S	*	.	S	Bend	trans	-71	83.4	-179.7	28.4	-31.9	0	0	0	108.7
40	G	34.4	Very low	60.9	Low	64 Å²	64	63.3 Å²	63.3	66%	0.66	40%	0.4	S	S	*	.			trans	171.6	82.8	-171.1	0	0	0	0	0	111.7	S38	S38-G40 PolarHBondContact O-N 3.44Å
41	S	37.4	Very low	62.9	Low	79 Å²	79	60.2 Å²	60.2	55%	0.552	38%	0.377	S	S	*	.			trans	149.7	81.9	150.9	-179.1	0	0	0	0	107.6	G43 K265	S41-G43 PolarHBondContact O-N 3.43Å; S41-K265 PolarHBondContact O-NZ 3.31Å
42	V	53	Low	64.8	Low	107 Å²	107	59.4 Å²	59.4	65%	0.648	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-59.5	118.7	137.2	176.8	0	0	0	0	102.7
43	G	61.8	Low	66.8	Low	36 Å²	36	54.5 Å²	54.5	37%	0.371	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-50.5	149.5	178.3	0	0	0	0	0	109.1	S41	S41-G43 PolarHBondContact O-N 3.43Å
44	P	74.5	Confident	68.7	Low	50 Å²	50	49.1 Å²	49.1	33%	0.325	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-48	140.8	176.5	18.1	-28.5	0	0	0	109.8	S46 R146 R147	P44-S46 PolarHBondContact O-N 3.45Å; P44-R146 HydrophobicContact CB-CB 3.65Å; P44-R146 HydrophobicContact CB-CG 3.62Å; P44-R146 HydrophobicContact CG-CB 4.07Å; P44-R147 VanDerWaalsContact CG-O 3.28Å; P44-R147 WeakPolarHBondContact CG-O 3.35Å
45	P	85.9	Confident	70.4	Confident	13 Å²	13	49.8 Å²	49.8	8%	0.084	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-48.6	142.1	178.9	-26.8	34.2	0	0	0	110.7	V49 F50 L97 R146	P45-V49 HydrophobicContact CB-CB 4.12Å; P45-V49 HydrophobicContact CB-CG1 3.82Å; P45-F50 HydrophobicContact CB-CE1 4.36Å; P45-F50 HydrophobicContact CB-CE2 4.46Å; P45-F50 HydrophobicContact CB-CZ 4.29Å; P45-F50 HydrophobicContact CG-CE1 4.41Å; P45-F50 HydrophobicContact CG-CZ 4.33Å; P45-L97 HydrophobicContact CB-CD2 4.33Å; P45-L97 HydrophobicContact CG-CD2 4.21Å; P45-R146 PolarHBondContact O-NH1 3.37Å
46	S	88.5	Confident	72.4	Confident	30 Å²	30	43.2 Å²	43.2	21%	0.21	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-71.4	167.3	171.9	71.6	0	0	0	0	110.5	P44 Q48 V49 F50	P44-S46 PolarHBondContact O-N 3.45Å; S46-Q48 VanDerWaalsContact C-N 3.25Å; S46-Q48 PolarHBondContact O-N 2.87Å; S46-V49 PolarHBondContact O-N 3.01Å; S46-V49 WeakPolarHBondContact OG-CG2 3.28Å; S46-V49 PolarHBondContact OG-N 2.99Å; S46-F50 PolarHBondContact O-N 2.82Å; S46-F50 VanDerWaalsContact O-N 3.14Å
47	D	89.8	Confident	74.7	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-36.7	176.9	-67.4	-0.9	0	0	0	111.3	V49 F50 L51 R146 V157 V160 R161	D47-V49 PolarHBondContact O-N 2.98Å; D47-F50 WeakPolarHBondContact O-CB 3.49Å; D47-F50 PolarHBondContact O-N 3.35Å; D47-L51 PolarHBondContact O-N 3.04Å; D47-L51 VanDerWaalsContact O-N 3.14Å; D47-R146 IonicContact OD1-CZ 3.25Å; D47-R146 IonicContact OD1-NH1 3.41Å; D47-R146 IonicContact OD1-NH2 3.68Å; D47-R146 PolarHBondContact OD1-NH2 3.04Å; D47-R146 VanDerWaalsContact OD1-NH2 3.13Å; D47-V157 HydrophobicContact CB-CB 4.16Å; D47-V157 HydrophobicContact CB-CG2 3.99Å; D47-V157 PolarHBondContact OD2-N 3.31Å; D47-V160 HydrophobicContact CB-CB 4.15Å; D47-V160 HydrophobicContact CB-CG1 4.02Å; D47-V160 HydrophobicContact CB-CG2 4.16Å; D47-V160 WeakPolarHBondContact OD1-CG1 3.45Å; D47-R161 VanDerWaalsContact CG-NH1 3.31Å; D47-R161 IonicContact OD1-CZ 3.25Å; D47-R161 IonicContact OD1-NH1 2.88Å; D47-R161 PolarHBondContact OD1-NH1 2.88Å; D47-R161 IonicContact OD1-NH2 3.27Å; D47-R161 IonicContact OD2-CZ 3.59Å; D47-R161 IonicContact OD2-NE 2.79Å; D47-R161 PolarHBondContact OD2-NE 3.28Å; D47-R161 IonicContact OD2-NH1 3.14Å; D47-R161 PolarHBondContact OD2-NH1 3.35Å; D47-R161 IonicContact OD2-NH2 3.6Å; D47-R161 PolarHBondContact OD2-NH2 3.22Å
48	Q	89.1	Confident	77.1	Confident	64 Å²	64	37.9 Å²	37.9	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-41.8	174.2	-174.9	60.4	21	0	0	112.3	S46 F50 L51 Q52	S46-Q48 VanDerWaalsContact C-N 3.25Å; S46-Q48 PolarHBondContact O-N 2.87Å; Q48-F50 VanDerWaalsContact C-N 3.25Å; Q48-F50 PolarHBondContact O-N 3.04Å; Q48-L51 PolarHBondContact O-N 3.1Å; Q48-Q52 WeakPolarHBondContact O-CG 3.37Å; Q48-Q52 PolarHBondContact O-N 3.12Å
49	V	91.6	Very high	79.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-36.8	176.6	172.5	0	0	0	0	110.9	P45 S46 D47 A53 T90 Q93 A94 L97	P45-V49 HydrophobicContact CB-CB 4.12Å; P45-V49 HydrophobicContact CB-CG1 3.82Å; S46-V49 PolarHBondContact O-N 3.01Å; S46-V49 WeakPolarHBondContact OG-CG2 3.28Å; S46-V49 PolarHBondContact OG-N 2.99Å; D47-V49 PolarHBondContact O-N 2.98Å; V49-A53 WeakPolarHBondContact O-CB 3.28Å; V49-A53 PolarHBondContact O-N 2.76Å; V49-T90 HydrophobicContact CG2-CG2 3.59Å; V49-Q93 HydrophobicContact CG1-CB 4.1Å; V49-Q93 HydrophobicContact CG1-CG 3.85Å; V49-Q93 HydrophobicContact CG2-CB 4.35Å; V49-Q93 HydrophobicContact CG2-CG 4.48Å; V49-A94 HydrophobicContact CG1-CB 4.35Å; V49-L97 HydrophobicContact CG1-CD2 4.44Å
50	F	93.4	Very high	82.6	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-44.9	175.7	-85.5	-47.7	0	0	0	112.9	P45 S46 D47 Q48 A53 A54 L97 L130 V133 M134 D137 R146 V160	P45-F50 HydrophobicContact CB-CE1 4.36Å; P45-F50 HydrophobicContact CB-CE2 4.46Å; P45-F50 HydrophobicContact CB-CZ 4.29Å; P45-F50 HydrophobicContact CG-CE1 4.41Å; P45-F50 HydrophobicContact CG-CZ 4.33Å; S46-F50 PolarHBondContact O-N 2.82Å; S46-F50 VanDerWaalsContact O-N 3.14Å; D47-F50 WeakPolarHBondContact O-CB 3.49Å; D47-F50 PolarHBondContact O-N 3.35Å; Q48-F50 VanDerWaalsContact C-N 3.25Å; Q48-F50 PolarHBondContact O-N 3.04Å; F50-A53 PolarHBondContact O-N 2.7Å; F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.38Å; F50-A54 PolarHBondContact O-N 2.63Å; F50-L97 HydrophobicContact CD1-CD2 3.41Å; F50-L97 VanDerWaalsContact CD1-CD2 3.41Å; F50-L97 HydrophobicContact CE1-CD2 3.49Å; F50-L97 VanDerWaalsContact CE1-CD2 3.49Å; F50-L130 HydrophobicContact CB-CD1 3.88Å; F50-V133 HydrophobicContact CD1-CG2 4Å; F50-M134 HydrophobicContact CB-CG 4.45Å; F50-M134 HydrophobicContact CD1-CG 3.68Å; F50-M134 HydrophobicContact CD2-CG 4Å; F50-M134 HydrophobicContact CE1-CB 4.34Å; F50-M134 HydrophobicContact CE1-CG 3.79Å; F50-M134 HydrophobicContact CE2-CE 4.42Å; F50-M134 HydrophobicContact CE2-CG 3.99Å; F50-M134 HydrophobicContact CG-CG 3.84Å; F50-M134 HydrophobicContact CZ-CB 4.46Å; F50-M134 HydrophobicContact CZ-CG 3.96Å; F50-D137 HydrophobicContact CE1-CB 3.81Å; F50-D137 HydrophobicContact CZ-CB 3.77Å; F50-D137 WeakPolarHBondContact CZ-OD2 3.49Å; F50-R146 VanDerWaalsContact CD2-NH1 3.32Å; F50-V160 HydrophobicContact CB-CG2 4.45Å; F50-V160 HydrophobicContact CD2-CG1 3.97Å
51	L	92.3	Very high	85.4	Confident	49 Å²	49	31.7 Å²	31.7	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-47.3	176.3	-68.8	-176.5	0	0	0	111.7	D47 Q48 A54 A55 L130 V157 V160	D47-L51 PolarHBondContact O-N 3.04Å; D47-L51 VanDerWaalsContact O-N 3.14Å; Q48-L51 PolarHBondContact O-N 3.1Å; L51-A54 WeakPolarHBondContact O-CB 3.4Å; L51-A54 PolarHBondContact O-N 3.24Å; L51-A55 PolarHBondContact O-N 3.09Å; L51-L130 HydrophobicContact CD2-CD1 4.28Å; L51-L130 HydrophobicContact CD2-CD2 4.16Å; L51-V157 HydrophobicContact CD1-CB 4.42Å; L51-V157 HydrophobicContact CD1-CG1 3.86Å; L51-V157 HydrophobicContact CD1-CG2 3.88Å; L51-V157 HydrophobicContact CD2-CG1 4.32Å; L51-V157 HydrophobicContact CG-CG1 4.36Å; L51-V160 HydrophobicContact CD2-CG2 3.97Å; L51-V160 HydrophobicContact CG-CG2 4.13Å
52	Q	92.7	Very high	87.7	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-44.4	178	-68.8	178.3	-22.5	0	0	111.4	Q48 A54 A55 I56 P81 F82 D86 A94	Q48-Q52 WeakPolarHBondContact O-CG 3.37Å; Q48-Q52 PolarHBondContact O-N 3.12Å; Q52-A54 VanDerWaalsContact C-N 3.3Å; Q52-A54 PolarHBondContact O-N 2.86Å; Q52-A55 PolarHBondContact O-N 2.71Å; Q52-I56 WeakPolarHBondContact O-CD1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.16Å; Q52-I56 PolarHBondContact O-N 2.64Å; Q52-P81 WeakPolarHBondContact CG-O 3.43Å; Q52-F82 HydrophobicContact CB-CE1 4.43Å; Q52-F82 HydrophobicContact CG-CE1 4.46Å; Q52-D86 PolarHBondContact NE2-OD2 2.63Å; Q52-A94 HydrophobicContact CB-CB 3.53Å
53	A	95.1	Very high	89.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-38.2	176.9	0	0	0	0	0	111.8	V49 F50 I56 F57 A94 L97 A98 V133	V49-A53 WeakPolarHBondContact O-CB 3.28Å; V49-A53 PolarHBondContact O-N 2.76Å; F50-A53 PolarHBondContact O-N 2.7Å; A53-I56 PolarHBondContact O-N 3.12Å; A53-F57 VanDerWaalsContact O-CB 3.23Å; A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 3.48Å; A53-A94 HydrophobicContact CB-CB 4.42Å; A53-A94 WeakPolarHBondContact CB-O 3.01Å; A53-L97 HydrophobicContact CB-CB 3.93Å; A53-L97 HydrophobicContact CB-CD2 3.69Å; A53-L97 HydrophobicContact CB-CG 3.88Å; A53-A98 HydrophobicContact CB-CB 4.39Å; A53-A98 WeakPolarHBondContact O-CB 3.5Å; A53-V133 HydrophobicContact CB-CB 4.38Å; A53-V133 HydrophobicContact CB-CG1 4.17Å; A53-V133 HydrophobicContact CB-CG2 4.45Å
54	A	95.1	Very high	90.1	Very high	9 Å²	9	34.5 Å²	34.5	7%	0.074	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-46.1	175.8	0	0	0	0	0	111.4	F50 L51 Q52 F57 Q58 P129 L130 V133	F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.38Å; F50-A54 PolarHBondContact O-N 2.63Å; L51-A54 WeakPolarHBondContact O-CB 3.4Å; L51-A54 PolarHBondContact O-N 3.24Å; Q52-A54 VanDerWaalsContact C-N 3.3Å; Q52-A54 PolarHBondContact O-N 2.86Å; A54-F57 PolarHBondContact O-N 3.33Å; A54-Q58 VanDerWaalsContact O-CB 3.27Å; A54-Q58 WeakPolarHBondContact O-CB 3.49Å; A54-Q58 PolarHBondContact O-N 2.67Å; A54-P129 HydrophobicContact CB-CB 4.13Å; A54-P129 WeakPolarHBondContact O-CB 3.36Å; A54-L130 HydrophobicContact CB-CB 3.98Å; A54-L130 HydrophobicContact CB-CD1 4.04Å; A54-V133 HydrophobicContact CB-CG2 4.04Å
55	A	92.9	Very high	90.4	Very high	30 Å²	30	36 Å²	36	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-42.1	176.1	0	0	0	0	0	112.3	L51 Q52 Q58 R59 P81	L51-A55 PolarHBondContact O-N 3.09Å; Q52-A55 PolarHBondContact O-N 2.71Å; A55-Q58 PolarHBondContact O-N 2.87Å; A55-R59 PolarHBondContact O-N 3.12Å; A55-R59 VanDerWaalsContact O-N 3.1Å; A55-P81 HydrophobicContact CB-CB 4.03Å
56	I	94.4	Very high	89.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-46.3	175.8	-65	160.4	0	0	0	110.6	Q52 A53 R59 L60 P81 F82 A94 Y95 A98	Q52-I56 WeakPolarHBondContact O-CD1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.16Å; Q52-I56 PolarHBondContact O-N 2.64Å; A53-I56 PolarHBondContact O-N 3.12Å; I56-R59 PolarHBondContact O-N 3.3Å; I56-L60 HydrophobicContact CG2-CD1 3.61Å; I56-L60 HydrophobicContact CG2-CG 4.32Å; I56-L60 VanDerWaalsContact O-CB 3.3Å; I56-L60 WeakPolarHBondContact O-CB 3.46Å; I56-L60 WeakPolarHBondContact O-CG 3.45Å; I56-L60 PolarHBondContact O-N 2.76Å; I56-P81 HydrophobicContact CG1-CB 3.93Å; I56-P81 HydrophobicContact CG1-CG 4.36Å; I56-F82 HydrophobicContact CD1-CE1 4.3Å; I56-F82 HydrophobicContact CD1-CE2 4.41Å; I56-F82 HydrophobicContact CD1-CZ 3.58Å; I56-F82 HydrophobicContact CG1-CZ 4.15Å; I56-A94 HydrophobicContact CD1-CB 3.78Å; I56-Y95 HydrophobicContact CD1-CD1 3.98Å; I56-Y95 HydrophobicContact CD1-CD2 4.14Å; I56-Y95 HydrophobicContact CD1-CE1 4.14Å; I56-Y95 HydrophobicContact CD1-CE2 4.31Å; I56-Y95 HydrophobicContact CD1-CG 3.97Å; I56-Y95 HydrophobicContact CG1-CD1 4.4Å; I56-Y95 HydrophobicContact CG1-CE1 4.19Å; I56-Y95 HydrophobicContact CG2-CD1 3.62Å; I56-Y95 HydrophobicContact CG2-CE1 3.69Å; I56-A98 HydrophobicContact CB-CB 3.82Å; I56-A98 HydrophobicContact CG2-CB 3.51Å
57	F	95.2	Very high	89.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-45.9	177.5	173.4	-94.3	0	0	0	111.2	A53 A54 R59 L60 R61 Y73 A98 T101 L102 Q105 P129 M132 V133	A53-F57 VanDerWaalsContact O-CB 3.23Å; A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 3.48Å; A54-F57 PolarHBondContact O-N 3.33Å; F57-R59 VanDerWaalsContact C-N 3.28Å; F57-R59 PolarHBondContact O-N 3.08Å; F57-L60 PolarHBondContact O-N 3.18Å; F57-R61 HydrophobicContact CE1-CB 4.3Å; F57-R61 HydrophobicContact CE2-CB 4.33Å; F57-R61 HydrophobicContact CZ-CB 4.1Å; F57-R61 VanDerWaalsContact O-CB 3.3Å; F57-R61 WeakPolarHBondContact O-CB 3.49Å; F57-R61 WeakPolarHBondContact O-CG 3.24Å; F57-R61 PolarHBondContact O-N 3.36Å; F57-Y73 HydrophobicContact CE1-CE1 4.22Å; F57-A98 HydrophobicContact CB-CB 4.29Å; F57-T101 HydrophobicContact CD2-CG2 3.67Å; F57-T101 HydrophobicContact CE2-CG2 3.66Å; F57-T101 HydrophobicContact CG-CG2 4.34Å; F57-T101 HydrophobicContact CZ-CG2 4.33Å; F57-L102 HydrophobicContact CD2-CD2 3.7Å; F57-L102 HydrophobicContact CD2-CG 3.99Å; F57-L102 HydrophobicContact CE2-CD2 3.8Å; F57-L102 HydrophobicContact CE2-CG 4.35Å; F57-Q105 HydrophobicContact CE2-CB 4.5Å; F57-Q105 HydrophobicContact CE2-CG 4.4Å; F57-Q105 HydrophobicContact CZ-CG 4.12Å; F57-P129 HydrophobicContact CD1-CB 4.18Å; F57-M132 HydrophobicContact CD1-CB 4.22Å; F57-M132 HydrophobicContact CE1-CB 3.78Å; F57-M132 HydrophobicContact CE1-CE 4.37Å; F57-M132 HydrophobicContact CE1-CG 3.82Å; F57-M132 HydrophobicContact CZ-CB 4.08Å; F57-M132 HydrophobicContact CZ-CE 3.75Å; F57-M132 HydrophobicContact CZ-CG 4.13Å; F57-V133 HydrophobicContact CB-CG1 3.89Å; F57-V133 HydrophobicContact CG-CG1 4.26Å
58	Q	93.1	Very high	88.6	Confident	25 Å²	25	53.8 Å²	53.8	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-52.8	-46.2	175.3	167.7	71.1	31.9	0	0	111.7	A54 A55 R61 E74 R76 P129	A54-Q58 VanDerWaalsContact O-CB 3.27Å; A54-Q58 WeakPolarHBondContact O-CB 3.49Å; A54-Q58 PolarHBondContact O-N 2.67Å; A55-Q58 PolarHBondContact O-N 2.87Å; Q58-R61 WeakPolarHBondContact O-CG 2.96Å; Q58-E74 PolarHBondContact NE2-O 3.23Å; Q58-R76 PolarHBondContact NE2-O 3.43Å; Q58-P129 HydrophobicContact CB-CB 3.96Å; Q58-P129 HydrophobicContact CB-CG 3.88Å; Q58-P129 HydrophobicContact CG-CG 4.34Å
59	R	92.1	Very high	88.3	Confident	127 Å²	127	53.4 Å²	53.4	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-72.2	-34.3	-179.1	-173.4	178.5	68.4	-179.5	0.5	113.4	A55 I56 F57 Y95	A55-R59 PolarHBondContact O-N 3.12Å; A55-R59 VanDerWaalsContact O-N 3.1Å; I56-R59 PolarHBondContact O-N 3.3Å; F57-R59 VanDerWaalsContact C-N 3.28Å; F57-R59 PolarHBondContact O-N 3.08Å; R59-Y95 PolarHBondContact NH2-OH 3.36Å
60	L	93.3	Very high	87.9	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-98.7	-16.4	-170.7	-68	-177.1	0	0	0	113.8	I56 F57 L102 L405 P406	I56-L60 HydrophobicContact CG2-CD1 3.61Å; I56-L60 HydrophobicContact CG2-CG 4.32Å; I56-L60 VanDerWaalsContact O-CB 3.3Å; I56-L60 WeakPolarHBondContact O-CB 3.46Å; I56-L60 WeakPolarHBondContact O-CG 3.45Å; I56-L60 PolarHBondContact O-N 2.76Å; F57-L60 PolarHBondContact O-N 3.18Å; L60-L102 HydrophobicContact CB-CD1 3.91Å; L60-L102 HydrophobicContact CB-CD2 4.45Å; L60-L102 HydrophobicContact CD1-CD1 4.43Å; L60-L405 HydrophobicContact CD1-CB 4.16Å; L60-L405 HydrophobicContact CD1-CD1 3.94Å; L60-P406 HydrophobicContact CB-CG 3.95Å; L60-P406 HydrophobicContact CD2-CG 4.33Å; L60-P406 WeakPolarHBondContact O-CB 3.45Å; L60-P406 WeakPolarHBondContact O-CG 3.48Å
61	R	92.1	Very high	87.7	Confident	18 Å²	18	57.4 Å²	57.4	7%	0.068	28%	0.277	C	S	.	.	S	Bend	trans	-58	149.6	-179.7	61.3	142.5	-170.8	-77.8	-11.4	111.4	F57 Q58 E63 Y73 L102	F57-R61 HydrophobicContact CE1-CB 4.3Å; F57-R61 HydrophobicContact CE2-CB 4.33Å; F57-R61 HydrophobicContact CZ-CB 4.1Å; F57-R61 VanDerWaalsContact O-CB 3.3Å; F57-R61 WeakPolarHBondContact O-CB 3.49Å; F57-R61 WeakPolarHBondContact O-CG 3.24Å; F57-R61 PolarHBondContact O-N 3.36Å; Q58-R61 WeakPolarHBondContact O-CG 2.96Å; R61-E63 IonicContact NH2-OE1 2.91Å; R61-Y73 VanDerWaalsContact CZ-CG 3.49Å; R61-Y73 VanDerWaalsContact NH1-CB 3.34Å; R61-Y73 VanDerWaalsContact NH1-CD1 3.33Å; R61-Y73 VanDerWaalsContact NH1-CG 3.28Å; R61-Y73 VanDerWaalsContact NH2-CB 3.28Å; R61-L102 HydrophobicContact CB-CD2 4.17Å
62	R	85.4	Confident	87.4	Confident	91 Å²	91	63.2 Å²	63.2	34%	0.343	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-81.3	123	172.2	-71.2	177.3	172.9	176.7	-5.5	108.7	Q105 P406 D407 H410	R62-Q105 PolarHBondContact O-NE2 2.94Å; R62-Q105 VanDerWaalsContact O-NE2 3.1Å; R62-P406 HydrophobicContact CG-CB 4.37Å; R62-D407 IonicContact CZ-OD1 2.78Å; R62-D407 IonicContact NH2-OD1 3.5Å; R62-D407 PolarHBondContact NH2-OD1 3.49Å; R62-H410 PolarHBondContact NH1-CD2 3.24Å
63	E	83.5	Confident	87.2	Confident	138 Å²	138	63.8 Å²	63.8	65%	0.645	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-74	134.2	168.6	-67.1	-171.8	166.4	0	0	109.7	R61	R61-E63 IonicContact NH2-OE1 2.91Å
64	K	82.9	Confident	86.6	Confident	52 Å²	52	66.4 Å²	66.4	23%	0.226	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-98.8	147.2	176.2	-66.2	173.8	-173.4	166.4	0	108.3	R68 D106 E109	K64-R68 HydrophobicContact CB-CB 4.34Å; K64-R68 WeakPolarHBondContact CD-O 3.5Å; K64-D106 WeakPolarHBondContact CE-OD1 3.33Å; K64-D106 IonicContact NZ-OD1 3.18Å; K64-D106 PolarHBondContact NZ-OD1 2.71Å; K64-E109 IonicContact NZ-OE2 2.71Å; K64-E109 PolarHBondContact NZ-OE2 2.96Å
65	P	80.8	Confident	85.3	Confident	80 Å²	80	72.7 Å²	72.7	52%	0.519	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59.4	142.4	170.7	26.8	-33.8	0	0	0	109.7	P67 R68 Q69	P65-P67 VanDerWaalsContact C-N 3.33Å; P65-P67 WeakPolarHBondContact O-CD 3.43Å; P65-R68 HydrophobicContact CG-CB 4.49Å; P65-R68 PolarHBondContact O-N 2.88Å; P65-Q69 PolarHBondContact O-N 2.85Å
66	E	75.1	Confident	83.9	Confident	112 Å²	112	77.4 Å²	77.4	52%	0.523	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-36.2	-48.9	-177.2	-80.8	-75.5	148.3	0	0	115.5	R68 Q69 R72	E66-R68 PolarHBondContact O-N 2.96Å; E66-Q69 PolarHBondContact O-N 2.87Å; E66-Q69 VanDerWaalsContact O-N 3.08Å; E66-Q69 PolarHBondContact OE1-OE1 2.96Å; E66-R72 IonicContact OE2-CZ 2.84Å; E66-R72 IonicContact OE2-NE 3.93Å; E66-R72 IonicContact OE2-NH2 2.88Å; E66-R72 PolarHBondContact OE2-NH2 3.3Å
67	P	73.8	Confident	82.1	Confident	123 Å²	123	83.1 Å²	83.1	80%	0.799	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-63.9	-13.6	-179	23.7	-35.1	0	0	0	114.8	P65	P65-P67 VanDerWaalsContact C-N 3.33Å; P65-P67 WeakPolarHBondContact O-CD 3.43Å
68	R	76.6	Confident	80	Confident	189 Å²	189	89.9 Å²	89.9	71%	0.713	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-111.7	3	179.1	-63.2	-176.6	179	175.1	0	112.9	K64 P65 E66	K64-R68 HydrophobicContact CB-CB 4.34Å; K64-R68 WeakPolarHBondContact CD-O 3.5Å; P65-R68 HydrophobicContact CG-CB 4.49Å; P65-R68 PolarHBondContact O-N 2.88Å; E66-R68 PolarHBondContact O-N 2.96Å
69	Q	82.4	Confident	78.2	Confident	57 Å²	57	93.5 Å²	93.5	27%	0.266	45%	0.449	S	S	.	.			trans	-86.2	113.4	-176.3	-171.4	168.9	18.6	0	0	110.6	P65 E66 L71	P65-Q69 PolarHBondContact O-N 2.85Å; E66-Q69 PolarHBondContact O-N 2.87Å; E66-Q69 VanDerWaalsContact O-N 3.08Å; E66-Q69 PolarHBondContact OE1-OE1 2.96Å; Q69-L71 WeakPolarHBondContact CG-O 3.22Å; Q69-L71 PolarHBondContact NE2-O 3.18Å
70	L	84.3	Confident	76.4	Confident	81 Å²	81	94.2 Å²	94.2	42%	0.424	46%	0.462	S	S	.	.	S	Bend	trans	-81	-30.9	177.4	-68.6	174.4	0	0	0	112.6	E109 A110	L70-E109 HydrophobicContact CB-CB 4.37Å; L70-E109 HydrophobicContact CD1-CB 4.27Å; L70-A110 HydrophobicContact CD1-CB 4.09Å
71	L	88.1	Confident	74.8	Confident	3 Å²	3	94.1 Å²	94.1	2%	0.016	46%	0.462	C	S	.	.	S	Bend	trans	-134	135.6	-178	-59.8	-179.7	0	0	0	110.1	Q69 Y73 E109 I112 L128 M132	Q69-L71 WeakPolarHBondContact CG-O 3.22Å; Q69-L71 PolarHBondContact NE2-O 3.18Å; L71-Y73 HydrophobicContact CB-CE2 4.03Å; L71-E109 HydrophobicContact CD1-CB 4.17Å; L71-E109 HydrophobicContact CD1-CG 4.03Å; L71-E109 HydrophobicContact CG-CB 4.42Å; L71-E109 HydrophobicContact CG-CG 4.45Å; L71-I112 HydrophobicContact CD1-CB 4.01Å; L71-I112 HydrophobicContact CD1-CD1 4.23Å; L71-I112 HydrophobicContact CD1-CG2 3.83Å; L71-I112 HydrophobicContact CD2-CG2 3.89Å; L71-L128 HydrophobicContact CB-CD1 4.12Å; L71-L128 HydrophobicContact CD1-CD2 4.3Å; L71-M132 HydrophobicContact CD1-SD 4.43Å
72	R	87.4	Confident	73.4	Confident	171 Å²	171	94.8 Å²	94.8	65%	0.645	47%	0.466	S	S	*	.			trans	-96.3	112.5	176.9	-72.2	-175.4	171.9	170.8	-2	110.3	E66 S125 L128	E66-R72 IonicContact OE2-CZ 2.84Å; E66-R72 IonicContact OE2-NE 3.93Å; E66-R72 IonicContact OE2-NH2 2.88Å; E66-R72 PolarHBondContact OE2-NH2 3.3Å; R72-S125 WeakPolarHBondContact O-CB 3.35Å; R72-L128 WeakPolarHBondContact O-CD1 3.25Å
73	Y	88.4	Confident	72.1	Confident	17 Å²	17	96.1 Å²	96.1	7%	0.067	48%	0.479	C	S	.	.			trans	-91	154.6	177.1	-62.8	-91.8	0	0	0	110.4	F57 R61 L71 L128 P129 M132	F57-Y73 HydrophobicContact CE1-CE1 4.22Å; R61-Y73 VanDerWaalsContact CZ-CG 3.49Å; R61-Y73 VanDerWaalsContact NH1-CB 3.34Å; R61-Y73 VanDerWaalsContact NH1-CD1 3.33Å; R61-Y73 VanDerWaalsContact NH1-CG 3.28Å; R61-Y73 VanDerWaalsContact NH2-CB 3.28Å; L71-Y73 HydrophobicContact CB-CE2 4.03Å; Y73-L128 HydrophobicContact CD1-CB 3.59Å; Y73-L128 HydrophobicContact CD1-CD1 4.18Å; Y73-L128 HydrophobicContact CE1-CB 3.55Å; Y73-L128 HydrophobicContact CE1-CD1 4.34Å; Y73-L128 HydrophobicContact CG-CD1 4.47Å; Y73-P129 HydrophobicContact CD1-CG 4.04Å; Y73-M132 HydrophobicContact CE1-CG 4.15Å; Y73-M132 WeakPolarHBondContact OH-CG 3.37Å; Y73-M132 PolarHBondContact OH-SD 3.46Å
74	E	82.9	Confident	70.4	Confident	55 Å²	55	96.4 Å²	96.4	26%	0.257	50%	0.497	S	S	.	.			trans	-71.2	142.5	175.6	-166.5	-174	-173.2	0	0	109.7	Q58 R76 S125 D126	Q58-E74 PolarHBondContact NE2-O 3.23Å; E74-R76 HydrophobicContact CG-CG 4.04Å; E74-R76 PolarHBondContact O-N 3.1Å; E74-R76 IonicContact OE1-CZ 2.96Å; E74-R76 VanDerWaalsContact OE1-CZ 3.25Å; E74-R76 IonicContact OE1-NE 3.96Å; E74-R76 PolarHBondContact OE1-NE 2.83Å; E74-R76 IonicContact OE1-NH2 3.64Å; E74-R76 PolarHBondContact OE1-NH2 3.28Å; E74-R76 VanDerWaalsContact OE2-CD 3.25Å; E74-R76 WeakPolarHBondContact OE2-CD 3.45Å; E74-R76 IonicContact OE2-CZ 2.72Å; E74-R76 IonicContact OE2-NE 3.8Å; E74-R76 PolarHBondContact OE2-NE 3.34Å; E74-R76 IonicContact OE2-NH1 2.89Å; E74-R76 IonicContact OE2-NH2 3.86Å; E74-R76 PolarHBondContact OE2-NH2 2.75Å; E74-S125 PolarHBondContact N-O 3.46Å; E74-S125 VanDerWaalsContact N-O 3.09Å; E74-D126 WeakPolarHBondContact OE2-CB 3.5Å
75	N	67.6	Low	69	Low	140 Å²	140	97.2 Å²	97.2	75%	0.749	52%	0.52	S	S	*	.			trans	-79.2	68.5	173.3	-72.3	-7.7	0	0	0	110.1
76	R	63.5	Low	68.2	Low	129 Å²	129	95.6 Å²	95.6	49%	0.487	51%	0.507	S	S	.	.			trans	-101.7	114.2	168.1	-74.6	-170.2	-175.3	165.6	18.8	110.2	Q58 E74	Q58-R76 PolarHBondContact NE2-O 3.43Å; E74-R76 HydrophobicContact CG-CG 4.04Å; E74-R76 PolarHBondContact O-N 3.1Å; E74-R76 IonicContact OE1-CZ 2.96Å; E74-R76 VanDerWaalsContact OE1-CZ 3.25Å; E74-R76 IonicContact OE1-NE 3.96Å; E74-R76 PolarHBondContact OE1-NE 2.83Å; E74-R76 IonicContact OE1-NH2 3.64Å; E74-R76 PolarHBondContact OE1-NH2 3.28Å; E74-R76 VanDerWaalsContact OE2-CD 3.25Å; E74-R76 WeakPolarHBondContact OE2-CD 3.45Å; E74-R76 IonicContact OE2-CZ 2.72Å; E74-R76 IonicContact OE2-NE 3.8Å; E74-R76 PolarHBondContact OE2-NE 3.34Å; E74-R76 IonicContact OE2-NH1 2.89Å; E74-R76 IonicContact OE2-NH2 3.86Å; E74-R76 PolarHBondContact OE2-NH2 2.75Å
77	T	56.2	Low	68.4	Low	121 Å²	121	94.5 Å²	94.5	74%	0.742	51%	0.505	S	S	*	.			trans	-102.8	-12.6	172.7	43.6	0	0	0	0	113.2
78	D	51.7	Low	68.8	Low	142 Å²	142	93.3 Å²	93.3	76%	0.759	49%	0.487	S	S	*	.			trans	-105.5	-6.4	-155	-59.2	-13.9	0	0	0	115.3	L80	D78-L80 PolarHBondContact O-N 3.01Å
79	T	53.7	Low	69.2	Low	100 Å²	100	87.3 Å²	87.3	61%	0.613	48%	0.478	S	S	*	.			trans	-81.3	110.3	178.1	-34.8	0	0	0	0	109.7	P81	T79-P81 WeakPolarHBondContact O-CD 3.15Å
80	L	55.3	Low	69.5	Low	142 Å²	142	86.2 Å²	86.2	74%	0.743	48%	0.475	S	S	*	.			trans	-59.3	125.5	170.4	-106	106.6	0	0	0	108.8	D78 F82	D78-L80 PolarHBondContact O-N 3.01Å; L80-F82 PolarHBondContact O-N 3.39Å; L80-F82 VanDerWaalsContact O-N 3.11Å
81	P	58.8	Low	69.7	Low	15 Å²	15	84.5 Å²	84.5	10%	0.097	47%	0.465	C	S	.	.	S	Bend	trans	-70.9	-6.3	-176.4	22.2	-28.3	0	0	0	113.7	Q52 A55 I56 T79	Q52-P81 WeakPolarHBondContact CG-O 3.43Å; A55-P81 HydrophobicContact CB-CB 4.03Å; I56-P81 HydrophobicContact CG1-CB 3.93Å; I56-P81 HydrophobicContact CG1-CG 4.36Å; T79-P81 WeakPolarHBondContact O-CD 3.15Å
82	F	63.7	Low	69.9	Low	33 Å²	33	88 Å²	88	15%	0.145	48%	0.48	C	S	.	.			trans	-138.3	136.2	-175.2	-53.2	-70.4	0	0	0	111.8	Q52 I56 L80 D86 Q91 Y95	Q52-F82 HydrophobicContact CB-CE1 4.43Å; Q52-F82 HydrophobicContact CG-CE1 4.46Å; I56-F82 HydrophobicContact CD1-CE1 4.3Å; I56-F82 HydrophobicContact CD1-CE2 4.41Å; I56-F82 HydrophobicContact CD1-CZ 3.58Å; I56-F82 HydrophobicContact CG1-CZ 4.15Å; L80-F82 PolarHBondContact O-N 3.39Å; L80-F82 VanDerWaalsContact O-N 3.11Å; F82-D86 WeakPolarHBondContact CA-OD2 3.35Å; F82-Q91 HydrophobicContact CD1-CB 4.11Å; F82-Q91 HydrophobicContact CD1-CG 4.06Å; F82-Q91 VanDerWaalsContact CD2-NE2 3.25Å; F82-Q91 HydrophobicContact CE1-CB 3.7Å; F82-Q91 HydrophobicContact CE1-CG 3.47Å; F82-Q91 VanDerWaalsContact CE1-CG 3.47Å; F82-Q91 HydrophobicContact CE2-CG 4.2Å; F82-Q91 HydrophobicContact CZ-CB 4.28Å; F82-Q91 HydrophobicContact CZ-CG 3.54Å; F82-Y95 HydrophobicContact CE2-CD2 4.5Å; F82-Y95 AromaticContact CE2-CE2 3.53Å; F82-Y95 HydrophobicContact CE2-CE2 3.53Å; F82-Y95 AromaticContact CE2-CZ 3.8Å; F82-Y95 AromaticContact CZ-CD2 3.93Å; F82-Y95 HydrophobicContact CZ-CD2 3.93Å; F82-Y95 AromaticContact CZ-CE2 3.39Å; F82-Y95 HydrophobicContact CZ-CE2 3.39Å; F82-Y95 AromaticContact CZ-CZ 3.98Å
83	N	57.3	Low	70.2	Confident	118 Å²	118	82.4 Å²	82.4	63%	0.631	46%	0.461	S	S	*	.			trans	-87.4	156.8	165.4	-69	-36.3	0	0	0	109.7	G85 D86	N83-G85 PolarHBondContact O-N 3.27Å; N83-D86 PolarHBondContact N-OD2 3.16Å; N83-D86 PolarHBondContact O-N 2.78Å
84	S	48.8	Very low	70.5	Confident	144 Å²	144	81.6 Å²	81.6	100%	1.007	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-6	-179	55.5	0	0	0	0	115.1
85	G	52.8	Low	71.1	Confident	70 Å²	70	79.3 Å²	79.3	72%	0.722	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	4.7	177.1	0	0	0	0	0	115.3	N83 D87	N83-G85 PolarHBondContact O-N 3.27Å; G85-D87 PolarHBondContact O-N 2.84Å
86	D	63.1	Low	72.5	Confident	45 Å²	45	74.6 Å²	74.6	24%	0.241	42%	0.421	C	S	.	.			trans	-71.4	129.5	-177.9	-72.5	-26.9	0	0	0	111.7	Q52 F82 N83	Q52-D86 PolarHBondContact NE2-OD2 2.63Å; F82-D86 WeakPolarHBondContact CA-OD2 3.35Å; N83-D86 PolarHBondContact N-OD2 3.16Å; N83-D86 PolarHBondContact O-N 2.78Å
87	D	79.8	Confident	74.1	Confident	89 Å²	89	69 Å²	69	48%	0.476	40%	0.4	S	S	.	.			trans	-63.5	138.8	179	164.8	56.1	0	0	0	112	G85 A89 T90 Q91	G85-D87 PolarHBondContact O-N 2.84Å; D87-A89 VanDerWaalsContact C-N 3.27Å; D87-A89 PolarHBondContact O-N 2.79Å; D87-A89 PolarHBondContact OD1-N 3.11Å; D87-A89 WeakPolarHBondContact OD2-CA 3.07Å; D87-A89 WeakPolarHBondContact OD2-CB 3.26Å; D87-A89 PolarHBondContact OD2-N 3.45Å; D87-A89 VanDerWaalsContact OD2-N 3.08Å; D87-T90 WeakPolarHBondContact O-CB 3.33Å; D87-T90 PolarHBondContact O-N 3.1Å; D87-T90 VanDerWaalsContact O-N 3.11Å; D87-T90 PolarHBondContact OD2-N 3.07Å; D87-T90 VanDerWaalsContact OD2-N 3.08Å; D87-T90 PolarHBondContact OD2-OG1 3.44Å; D87-Q91 PolarHBondContact O-N 2.97Å
88	K	83.1	Confident	76.1	Confident	98 Å²	98	63.2 Å²	63.2	43%	0.426	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-35.2	-179	-80.4	-170.4	177.7	-171.5	0	112.7	K92 E341 H396	K88-K92 WeakPolarHBondContact O-CB 3.23Å; K88-K92 PolarHBondContact O-N 3.4Å; K88-E341 WeakPolarHBondContact CE-OE1 3.27Å; K88-E341 IonicContact NZ-OE1 3.86Å; K88-E341 PolarHBondContact NZ-OE1 3.4Å; K88-E341 IonicContact NZ-OE2 2.69Å; K88-E341 PolarHBondContact NZ-OE2 2.93Å; K88-H396 PolarHBondContact O-CE1 3.41Å
89	A	85	Confident	78.3	Confident	64 Å²	64	56.8 Å²	56.8	53%	0.529	33%	0.33	S	S	.	.	H	α-helix	trans	-71.2	-40	177.8	0	0	0	0	0	111.2	D87 K92 Q93	D87-A89 VanDerWaalsContact C-N 3.27Å; D87-A89 PolarHBondContact O-N 2.79Å; D87-A89 PolarHBondContact OD1-N 3.11Å; D87-A89 WeakPolarHBondContact OD2-CA 3.07Å; D87-A89 WeakPolarHBondContact OD2-CB 3.26Å; D87-A89 PolarHBondContact OD2-N 3.45Å; D87-A89 VanDerWaalsContact OD2-N 3.08Å; A89-K92 PolarHBondContact O-N 3.45Å; A89-Q93 PolarHBondContact O-N 2.65Å
90	T	87.6	Confident	80.3	Confident	34 Å²	34	53.3 Å²	53.3	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-48.5	173.7	-56.2	0	0	0	0	111.1	V49 D87 K92 Q93 A94	V49-T90 HydrophobicContact CG2-CG2 3.59Å; D87-T90 WeakPolarHBondContact O-CB 3.33Å; D87-T90 PolarHBondContact O-N 3.1Å; D87-T90 VanDerWaalsContact O-N 3.11Å; D87-T90 PolarHBondContact OD2-N 3.07Å; D87-T90 VanDerWaalsContact OD2-N 3.08Å; D87-T90 PolarHBondContact OD2-OG1 3.44Å; T90-K92 PolarHBondContact O-N 2.62Å; T90-Q93 WeakPolarHBondContact O-CB 2.99Å; T90-Q93 PolarHBondContact O-N 3.09Å; T90-Q93 VanDerWaalsContact O-N 3.15Å; T90-A94 PolarHBondContact O-N 2.9Å
91	Q	89.8	Confident	82.4	Confident	45 Å²	45	46.6 Å²	46.6	21%	0.21	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-46.4	175.7	168.3	173	66.1	0	0	112.2	F82 D87 Q93 A94 Y95 H396	F82-Q91 HydrophobicContact CD1-CB 4.11Å; F82-Q91 HydrophobicContact CD1-CG 4.06Å; F82-Q91 VanDerWaalsContact CD2-NE2 3.25Å; F82-Q91 HydrophobicContact CE1-CB 3.7Å; F82-Q91 HydrophobicContact CE1-CG 3.47Å; F82-Q91 VanDerWaalsContact CE1-CG 3.47Å; F82-Q91 HydrophobicContact CE2-CG 4.2Å; F82-Q91 HydrophobicContact CZ-CB 4.28Å; F82-Q91 HydrophobicContact CZ-CG 3.54Å; D87-Q91 PolarHBondContact O-N 2.97Å; Q91-Q93 VanDerWaalsContact C-N 3.31Å; Q91-Q93 PolarHBondContact O-N 3.36Å; Q91-A94 PolarHBondContact O-N 2.7Å; Q91-Y95 HydrophobicContact CG-CD2 3.82Å; Q91-Y95 HydrophobicContact CG-CE2 3.84Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.25Å; Q91-Y95 PolarHBondContact O-N 2.67Å; Q91-H396 PolarHBondContact OE1-NE2 2.88Å
92	K	91.6	Very high	84.2	Confident	75 Å²	75	45.9 Å²	45.9	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-41.4	176.9	178.2	178.4	170.6	176.1	0	111.5	K88 A89 T90 Y95 Q96	K88-K92 WeakPolarHBondContact O-CB 3.23Å; K88-K92 PolarHBondContact O-N 3.4Å; A89-K92 PolarHBondContact O-N 3.45Å; T90-K92 PolarHBondContact O-N 2.62Å; K92-Y95 PolarHBondContact O-N 2.81Å; K92-Q96 WeakPolarHBondContact O-CB 3.49Å; K92-Q96 PolarHBondContact O-N 2.81Å
93	Q	93.3	Very high	85.8	Confident	54 Å²	54	45 Å²	45	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-40.1	176.8	-163.6	-179.5	9.6	0	0	111.8	V49 A89 T90 Q91 Q96 L97	V49-Q93 HydrophobicContact CG1-CB 4.1Å; V49-Q93 HydrophobicContact CG1-CG 3.85Å; V49-Q93 HydrophobicContact CG2-CB 4.35Å; V49-Q93 HydrophobicContact CG2-CG 4.48Å; A89-Q93 PolarHBondContact O-N 2.65Å; T90-Q93 WeakPolarHBondContact O-CB 2.99Å; T90-Q93 PolarHBondContact O-N 3.09Å; T90-Q93 VanDerWaalsContact O-N 3.15Å; Q91-Q93 VanDerWaalsContact C-N 3.31Å; Q91-Q93 PolarHBondContact O-N 3.36Å; Q93-Q96 WeakPolarHBondContact O-CB 3.4Å; Q93-Q96 PolarHBondContact O-N 3.04Å; Q93-L97 WeakPolarHBondContact O-CB 3.11Å; Q93-L97 PolarHBondContact O-N 2.81Å
94	A	95.1	Very high	87.7	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-47.3	176.5	0	0	0	0	0	112.1	V49 Q52 A53 I56 T90 Q91 Q96 L97 A98	V49-A94 HydrophobicContact CG1-CB 4.35Å; Q52-A94 HydrophobicContact CB-CB 3.53Å; A53-A94 HydrophobicContact CB-CB 4.42Å; A53-A94 WeakPolarHBondContact CB-O 3.01Å; I56-A94 HydrophobicContact CD1-CB 3.78Å; T90-A94 PolarHBondContact O-N 2.9Å; Q91-A94 PolarHBondContact O-N 2.7Å; A94-Q96 VanDerWaalsContact C-N 3.31Å; A94-Q96 PolarHBondContact O-N 2.84Å; A94-L97 PolarHBondContact O-N 2.72Å; A94-A98 WeakPolarHBondContact O-CB 3.32Å; A94-A98 PolarHBondContact O-N 2.89Å
95	Y	96.1	Very high	89.9	Confident	8 Å²	8	33.3 Å²	33.3	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-39.1	173.3	-85.5	-70.1	0	0	0	112.2	I56 R59 F82 Q91 K92 A98 F99 W402 L405	I56-Y95 HydrophobicContact CD1-CD1 3.98Å; I56-Y95 HydrophobicContact CD1-CD2 4.14Å; I56-Y95 HydrophobicContact CD1-CE1 4.14Å; I56-Y95 HydrophobicContact CD1-CE2 4.31Å; I56-Y95 HydrophobicContact CD1-CG 3.97Å; I56-Y95 HydrophobicContact CG1-CD1 4.4Å; I56-Y95 HydrophobicContact CG1-CE1 4.19Å; I56-Y95 HydrophobicContact CG2-CD1 3.62Å; I56-Y95 HydrophobicContact CG2-CE1 3.69Å; R59-Y95 PolarHBondContact NH2-OH 3.36Å; F82-Y95 HydrophobicContact CE2-CD2 4.5Å; F82-Y95 AromaticContact CE2-CE2 3.53Å; F82-Y95 HydrophobicContact CE2-CE2 3.53Å; F82-Y95 AromaticContact CE2-CZ 3.8Å; F82-Y95 AromaticContact CZ-CD2 3.93Å; F82-Y95 HydrophobicContact CZ-CD2 3.93Å; F82-Y95 AromaticContact CZ-CE2 3.39Å; F82-Y95 HydrophobicContact CZ-CE2 3.39Å; F82-Y95 AromaticContact CZ-CZ 3.98Å; Q91-Y95 HydrophobicContact CG-CD2 3.82Å; Q91-Y95 HydrophobicContact CG-CE2 3.84Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.25Å; Q91-Y95 PolarHBondContact O-N 2.67Å; K92-Y95 PolarHBondContact O-N 2.81Å; Y95-A98 PolarHBondContact O-N 3.3Å; Y95-F99 WeakPolarHBondContact O-CB 3.41Å; Y95-F99 PolarHBondContact O-N 2.88Å; Y95-W402 AromaticContact CD1-CD2 3.98Å; Y95-W402 HydrophobicContact CD1-CD2 3.98Å; Y95-W402 AromaticContact CD1-CE3 3.66Å; Y95-W402 HydrophobicContact CD1-CE3 3.66Å; Y95-W402 HydrophobicContact CD1-CH2 4.36Å; Y95-W402 AromaticContact CD1-CZ3 3.88Å; Y95-W402 HydrophobicContact CD1-CZ3 3.88Å; Y95-W402 AromaticContact CD2-CH2 3.97Å; Y95-W402 HydrophobicContact CD2-CH2 3.97Å; Y95-W402 AromaticContact CD2-CZ2 3.95Å; Y95-W402 HydrophobicContact CD2-CZ2 3.95Å; Y95-W402 HydrophobicContact CD2-CZ3 4.31Å; Y95-W402 HydrophobicContact CE1-CB 4.12Å; Y95-W402 AromaticContact CE1-CD2 3.63Å; Y95-W402 HydrophobicContact CE1-CD2 3.63Å; Y95-W402 AromaticContact CE1-CE3 3.79Å; Y95-W402 HydrophobicContact CE1-CE3 3.79Å; Y95-W402 AromaticContact CE1-CG 3.8Å; Y95-W402 HydrophobicContact CE1-CG 3.8Å; Y95-W402 HydrophobicContact CE1-CZ3 4.38Å; Y95-W402 HydrophobicContact CE2-CD2 4.22Å; Y95-W402 AromaticContact CE2-CE2 3.86Å; Y95-W402 HydrophobicContact CE2-CH2 4.4Å; Y95-W402 AromaticContact CE2-CZ2 3.94Å; Y95-W402 HydrophobicContact CE2-CZ2 3.94Å; Y95-W402 HydrophobicContact CG-CD2 4.43Å; Y95-W402 HydrophobicContact CG-CE3 4.1Å; Y95-W402 AromaticContact CG-CH2 3.95Å; Y95-W402 HydrophobicContact CG-CH2 3.95Å; Y95-W402 HydrophobicContact CG-CZ2 4.32Å; Y95-W402 AromaticContact CG-CZ3 3.85Å; Y95-W402 HydrophobicContact CG-CZ3 3.85Å; Y95-W402 AromaticContact CZ-CD2 3.75Å; Y95-W402 AromaticContact CZ-CE2 3.81Å; Y95-W402 AromaticContact CZ-CG 3.85Å; Y95-W402 AromaticContact CZ-NE1 3.98Å; Y95-L405 HydrophobicContact CD1-CD1 3.93Å
96	Q	96.7	Very high	91.9	Very high	40 Å²	40	32.7 Å²	32.7	19%	0.187	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-45.9	177.9	-171.1	71.6	57.5	0	0	111.6	K92 Q93 A94 F99 N100 D390 V392	K92-Q96 WeakPolarHBondContact O-CB 3.49Å; K92-Q96 PolarHBondContact O-N 2.81Å; Q93-Q96 WeakPolarHBondContact O-CB 3.4Å; Q93-Q96 PolarHBondContact O-N 3.04Å; A94-Q96 VanDerWaalsContact C-N 3.31Å; A94-Q96 PolarHBondContact O-N 2.84Å; Q96-F99 PolarHBondContact O-N 2.8Å; Q96-N100 WeakPolarHBondContact O-CB 3.39Å; Q96-N100 PolarHBondContact O-N 3.27Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; Q96-D390 PolarHBondContact NE2-OD1 3.05Å; Q96-D390 PolarHBondContact NE2-OD2 2.87Å; Q96-D390 PolarHBondContact OE1-OD2 3.39Å; Q96-V392 HydrophobicContact CB-CG1 4.21Å
97	L	96.9	Very high	93.5	Very high	11 Å²	11	30.6 Å²	30.6	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-44.3	179.3	178.5	60.3	0	0	0	111.4	P45 V49 F50 A53 Q93 A94 N100 T101 V133 Y136 D137	P45-L97 HydrophobicContact CB-CD2 4.33Å; P45-L97 HydrophobicContact CG-CD2 4.21Å; V49-L97 HydrophobicContact CG1-CD2 4.44Å; F50-L97 HydrophobicContact CD1-CD2 3.41Å; F50-L97 VanDerWaalsContact CD1-CD2 3.41Å; F50-L97 HydrophobicContact CE1-CD2 3.49Å; F50-L97 VanDerWaalsContact CE1-CD2 3.49Å; A53-L97 HydrophobicContact CB-CB 3.93Å; A53-L97 HydrophobicContact CB-CD2 3.69Å; A53-L97 HydrophobicContact CB-CG 3.88Å; Q93-L97 WeakPolarHBondContact O-CB 3.11Å; Q93-L97 PolarHBondContact O-N 2.81Å; A94-L97 PolarHBondContact O-N 2.72Å; L97-N100 PolarHBondContact O-N 2.83Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 3.31Å; L97-T101 PolarHBondContact O-OG1 3.49Å; L97-V133 HydrophobicContact CD2-CB 4.34Å; L97-V133 HydrophobicContact CG-CB 4.31Å; L97-Y136 HydrophobicContact CD1-CD1 3.67Å; L97-Y136 HydrophobicContact CD1-CE1 4.14Å; L97-D137 HydrophobicContact CD1-CB 4.29Å
98	A	97.6	Very high	94.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-47.3	175.3	0	0	0	0	0	111.6	A53 I56 F57 A94 Y95 N100 T101 L102	A53-A98 HydrophobicContact CB-CB 4.39Å; A53-A98 WeakPolarHBondContact O-CB 3.5Å; I56-A98 HydrophobicContact CB-CB 3.82Å; I56-A98 HydrophobicContact CG2-CB 3.51Å; F57-A98 HydrophobicContact CB-CB 4.29Å; A94-A98 WeakPolarHBondContact O-CB 3.32Å; A94-A98 PolarHBondContact O-N 2.89Å; Y95-A98 PolarHBondContact O-N 3.3Å; A98-N100 VanDerWaalsContact C-N 3.34Å; A98-N100 PolarHBondContact O-N 2.86Å; A98-T101 WeakPolarHBondContact O-CB 3.41Å; A98-T101 PolarHBondContact O-N 2.91Å; A98-T101 VanDerWaalsContact O-N 3.1Å; A98-L102 WeakPolarHBondContact O-CG 3.25Å; A98-L102 PolarHBondContact O-N 2.89Å
99	F	97.6	Very high	94.9	Very high	7 Å²	7	22 Å²	22	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-59.3	-44.4	177.6	178	-119.7	0	0	0	112.2	Y95 Q96 T101 L102 K103 P391 V392 L405 L408	Y95-F99 WeakPolarHBondContact O-CB 3.41Å; Y95-F99 PolarHBondContact O-N 2.88Å; Q96-F99 PolarHBondContact O-N 2.8Å; F99-T101 VanDerWaalsContact C-N 3.31Å; F99-T101 PolarHBondContact O-N 3.05Å; F99-L102 PolarHBondContact O-N 3.39Å; F99-K103 WeakPolarHBondContact O-CG 3.36Å; F99-K103 PolarHBondContact O-N 3.17Å; F99-P391 HydrophobicContact CE1-CG 3.82Å; F99-P391 HydrophobicContact CE2-CG 4.16Å; F99-P391 HydrophobicContact CZ-CG 3.61Å; F99-V392 HydrophobicContact CB-CG2 3.71Å; F99-V392 HydrophobicContact CD1-CG2 3.65Å; F99-V392 HydrophobicContact CE1-CG2 4.46Å; F99-V392 HydrophobicContact CG-CG2 3.79Å; F99-L405 HydrophobicContact CB-CD1 4.37Å; F99-L405 HydrophobicContact CD2-CB 4.05Å; F99-L405 HydrophobicContact CD2-CD2 3.81Å; F99-L405 HydrophobicContact CD2-CG 4.35Å; F99-L405 HydrophobicContact CE2-CD2 4.13Å; F99-L405 WeakPolarHBondContact CE2-O 3.4Å; F99-L405 HydrophobicContact CG-CD2 4.3Å; F99-L408 HydrophobicContact CE2-CB 4.01Å; F99-L408 HydrophobicContact CZ-CB 4.33Å
100	N	97.1	Very high	95.4	Very high	28 Å²	28	19.8 Å²	19.8	15%	0.15	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-37.6	175.7	-73.4	-21.9	0	0	0	112	Q96 L97 A98 K103 Y104 Y136	Q96-N100 WeakPolarHBondContact O-CB 3.39Å; Q96-N100 PolarHBondContact O-N 3.27Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; L97-N100 PolarHBondContact O-N 2.83Å; A98-N100 VanDerWaalsContact C-N 3.34Å; A98-N100 PolarHBondContact O-N 2.86Å; N100-K103 WeakPolarHBondContact O-CB 3.43Å; N100-K103 PolarHBondContact O-N 3.46Å; N100-K103 PolarHBondContact OD1-NZ 3.2Å; N100-Y104 WeakPolarHBondContact O-CD2 3.46Å; N100-Y136 HydrophobicContact CB-CD1 4.32Å; N100-Y136 HydrophobicContact CB-CE1 3.56Å; N100-Y136 HydrophobicContact CB-CE2 4.07Å; N100-Y136 VanDerWaalsContact CB-CZ 3.44Å; N100-Y136 WeakPolarHBondContact CB-OH 3.28Å
101	T	97.9	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-42.5	175.1	-54	0	0	0	0	111.5	F57 L97 A98 F99 K103 Y104 Q105 L108 M132 V133	F57-T101 HydrophobicContact CD2-CG2 3.67Å; F57-T101 HydrophobicContact CE2-CG2 3.66Å; F57-T101 HydrophobicContact CG-CG2 4.34Å; F57-T101 HydrophobicContact CZ-CG2 4.33Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 3.31Å; L97-T101 PolarHBondContact O-OG1 3.49Å; A98-T101 WeakPolarHBondContact O-CB 3.41Å; A98-T101 PolarHBondContact O-N 2.91Å; A98-T101 VanDerWaalsContact O-N 3.1Å; F99-T101 VanDerWaalsContact C-N 3.31Å; F99-T101 PolarHBondContact O-N 3.05Å; T101-K103 VanDerWaalsContact C-N 3.28Å; T101-K103 PolarHBondContact O-N 3.1Å; T101-Y104 CarbonylContact O-C 3.47Å; T101-Y104 PolarHBondContact O-N 2.97Å; T101-Q105 PolarHBondContact O-N 3.38Å; T101-Q105 VanDerWaalsContact O-N 3.13Å; T101-L108 HydrophobicContact CG2-CD1 3.83Å; T101-M132 HydrophobicContact CG2-CB 4.07Å; T101-V133 HydrophobicContact CG2-CG1 4.06Å
102	L	97.3	Very high	96.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-56.9	-38.4	177.4	-71.4	170	0	0	0	112.5	F57 L60 R61 A98 F99 Y104 Q105 L405	F57-L102 HydrophobicContact CD2-CD2 3.7Å; F57-L102 HydrophobicContact CD2-CG 3.99Å; F57-L102 HydrophobicContact CE2-CD2 3.8Å; F57-L102 HydrophobicContact CE2-CG 4.35Å; L60-L102 HydrophobicContact CB-CD1 3.91Å; L60-L102 HydrophobicContact CB-CD2 4.45Å; L60-L102 HydrophobicContact CD1-CD1 4.43Å; R61-L102 HydrophobicContact CB-CD2 4.17Å; A98-L102 WeakPolarHBondContact O-CG 3.25Å; A98-L102 PolarHBondContact O-N 2.89Å; F99-L102 PolarHBondContact O-N 3.39Å; L102-Y104 PolarHBondContact O-N 3.33Å; L102-Q105 WeakPolarHBondContact O-CB 3.5Å; L102-Q105 PolarHBondContact O-N 2.8Å; L102-L405 HydrophobicContact CD1-CB 4.44Å
103	K	96.9	Very high	96.3	Very high	13 Å²	13	14.3 Å²	14.3	6%	0.057	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-31.8	177.7	-65	171.7	-172.2	168.1	0	112.8	F99 N100 T101 F193 L194 E202	F99-K103 WeakPolarHBondContact O-CG 3.36Å; F99-K103 PolarHBondContact O-N 3.17Å; N100-K103 WeakPolarHBondContact O-CB 3.43Å; N100-K103 PolarHBondContact O-N 3.46Å; N100-K103 PolarHBondContact OD1-NZ 3.2Å; T101-K103 VanDerWaalsContact C-N 3.28Å; T101-K103 PolarHBondContact O-N 3.1Å; K103-F193 WeakPolarHBondContact O-CE1 3.46Å; K103-L194 HydrophobicContact CB-CD1 4.38Å; K103-L194 HydrophobicContact CB-CD2 3.84Å; K103-L194 HydrophobicContact CD-CD1 4.29Å; K103-L194 WeakPolarHBondContact O-CD2 3.44Å; K103-E202 VanDerWaalsContact CD-OE1 3.29Å; K103-E202 WeakPolarHBondContact CD-OE1 3.43Å; K103-E202 IonicContact NZ-OE1 2.73Å; K103-E202 PolarHBondContact NZ-OE1 3.08Å
104	Y	96.9	Very high	96.4	Very high	14 Å²	14	15.3 Å²	15.3	6%	0.055	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	16.6	-175.7	-63	-85.4	0	0	0	112.6	N100 T101 L102 D106 L107 L108 Y136 V190 F193 L194	N100-Y104 WeakPolarHBondContact O-CD2 3.46Å; T101-Y104 CarbonylContact O-C 3.47Å; T101-Y104 PolarHBondContact O-N 2.97Å; L102-Y104 PolarHBondContact O-N 3.33Å; Y104-D106 PolarHBondContact O-N 2.98Å; Y104-L107 HydrophobicContact CD1-CD1 4.46Å; Y104-L107 PolarHBondContact O-N 3.44Å; Y104-L107 VanDerWaalsContact O-N 3.16Å; Y104-L108 VanDerWaalsContact O-CG 3.3Å; Y104-L108 WeakPolarHBondContact O-CG 3.33Å; Y104-L108 PolarHBondContact O-N 3.42Å; Y104-Y136 HydrophobicContact CD2-CD2 4Å; Y104-Y136 AromaticContact CD2-CE2 3.56Å; Y104-Y136 HydrophobicContact CD2-CE2 3.56Å; Y104-Y136 AromaticContact CE2-CE2 3.88Å; Y104-Y136 HydrophobicContact CE2-CE2 3.88Å; Y104-Y136 HydrophobicContact CG-CE2 4.48Å; Y104-V190 HydrophobicContact CD1-CG1 4.09Å; Y104-V190 HydrophobicContact CE1-CG1 3.82Å; Y104-F193 HydrophobicContact CD1-CB 4.38Å; Y104-F193 AromaticContact CD1-CD1 3.73Å; Y104-F193 HydrophobicContact CD1-CD1 3.73Å; Y104-F193 HydrophobicContact CD1-CG 4.41Å; Y104-F193 HydrophobicContact CE1-CB 4.36Å; Y104-F193 HydrophobicContact CE1-CD1 4.3Å; Y104-L194 HydrophobicContact CD1-CD2 4.25Å; Y104-L194 HydrophobicContact CE1-CD1 4.2Å; Y104-L194 HydrophobicContact CE1-CD2 3.98Å; Y104-L194 HydrophobicContact CE1-CG 3.81Å; Y104-L194 HydrophobicContact CE2-CD1 4Å; Y104-L194 HydrophobicContact CE2-CD2 4.42Å; Y104-L194 HydrophobicContact CE2-CG 4.41Å; Y104-L194 VanDerWaalsContact OH-CD1 3.25Å; Y104-L194 WeakPolarHBondContact OH-CD1 3.34Å
105	Q	95.9	Very high	96.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-49.4	-54.6	-174.2	179.2	-179.8	-21.1	0	0	112.2	F57 R62 T101 L102 L107 L108 E109 M132	F57-Q105 HydrophobicContact CE2-CB 4.5Å; F57-Q105 HydrophobicContact CE2-CG 4.4Å; F57-Q105 HydrophobicContact CZ-CG 4.12Å; R62-Q105 PolarHBondContact O-NE2 2.94Å; R62-Q105 VanDerWaalsContact O-NE2 3.1Å; T101-Q105 PolarHBondContact O-N 3.38Å; T101-Q105 VanDerWaalsContact O-N 3.13Å; L102-Q105 WeakPolarHBondContact O-CB 3.5Å; L102-Q105 PolarHBondContact O-N 2.8Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.1Å; Q105-L108 PolarHBondContact O-N 3.3Å; Q105-E109 HydrophobicContact CG-CG 4.39Å; Q105-E109 VanDerWaalsContact CG-OE1 3.26Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.35Å; Q105-E109 PolarHBondContact NE2-OE1 2.87Å; Q105-E109 WeakPolarHBondContact O-CB 3.45Å; Q105-E109 WeakPolarHBondContact O-CG 3.29Å; Q105-E109 PolarHBondContact O-N 3.22Å; Q105-M132 HydrophobicContact CG-CE 4.29Å
106	D	94.9	Very high	96.2	Very high	58 Å²	58	20.8 Å²	20.8	31%	0.31	11%	0.108	S	C	.	.	H	α-helix	trans	-64.1	-38.3	-176	-52.6	-35.4	0	0	0	112.9	K64 Y104 A110 F193	K64-D106 WeakPolarHBondContact CE-OD1 3.33Å; K64-D106 IonicContact NZ-OD1 3.18Å; K64-D106 PolarHBondContact NZ-OD1 2.71Å; Y104-D106 PolarHBondContact O-N 2.98Å; D106-A110 WeakPolarHBondContact O-CB 3.39Å; D106-A110 PolarHBondContact O-N 3.27Å; D106-F193 HydrophobicContact CB-CZ 3.9Å
107	L	96.3	Very high	96	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.9	-46.3	177.4	176.6	157.5	0	0	0	110.3	Y104 Q105 A110 V111 L178 F181 V190 F193	Y104-L107 HydrophobicContact CD1-CD1 4.46Å; Y104-L107 PolarHBondContact O-N 3.44Å; Y104-L107 VanDerWaalsContact O-N 3.16Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.1Å; L107-A110 PolarHBondContact O-N 2.64Å; L107-V111 HydrophobicContact CD2-CG2 4.18Å; L107-V111 VanDerWaalsContact O-CG2 3.29Å; L107-V111 WeakPolarHBondContact O-CG2 3.42Å; L107-V111 PolarHBondContact O-N 3.26Å; L107-L178 HydrophobicContact CD1-CD1 4.31Å; L107-L178 HydrophobicContact CD2-CD1 3.72Å; L107-L178 HydrophobicContact CG-CD1 4.28Å; L107-F181 HydrophobicContact CB-CE1 4.1Å; L107-F181 HydrophobicContact CB-CZ 4.24Å; L107-F181 HydrophobicContact CD1-CD1 4.1Å; L107-F181 HydrophobicContact CD1-CE1 3.9Å; L107-F181 HydrophobicContact CG-CD1 4.01Å; L107-F181 HydrophobicContact CG-CE1 3.85Å; L107-F181 HydrophobicContact CG-CZ 4.41Å; L107-V190 HydrophobicContact CD1-CG1 4.14Å; L107-F193 HydrophobicContact CB-CD1 4.21Å; L107-F193 HydrophobicContact CB-CD2 4.05Å; L107-F193 HydrophobicContact CB-CE1 4.2Å; L107-F193 HydrophobicContact CB-CE2 4.03Å; L107-F193 HydrophobicContact CB-CG 4.16Å; L107-F193 HydrophobicContact CB-CZ 4.14Å; L107-F193 HydrophobicContact CD1-CB 3.89Å; L107-F193 HydrophobicContact CD1-CD1 4.41Å; L107-F193 HydrophobicContact CD1-CD2 4.08Å; L107-F193 HydrophobicContact CD1-CG 3.85Å
108	L	96.9	Very high	95.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-67.8	-41.1	-178.4	-67.1	170	0	0	0	111.8	T101 Y104 Q105 A110 V111 I112 M132 L135 Y136 Q139	T101-L108 HydrophobicContact CG2-CD1 3.83Å; Y104-L108 VanDerWaalsContact O-CG 3.3Å; Y104-L108 WeakPolarHBondContact O-CG 3.33Å; Y104-L108 PolarHBondContact O-N 3.42Å; Q105-L108 PolarHBondContact O-N 3.3Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 2.96Å; L108-V111 PolarHBondContact O-N 2.73Å; L108-I112 WeakPolarHBondContact O-CG1 3.42Å; L108-I112 PolarHBondContact O-N 2.91Å; L108-M132 HydrophobicContact CB-CE 3.51Å; L108-M132 HydrophobicContact CB-SD 3.92Å; L108-M132 HydrophobicContact CD1-CE 4.31Å; L108-L135 HydrophobicContact CD2-CB 4.49Å; L108-L135 HydrophobicContact CD2-CD2 3.97Å; L108-L135 HydrophobicContact CD2-CG 3.89Å; L108-Y136 HydrophobicContact CD1-CD2 4.35Å; L108-Q139 HydrophobicContact CD2-CG 4.49Å
109	E	95.9	Very high	95.2	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-45.1	173.3	-74.3	176.4	-171.6	0	0	111.4	K64 L70 L71 Q105 V111 I112 S113 M132	K64-E109 IonicContact NZ-OE2 2.71Å; K64-E109 PolarHBondContact NZ-OE2 2.96Å; L70-E109 HydrophobicContact CB-CB 4.37Å; L70-E109 HydrophobicContact CD1-CB 4.27Å; L71-E109 HydrophobicContact CD1-CB 4.17Å; L71-E109 HydrophobicContact CD1-CG 4.03Å; L71-E109 HydrophobicContact CG-CB 4.42Å; L71-E109 HydrophobicContact CG-CG 4.45Å; Q105-E109 HydrophobicContact CG-CG 4.39Å; Q105-E109 VanDerWaalsContact CG-OE1 3.26Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.35Å; Q105-E109 PolarHBondContact NE2-OE1 2.87Å; Q105-E109 WeakPolarHBondContact O-CB 3.45Å; Q105-E109 WeakPolarHBondContact O-CG 3.29Å; Q105-E109 PolarHBondContact O-N 3.22Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-V111 PolarHBondContact O-N 2.84Å; E109-I112 PolarHBondContact O-N 3.32Å; E109-S113 VanDerWaalsContact O-CB 3.29Å; E109-S113 WeakPolarHBondContact O-CB 3.28Å; E109-S113 PolarHBondContact O-N 2.76Å; E109-M132 HydrophobicContact CG-CE 3.76Å; E109-M132 HydrophobicContact CG-SD 4.25Å
110	A	96.3	Very high	94.6	Very high	16 Å²	16	28.7 Å²	28.7	13%	0.132	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-40.5	175.8	0	0	0	0	0	111.8	L70 D106 L107 L108 S113 D114 F181	L70-A110 HydrophobicContact CD1-CB 4.09Å; D106-A110 WeakPolarHBondContact O-CB 3.39Å; D106-A110 PolarHBondContact O-N 3.27Å; L107-A110 PolarHBondContact O-N 2.64Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 2.96Å; A110-S113 PolarHBondContact O-N 3.03Å; A110-D114 VanDerWaalsContact O-CB 3.26Å; A110-D114 WeakPolarHBondContact O-CB 3.42Å; A110-D114 PolarHBondContact O-N 2.64Å; A110-F181 HydrophobicContact CB-CD2 3.62Å; A110-F181 HydrophobicContact CB-CE2 3.55Å
111	V	96.9	Very high	94.1	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-48.1	178.4	168.4	0	0	0	0	111.6	L107 L108 E109 S113 S115 L135 L174 S177 L178	L107-V111 HydrophobicContact CD2-CG2 4.18Å; L107-V111 VanDerWaalsContact O-CG2 3.29Å; L107-V111 WeakPolarHBondContact O-CG2 3.42Å; L107-V111 PolarHBondContact O-N 3.26Å; L108-V111 PolarHBondContact O-N 2.73Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-V111 PolarHBondContact O-N 2.84Å; V111-S113 VanDerWaalsContact C-N 3.33Å; V111-S113 PolarHBondContact O-N 2.92Å; V111-S115 VanDerWaalsContact O-CB 3.27Å; V111-S115 WeakPolarHBondContact O-CB 3.39Å; V111-S115 PolarHBondContact O-N 2.96Å; V111-S115 PolarHBondContact O-OG 3.32Å; V111-S115 VanDerWaalsContact O-OG 3.09Å; V111-L135 HydrophobicContact CB-CD2 4.47Å; V111-L135 HydrophobicContact CG1-CD2 4.07Å; V111-L174 HydrophobicContact CG1-CD2 4.02Å; V111-S177 VanDerWaalsContact CA-OG 3.24Å; V111-S177 WeakPolarHBondContact CA-OG 3.42Å; V111-S177 PolarHBondContact O-OG 3.49Å; V111-L178 HydrophobicContact CG2-CB 4.01Å; V111-L178 HydrophobicContact CG2-CD1 4Å
112	I	96	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-38	179.1	-69.4	177.1	0	0	0	111.7	L71 L108 E109 S115 F116 F117 H118 A131 M132 L135	L71-I112 HydrophobicContact CD1-CB 4.01Å; L71-I112 HydrophobicContact CD1-CD1 4.23Å; L71-I112 HydrophobicContact CD1-CG2 3.83Å; L71-I112 HydrophobicContact CD2-CG2 3.89Å; L108-I112 WeakPolarHBondContact O-CG1 3.42Å; L108-I112 PolarHBondContact O-N 2.91Å; E109-I112 PolarHBondContact O-N 3.32Å; I112-S115 PolarHBondContact O-OG 2.96Å; I112-F116 PolarHBondContact O-N 2.79Å; I112-F117 HydrophobicContact CG1-CD1 4.44Å; I112-F117 HydrophobicContact CG2-CD1 4.37Å; I112-F117 PolarHBondContact O-N 3.36Å; I112-F117 VanDerWaalsContact O-N 3.17Å; I112-H118 HydrophobicContact CG2-CB 3.85Å; I112-H118 PolarHBondContact O-ND1 2.86Å; I112-A131 HydrophobicContact CD1-CB 4.49Å; I112-M132 HydrophobicContact CD1-CG 4.43Å; I112-M132 HydrophobicContact CD1-SD 3.61Å; I112-L135 HydrophobicContact CD1-CD2 3.88Å; I112-L135 HydrophobicContact CG1-CD2 3.48Å; I112-L135 VanDerWaalsContact CG1-CD2 3.48Å
113	S	94.2	Very high	92.7	Very high	36 Å²	36	35.1 Å²	35.1	25%	0.252	18%	0.182	S	C	.	.	H	α-helix	trans	-71.5	-51.8	-179.5	-169.2	0	0	0	0	111.7	E109 A110 V111 S115 F116	E109-S113 VanDerWaalsContact O-CB 3.29Å; E109-S113 WeakPolarHBondContact O-CB 3.28Å; E109-S113 PolarHBondContact O-N 2.76Å; A110-S113 PolarHBondContact O-N 3.03Å; V111-S113 VanDerWaalsContact C-N 3.33Å; V111-S113 PolarHBondContact O-N 2.92Å; S113-S115 VanDerWaalsContact C-N 3.3Å; S113-S115 PolarHBondContact O-N 2.98Å; S113-F116 PolarHBondContact O-N 2.92Å
114	D	95.8	Very high	92	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-30.9	-179.9	178.2	80.7	0	0	0	112.6	A110 F116 S177 R180	A110-D114 VanDerWaalsContact O-CB 3.26Å; A110-D114 WeakPolarHBondContact O-CB 3.42Å; A110-D114 PolarHBondContact O-N 2.64Å; D114-F116 VanDerWaalsContact C-N 3.27Å; D114-F116 WeakPolarHBondContact O-CD2 3.49Å; D114-F116 PolarHBondContact O-N 3.25Å; D114-S177 WeakPolarHBondContact OD2-CB 3.37Å; D114-S177 PolarHBondContact OD2-OG 3.35Å; D114-R180 IonicContact OD1-NE 3.57Å; D114-R180 IonicContact OD2-CZ 3.81Å; D114-R180 IonicContact OD2-NE 3.64Å; D114-R180 PolarHBondContact OD2-NE 3.32Å; D114-R180 IonicContact OD2-NH2 3.13Å; D114-R180 PolarHBondContact OD2-NH2 2.72Å
115	S	94.7	Very high	91.4	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.035	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.7	172.8	79.2	0	0	0	0	112.8	V111 I112 S113 F117 W170 L174	V111-S115 VanDerWaalsContact O-CB 3.27Å; V111-S115 WeakPolarHBondContact O-CB 3.39Å; V111-S115 PolarHBondContact O-N 2.96Å; V111-S115 PolarHBondContact O-OG 3.32Å; V111-S115 VanDerWaalsContact O-OG 3.09Å; I112-S115 PolarHBondContact O-OG 2.96Å; S113-S115 VanDerWaalsContact C-N 3.3Å; S113-S115 PolarHBondContact O-N 2.98Å; S115-F117 PolarHBondContact O-N 3.06Å; S115-F117 WeakPolarHBondContact OG-CB 3.5Å; S115-F117 PolarHBondContact OG-N 3.38Å; S115-W170 WeakPolarHBondContact O-CH2 3.38Å; S115-W170 WeakPolarHBondContact O-CZ3 3.28Å; S115-L174 WeakPolarHBondContact OG-CD2 3.33Å
116	F	92.3	Very high	90.8	Very high	119 Å²	119	46.5 Å²	46.5	52%	0.522	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	20.3	-171.3	-62.2	-94.8	0	0	0	114.3	I112 S113 D114 H118 K119 S120	I112-F116 PolarHBondContact O-N 2.79Å; S113-F116 PolarHBondContact O-N 2.92Å; D114-F116 VanDerWaalsContact C-N 3.27Å; D114-F116 WeakPolarHBondContact O-CD2 3.49Å; D114-F116 PolarHBondContact O-N 3.25Å; F116-H118 PolarHBondContact O-N 3.03Å; F116-K119 HydrophobicContact CD1-CD 4.28Å; F116-K119 PolarHBondContact O-N 3.49Å; F116-S120 PolarHBondContact O-N 2.98Å; F116-S120 PolarHBondContact O-OG 3.14Å
117	F	92.1	Very high	90.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-46.2	-171.8	171	-115.5	0	0	0	111.5	I112 S115 K119 S120 Q121 I123 A131 L163 L167 W170 L174	I112-F117 HydrophobicContact CG1-CD1 4.44Å; I112-F117 HydrophobicContact CG2-CD1 4.37Å; I112-F117 PolarHBondContact O-N 3.36Å; I112-F117 VanDerWaalsContact O-N 3.17Å; S115-F117 PolarHBondContact O-N 3.06Å; S115-F117 WeakPolarHBondContact OG-CB 3.5Å; S115-F117 PolarHBondContact OG-N 3.38Å; F117-K119 PolarHBondContact O-N 2.76Å; F117-S120 PolarHBondContact O-N 2.89Å; F117-Q121 HydrophobicContact CD2-CG 3.78Å; F117-Q121 HydrophobicContact CE2-CB 4.4Å; F117-Q121 HydrophobicContact CE2-CG 3.68Å; F117-Q121 WeakPolarHBondContact O-CB 3.31Å; F117-Q121 PolarHBondContact O-N 3.13Å; F117-I123 HydrophobicContact CD1-CD1 3.6Å; F117-I123 HydrophobicContact CE1-CD1 3.08Å; F117-I123 HydrophobicContact CE2-CD1 4.09Å; F117-I123 HydrophobicContact CG-CD1 4.29Å; F117-I123 HydrophobicContact CZ-CD1 3.36Å; F117-A131 HydrophobicContact CE1-CB 4.46Å; F117-L163 HydrophobicContact CE1-CD1 4.32Å; F117-L163 HydrophobicContact CZ-CD1 4.04Å; F117-L167 HydrophobicContact CE1-CD2 3.74Å; F117-L167 HydrophobicContact CE1-CG 4.42Å; F117-L167 HydrophobicContact CE2-CD2 4.24Å; F117-L167 HydrophobicContact CZ-CD2 3.52Å; F117-L167 HydrophobicContact CZ-CG 3.85Å; F117-W170 HydrophobicContact CB-CE3 4.43Å; F117-W170 HydrophobicContact CD2-CB 3.65Å; F117-W170 AromaticContact CD2-CD2 3.99Å; F117-W170 HydrophobicContact CD2-CD2 3.99Å; F117-W170 HydrophobicContact CD2-CE3 4.43Å; F117-W170 AromaticContact CD2-CG 3.6Å; F117-W170 HydrophobicContact CD2-CG 3.6Å; F117-W170 HydrophobicContact CE2-CB 3.87Å; F117-W170 HydrophobicContact CE2-CG 4.04Å; F117-L174 HydrophobicContact CB-CD2 4.05Å; F117-L174 HydrophobicContact CD2-CD1 4.39Å; F117-L174 HydrophobicContact CE2-CD1 4.5Å; F117-L174 HydrophobicContact CG-CD2 4.19Å
118	H	89.8	Confident	90.4	Very high	32 Å²	32	46.4 Å²	46.4	15%	0.148	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-39.5	-179.2	68.3	-76.4	0	0	0	112.9	I112 F116 N122 I123 L128	I112-H118 HydrophobicContact CG2-CB 3.85Å; I112-H118 PolarHBondContact O-ND1 2.86Å; F116-H118 PolarHBondContact O-N 3.03Å; H118-N122 PolarHBondContact O-N 2.93Å; H118-I123 HydrophobicContact CB-CB 4.33Å; H118-I123 PolarHBondContact O-N 2.94Å; H118-L128 HydrophobicContact CB-CD2 4.07Å
119	K	87.5	Confident	90.4	Very high	131 Å²	131	46.5 Å²	46.5	57%	0.57	24%	0.238	S	C	*	.	H	α-helix	trans	-71.8	-45.1	178.3	-60.5	-173.1	-179.7	174.9	0	111.9	F116 F117 Q121 N122	F116-K119 HydrophobicContact CD1-CD 4.28Å; F116-K119 PolarHBondContact O-N 3.49Å; F117-K119 PolarHBondContact O-N 2.76Å; K119-Q121 PolarHBondContact O-N 2.99Å; K119-N122 PolarHBondContact O-N 2.84Å; K119-N122 PolarHBondContact O-OD1 2.81Å
120	S	84	Confident	90.3	Very high	60 Å²	60	46.6 Å²	46.6	42%	0.42	24%	0.238	S	C	.	.	H	α-helix	trans	-77.5	-19.1	-175	-61.8	0	0	0	0	114.4	F116 F117 W170	F116-S120 PolarHBondContact O-N 2.98Å; F116-S120 PolarHBondContact O-OG 3.14Å; F117-S120 PolarHBondContact O-N 2.89Å; S120-W170 WeakPolarHBondContact OG-CZ2 3.45Å
121	Q	86.8	Confident	90.3	Very high	45 Å²	45	45.8 Å²	45.8	21%	0.21	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	9.1	175.6	-60.5	-60.6	-96.1	0	0	112.6	F117 K119 I123 W170	F117-Q121 HydrophobicContact CD2-CG 3.78Å; F117-Q121 HydrophobicContact CE2-CB 4.4Å; F117-Q121 HydrophobicContact CE2-CG 3.68Å; F117-Q121 WeakPolarHBondContact O-CB 3.31Å; F117-Q121 PolarHBondContact O-N 3.13Å; K119-Q121 PolarHBondContact O-N 2.99Å; Q121-I123 HydrophobicContact CB-CD1 3.96Å; Q121-I123 HydrophobicContact CB-CG1 3.9Å; Q121-I123 PolarHBondContact O-N 3.4Å; Q121-W170 HydrophobicContact CG-CG 4.37Å
122	N	83.4	Confident	90.3	Very high	107 Å²	107	45.7 Å²	45.7	57%	0.572	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	42.3	-175.8	-60.9	-31.6	0	0	0	112.3	H118 K119 Y124	H118-N122 PolarHBondContact O-N 2.93Å; K119-N122 PolarHBondContact O-N 2.84Å; K119-N122 PolarHBondContact O-OD1 2.81Å; N122-Y124 HydrophobicContact CB-CE2 4.32Å; N122-Y124 VanDerWaalsContact O-CD2 3.25Å; N122-Y124 WeakPolarHBondContact O-CD2 3Å; N122-Y124 VanDerWaalsContact O-CE2 3.31Å; N122-Y124 WeakPolarHBondContact O-CE2 3.43Å; N122-Y124 PolarHBondContact O-N 3.32Å
123	I	83.4	Confident	90.4	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.067	23%	0.231	C	C	.	.			trans	-80.8	104	175.6	-60.8	168.6	0	0	0	106.6	F117 H118 Q121 L127 L128 A131 L163	F117-I123 HydrophobicContact CD1-CD1 3.6Å; F117-I123 HydrophobicContact CE1-CD1 3.08Å; F117-I123 HydrophobicContact CE2-CD1 4.09Å; F117-I123 HydrophobicContact CG-CD1 4.29Å; F117-I123 HydrophobicContact CZ-CD1 3.36Å; H118-I123 HydrophobicContact CB-CB 4.33Å; H118-I123 PolarHBondContact O-N 2.94Å; Q121-I123 HydrophobicContact CB-CD1 3.96Å; Q121-I123 HydrophobicContact CB-CG1 3.9Å; Q121-I123 PolarHBondContact O-N 3.4Å; I123-L127 HydrophobicContact CG2-CB 3.79Å; I123-L128 HydrophobicContact CG2-CD2 3.99Å; I123-L128 HydrophobicContact CG2-CG 4.39Å; I123-A131 HydrophobicContact CG2-CB 4.39Å; I123-L163 HydrophobicContact CD1-CD1 3.57Å; I123-L163 HydrophobicContact CG1-CD1 4.14Å
124	Y	83	Confident	90.5	Very high	152 Å²	152	44.2 Å²	44.2	60%	0.596	22%	0.22	S	C	*	.			trans	-75.5	171.6	177.8	-56.3	-73.1	0	0	0	111.4	N122 D126 L127 L128	N122-Y124 HydrophobicContact CB-CE2 4.32Å; N122-Y124 VanDerWaalsContact O-CD2 3.25Å; N122-Y124 WeakPolarHBondContact O-CD2 3Å; N122-Y124 VanDerWaalsContact O-CE2 3.31Å; N122-Y124 WeakPolarHBondContact O-CE2 3.43Å; N122-Y124 PolarHBondContact O-N 3.32Å; Y124-D126 VanDerWaalsContact CB-OD1 3.24Å; Y124-D126 WeakPolarHBondContact CB-OD1 3.26Å; Y124-D126 PolarHBondContact O-N 2.95Å; Y124-D126 VanDerWaalsContact O-N 3.15Å; Y124-L127 PolarHBondContact O-N 3.32Å; Y124-L127 VanDerWaalsContact O-N 3.14Å; Y124-L128 PolarHBondContact O-N 3Å
125	S	82.5	Confident	90.6	Very high	47 Å²	47	40.7 Å²	40.7	33%	0.329	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.2	-170.6	54.7	0	0	0	0	114.5	R72 E74	R72-S125 WeakPolarHBondContact O-CB 3.35Å; E74-S125 PolarHBondContact N-O 3.46Å; E74-S125 VanDerWaalsContact N-O 3.09Å
126	D	84.3	Confident	90.7	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.374	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-34.6	177.7	63.5	-31	0	0	0	112.9	E74 Y124 P129	E74-D126 WeakPolarHBondContact OE2-CB 3.5Å; Y124-D126 VanDerWaalsContact CB-OD1 3.24Å; Y124-D126 WeakPolarHBondContact CB-OD1 3.26Å; Y124-D126 PolarHBondContact O-N 2.95Å; Y124-D126 VanDerWaalsContact O-N 3.15Å; D126-P129 WeakPolarHBondContact O-CD 3.26Å
127	L	90.5	Very high	90.8	Very high	50 Å²	50	36.5 Å²	36.5	26%	0.262	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.6	178.8	-71.8	177.2	0	0	0	113.7	I123 Y124 P129 L130 A131	I123-L127 HydrophobicContact CG2-CB 3.79Å; Y124-L127 PolarHBondContact O-N 3.32Å; Y124-L127 VanDerWaalsContact O-N 3.14Å; L127-P129 VanDerWaalsContact C-CD 3.49Å; L127-L130 HydrophobicContact CD2-CD2 4.4Å; L127-L130 WeakPolarHBondContact O-CB 3.36Å; L127-L130 PolarHBondContact O-N 3.25Å; L127-L130 VanDerWaalsContact O-N 3.16Å; L127-A131 PolarHBondContact O-N 3.13Å
128	L	93.2	Very high	91	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-42.1	179.1	-76.2	177.8	0	0	0	114.3	L71 R72 Y73 H118 I123 Y124 L130 A131 M132	L71-L128 HydrophobicContact CB-CD1 4.12Å; L71-L128 HydrophobicContact CD1-CD2 4.3Å; R72-L128 WeakPolarHBondContact O-CD1 3.25Å; Y73-L128 HydrophobicContact CD1-CB 3.59Å; Y73-L128 HydrophobicContact CD1-CD1 4.18Å; Y73-L128 HydrophobicContact CE1-CB 3.55Å; Y73-L128 HydrophobicContact CE1-CD1 4.34Å; Y73-L128 HydrophobicContact CG-CD1 4.47Å; H118-L128 HydrophobicContact CB-CD2 4.07Å; I123-L128 HydrophobicContact CG2-CD2 3.99Å; I123-L128 HydrophobicContact CG2-CG 4.39Å; Y124-L128 PolarHBondContact O-N 3Å; L128-L130 VanDerWaalsContact C-N 3.27Å; L128-L130 PolarHBondContact O-N 3.06Å; L128-A131 WeakPolarHBondContact O-CB 3.31Å; L128-A131 PolarHBondContact O-N 3.08Å; L128-M132 VanDerWaalsContact O-CG 3.23Å; L128-M132 WeakPolarHBondContact O-CG 3.4Å; L128-M132 PolarHBondContact O-N 3.4Å
129	P	95	Very high	91.2	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.032	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-40.2	176.1	-24.2	36.2	0	0	0	112.3	A54 F57 Q58 Y73 D126 L127 M132 V133	A54-P129 HydrophobicContact CB-CB 4.13Å; A54-P129 WeakPolarHBondContact O-CB 3.36Å; F57-P129 HydrophobicContact CD1-CB 4.18Å; Q58-P129 HydrophobicContact CB-CB 3.96Å; Q58-P129 HydrophobicContact CB-CG 3.88Å; Q58-P129 HydrophobicContact CG-CG 4.34Å; Y73-P129 HydrophobicContact CD1-CG 4.04Å; D126-P129 WeakPolarHBondContact O-CD 3.26Å; L127-P129 VanDerWaalsContact C-CD 3.49Å; P129-M132 PolarHBondContact O-N 3.12Å; P129-V133 PolarHBondContact O-N 2.88Å
130	L	95.4	Very high	91.4	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-43.2	176	-174.8	61	0	0	0	110.9	F50 L51 A54 L127 L128 M132 V133 M134 E159 V160 L163	F50-L130 HydrophobicContact CB-CD1 3.88Å; L51-L130 HydrophobicContact CD2-CD1 4.28Å; L51-L130 HydrophobicContact CD2-CD2 4.16Å; A54-L130 HydrophobicContact CB-CB 3.98Å; A54-L130 HydrophobicContact CB-CD1 4.04Å; L127-L130 HydrophobicContact CD2-CD2 4.4Å; L127-L130 WeakPolarHBondContact O-CB 3.36Å; L127-L130 PolarHBondContact O-N 3.25Å; L127-L130 VanDerWaalsContact O-N 3.16Å; L128-L130 VanDerWaalsContact C-N 3.27Å; L128-L130 PolarHBondContact O-N 3.06Å; L130-M132 VanDerWaalsContact C-N 3.3Å; L130-M132 PolarHBondContact O-N 3.43Å; L130-V133 HydrophobicContact CD1-CG2 4.28Å; L130-V133 VanDerWaalsContact O-CG2 3.3Å; L130-V133 WeakPolarHBondContact O-CG2 3.4Å; L130-V133 PolarHBondContact O-N 3.21Å; L130-M134 HydrophobicContact CD1-CG 4.13Å; L130-M134 HydrophobicContact CD1-SD 3.89Å; L130-M134 HydrophobicContact CD2-SD 4.39Å; L130-M134 HydrophobicContact CG-CG 4.41Å; L130-M134 HydrophobicContact CG-SD 3.81Å; L130-M134 VanDerWaalsContact O-CB 3.31Å; L130-M134 WeakPolarHBondContact O-CB 3.4Å; L130-M134 VanDerWaalsContact O-CG 3.27Å; L130-M134 WeakPolarHBondContact O-CG 3.35Å; L130-M134 PolarHBondContact O-N 3.42Å; L130-E159 HydrophobicContact CD2-CB 4.37Å; L130-V160 HydrophobicContact CD1-CG2 4.28Å; L130-V160 HydrophobicContact CD2-CG2 4.16Å; L130-L163 HydrophobicContact CB-CD2 4.13Å; L130-L163 HydrophobicContact CD2-CD2 4.06Å; L130-L163 HydrophobicContact CG-CD2 3.77Å
131	A	95.9	Very high	91.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-39.7	174.7	0	0	0	0	0	112.3	I112 F117 I123 L127 L128 L135 L163	I112-A131 HydrophobicContact CD1-CB 4.49Å; F117-A131 HydrophobicContact CE1-CB 4.46Å; I123-A131 HydrophobicContact CG2-CB 4.39Å; L127-A131 PolarHBondContact O-N 3.13Å; L128-A131 WeakPolarHBondContact O-CB 3.31Å; L128-A131 PolarHBondContact O-N 3.08Å; A131-L135 WeakPolarHBondContact O-CB 3.47Å; A131-L135 PolarHBondContact O-N 3.4Å; A131-L163 HydrophobicContact CB-CD1 4.41Å; A131-L163 HydrophobicContact CB-CD2 3.94Å
132	M	97.1	Very high	92	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-51.4	178.9	-71.3	-68.2	-73.5	0	0	112.1	F57 L71 Y73 T101 Q105 L108 E109 I112 L128 P129 L130 L135 Y136	F57-M132 HydrophobicContact CD1-CB 4.22Å; F57-M132 HydrophobicContact CE1-CB 3.78Å; F57-M132 HydrophobicContact CE1-CE 4.37Å; F57-M132 HydrophobicContact CE1-CG 3.82Å; F57-M132 HydrophobicContact CZ-CB 4.08Å; F57-M132 HydrophobicContact CZ-CE 3.75Å; F57-M132 HydrophobicContact CZ-CG 4.13Å; L71-M132 HydrophobicContact CD1-SD 4.43Å; Y73-M132 HydrophobicContact CE1-CG 4.15Å; Y73-M132 WeakPolarHBondContact OH-CG 3.37Å; Y73-M132 PolarHBondContact OH-SD 3.46Å; T101-M132 HydrophobicContact CG2-CB 4.07Å; Q105-M132 HydrophobicContact CG-CE 4.29Å; L108-M132 HydrophobicContact CB-CE 3.51Å; L108-M132 HydrophobicContact CB-SD 3.92Å; L108-M132 HydrophobicContact CD1-CE 4.31Å; E109-M132 HydrophobicContact CG-CE 3.76Å; E109-M132 HydrophobicContact CG-SD 4.25Å; I112-M132 HydrophobicContact CD1-CG 4.43Å; I112-M132 HydrophobicContact CD1-SD 3.61Å; L128-M132 VanDerWaalsContact O-CG 3.23Å; L128-M132 WeakPolarHBondContact O-CG 3.4Å; L128-M132 PolarHBondContact O-N 3.4Å; P129-M132 PolarHBondContact O-N 3.12Å; L130-M132 VanDerWaalsContact C-N 3.3Å; L130-M132 PolarHBondContact O-N 3.43Å; M132-L135 PolarHBondContact O-N 2.78Å; M132-Y136 PolarHBondContact O-N 3.22Å
133	V	97.2	Very high	92.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-36.9	-178.7	-60.9	0	0	0	0	111.9	F50 A53 A54 F57 L97 T101 P129 L130 D137	F50-V133 HydrophobicContact CD1-CG2 4Å; A53-V133 HydrophobicContact CB-CB 4.38Å; A53-V133 HydrophobicContact CB-CG1 4.17Å; A53-V133 HydrophobicContact CB-CG2 4.45Å; A54-V133 HydrophobicContact CB-CG2 4.04Å; F57-V133 HydrophobicContact CB-CG1 3.89Å; F57-V133 HydrophobicContact CG-CG1 4.26Å; L97-V133 HydrophobicContact CD2-CB 4.34Å; L97-V133 HydrophobicContact CG-CB 4.31Å; T101-V133 HydrophobicContact CG2-CG1 4.06Å; P129-V133 PolarHBondContact O-N 2.88Å; L130-V133 HydrophobicContact CD1-CG2 4.28Å; L130-V133 VanDerWaalsContact O-CG2 3.3Å; L130-V133 WeakPolarHBondContact O-CG2 3.4Å; L130-V133 PolarHBondContact O-N 3.21Å; V133-D137 PolarHBondContact O-N 2.95Å; V133-D137 VanDerWaalsContact O-N 3.13Å
134	M	96.6	Very high	92.7	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-37.2	176	-70.2	-177.5	69.6	0	0	112.2	F50 L130 D137 F138 V160 L163 E164 L167	F50-M134 HydrophobicContact CB-CG 4.45Å; F50-M134 HydrophobicContact CD1-CG 3.68Å; F50-M134 HydrophobicContact CD2-CG 4Å; F50-M134 HydrophobicContact CE1-CB 4.34Å; F50-M134 HydrophobicContact CE1-CG 3.79Å; F50-M134 HydrophobicContact CE2-CE 4.42Å; F50-M134 HydrophobicContact CE2-CG 3.99Å; F50-M134 HydrophobicContact CG-CG 3.84Å; F50-M134 HydrophobicContact CZ-CB 4.46Å; F50-M134 HydrophobicContact CZ-CG 3.96Å; L130-M134 HydrophobicContact CD1-CG 4.13Å; L130-M134 HydrophobicContact CD1-SD 3.89Å; L130-M134 HydrophobicContact CD2-SD 4.39Å; L130-M134 HydrophobicContact CG-CG 4.41Å; L130-M134 HydrophobicContact CG-SD 3.81Å; L130-M134 VanDerWaalsContact O-CB 3.31Å; L130-M134 WeakPolarHBondContact O-CB 3.4Å; L130-M134 VanDerWaalsContact O-CG 3.27Å; L130-M134 WeakPolarHBondContact O-CG 3.35Å; L130-M134 PolarHBondContact O-N 3.42Å; M134-D137 PolarHBondContact O-N 3.27Å; M134-F138 WeakPolarHBondContact O-CB 3.23Å; M134-F138 PolarHBondContact O-N 3.02Å; M134-V160 HydrophobicContact CE-CG1 3.92Å; M134-V160 WeakPolarHBondContact CE-O 3.44Å; M134-V160 HydrophobicContact SD-CG1 4.07Å; M134-L163 HydrophobicContact CE-CB 4.37Å; M134-L163 HydrophobicContact SD-CB 4.11Å; M134-L163 HydrophobicContact SD-CD2 3.76Å; M134-L163 HydrophobicContact SD-CG 4.11Å; M134-E164 HydrophobicContact CE-CB 3.72Å; M134-L167 HydrophobicContact CB-CD1 3.7Å; M134-L167 HydrophobicContact CE-CD1 4.22Å
135	L	97.1	Very high	92.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-41.2	174.9	179.6	62.2	0	0	0	111.1	L108 V111 I112 A131 M132 F138 Q139 L167 L174	L108-L135 HydrophobicContact CD2-CB 4.49Å; L108-L135 HydrophobicContact CD2-CD2 3.97Å; L108-L135 HydrophobicContact CD2-CG 3.89Å; V111-L135 HydrophobicContact CB-CD2 4.47Å; V111-L135 HydrophobicContact CG1-CD2 4.07Å; I112-L135 HydrophobicContact CD1-CD2 3.88Å; I112-L135 HydrophobicContact CG1-CD2 3.48Å; I112-L135 VanDerWaalsContact CG1-CD2 3.48Å; A131-L135 WeakPolarHBondContact O-CB 3.47Å; A131-L135 PolarHBondContact O-N 3.4Å; M132-L135 PolarHBondContact O-N 2.78Å; L135-F138 PolarHBondContact O-N 3.41Å; L135-Q139 WeakPolarHBondContact O-CG 3.29Å; L135-Q139 PolarHBondContact O-N 2.94Å; L135-L167 HydrophobicContact CB-CD2 4.45Å; L135-L167 HydrophobicContact CD1-CD2 4.18Å; L135-L174 HydrophobicContact CD1-CD1 4.27Å; L135-L174 HydrophobicContact CD1-CD2 4.18Å
136	Y	97.3	Very high	92.9	Very high	22 Å²	22	38.9 Å²	38.9	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-55.3	-53.3	172.9	172.5	-92.2	0	0	0	111.1	L97 N100 Y104 L108 M132 F138 Q139 D140	L97-Y136 HydrophobicContact CD1-CD1 3.67Å; L97-Y136 HydrophobicContact CD1-CE1 4.14Å; N100-Y136 HydrophobicContact CB-CD1 4.32Å; N100-Y136 HydrophobicContact CB-CE1 3.56Å; N100-Y136 HydrophobicContact CB-CE2 4.07Å; N100-Y136 VanDerWaalsContact CB-CZ 3.44Å; N100-Y136 WeakPolarHBondContact CB-OH 3.28Å; Y104-Y136 HydrophobicContact CD2-CD2 4Å; Y104-Y136 AromaticContact CD2-CE2 3.56Å; Y104-Y136 HydrophobicContact CD2-CE2 3.56Å; Y104-Y136 AromaticContact CE2-CE2 3.88Å; Y104-Y136 HydrophobicContact CE2-CE2 3.88Å; Y104-Y136 HydrophobicContact CG-CE2 4.48Å; L108-Y136 HydrophobicContact CD1-CD2 4.35Å; M132-Y136 PolarHBondContact O-N 3.22Å; Y136-F138 VanDerWaalsContact C-N 3.35Å; Y136-F138 PolarHBondContact O-N 2.67Å; Y136-Q139 WeakPolarHBondContact O-CG 3.1Å; Y136-Q139 PolarHBondContact O-N 3.01Å; Y136-D140 WeakPolarHBondContact O-CB 3.38Å; Y136-D140 PolarHBondContact O-N 3.3Å; Y136-D140 VanDerWaalsContact O-N 3.08Å
137	D	95.6	Very high	92.5	Very high	14 Å²	14	46.3 Å²	46.3	8%	0.075	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-41.6	178.6	170.5	78.2	0	0	0	112	F50 L97 V133 M134 Q139 D140 R141	F50-D137 HydrophobicContact CE1-CB 3.81Å; F50-D137 HydrophobicContact CZ-CB 3.77Å; F50-D137 WeakPolarHBondContact CZ-OD2 3.49Å; L97-D137 HydrophobicContact CD1-CB 4.29Å; V133-D137 PolarHBondContact O-N 2.95Å; V133-D137 VanDerWaalsContact O-N 3.13Å; M134-D137 PolarHBondContact O-N 3.27Å; D137-Q139 PolarHBondContact O-N 3.2Å; D137-D140 PolarHBondContact O-N 3.38Å; D137-R141 VanDerWaalsContact CG-NE 3.27Å; D137-R141 WeakPolarHBondContact O-CG 3.2Å; D137-R141 PolarHBondContact O-N 2.96Å; D137-R141 VanDerWaalsContact O-N 3.08Å; D137-R141 PolarHBondContact O-NE 3.18Å; D137-R141 IonicContact OD1-NE 2.65Å; D137-R141 PolarHBondContact OD1-NE 3.13Å; D137-R141 IonicContact OD2-CZ 3.52Å; D137-R141 IonicContact OD2-NE 3.27Å; D137-R141 PolarHBondContact OD2-NE 3.36Å; D137-R141 IonicContact OD2-NH2 3.63Å; D137-R141 PolarHBondContact OD2-NH2 3.23Å
138	F	94.9	Very high	91.3	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-42.4	180	-170.8	-141.5	0	0	0	112.3	M134 L135 Y136 R141 R142 F143 L144 L167 K171	M134-F138 WeakPolarHBondContact O-CB 3.23Å; M134-F138 PolarHBondContact O-N 3.02Å; L135-F138 PolarHBondContact O-N 3.41Å; Y136-F138 VanDerWaalsContact C-N 3.35Å; Y136-F138 PolarHBondContact O-N 2.67Å; F138-R141 CarbonylContact O-C 3.57Å; F138-R142 PolarHBondContact O-N 3.11Å; F138-F143 AromaticContact CD1-CD1 3.65Å; F138-F143 HydrophobicContact CD1-CD1 3.65Å; F138-F143 HydrophobicContact CD1-CE1 4.28Å; F138-F143 HydrophobicContact CE1-CB 4.22Å; F138-F143 AromaticContact CE1-CD1 3.59Å; F138-F143 HydrophobicContact CE1-CD1 3.59Å; F138-F143 HydrophobicContact CE1-CE1 4.48Å; F138-F143 HydrophobicContact CE1-CG 4.38Å; F138-F143 VanDerWaalsContact CE2-CA 3.47Å; F138-F143 HydrophobicContact CE2-CB 4.16Å; F138-F143 WeakPolarHBondContact CE2-O 3.41Å; F138-F143 HydrophobicContact CG-CD1 4.31Å; F138-F143 HydrophobicContact CZ-CB 3.96Å; F138-F143 HydrophobicContact CZ-CD1 4.2Å; F138-F143 VanDerWaalsContact O-CA 3.29Å; F138-F143 WeakPolarHBondContact O-CA 3.39Å; F138-F143 PolarHBondContact O-N 3.27Å; F138-L144 WeakPolarHBondContact CD2-O 3.31Å; F138-L144 WeakPolarHBondContact CE2-O 3.17Å; F138-L167 HydrophobicContact CD1-CB 4.06Å; F138-L167 HydrophobicContact CE1-CB 4.05Å; F138-K171 HydrophobicContact CE1-CB 4.38Å; F138-K171 HydrophobicContact CZ-CB 4.28Å; F138-K171 HydrophobicContact CZ-CD 4.44Å; F138-K171 HydrophobicContact CZ-CG 4.48Å
139	Q	94.6	Very high	89.7	Confident	19 Å²	19	52.9 Å²	52.9	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-70.1	-36.5	176.8	68.6	138.8	-16.9	0	0	112.8	L108 L135 Y136 D137 R141 R142 F143 L178	L108-Q139 HydrophobicContact CD2-CG 4.49Å; L135-Q139 WeakPolarHBondContact O-CG 3.29Å; L135-Q139 PolarHBondContact O-N 2.94Å; Y136-Q139 WeakPolarHBondContact O-CG 3.1Å; Y136-Q139 PolarHBondContact O-N 3.01Å; D137-Q139 PolarHBondContact O-N 3.2Å; Q139-R141 PolarHBondContact O-N 3.29Å; Q139-R142 WeakPolarHBondContact O-CA 3.35Å; Q139-R142 PolarHBondContact O-N 2.89Å; Q139-F143 HydrophobicContact CB-CE2 4.22Å; Q139-F143 HydrophobicContact CB-CZ 4.02Å; Q139-L178 HydrophobicContact CB-CD2 4.47Å
140	D	91.7	Very high	87.7	Confident	108 Å²	108	56.3 Å²	56.3	58%	0.578	26%	0.263	S	S	*	.	H	α-helix	trans	-65.3	-34.8	179.6	-168.4	55.7	0	0	0	110.4	Y136 D137 R142	Y136-D140 WeakPolarHBondContact O-CB 3.38Å; Y136-D140 PolarHBondContact O-N 3.3Å; Y136-D140 VanDerWaalsContact O-N 3.08Å; D137-D140 PolarHBondContact O-N 3.38Å; D140-R142 PolarHBondContact O-N 3.25Å
141	R	91.6	Very high	85.5	Confident	53 Å²	53	65.8 Å²	65.8	20%	0.2	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	18.9	171.2	-61.8	-177.5	-61.9	91.6	9.9	113.8	D137 F138 Q139 F143 L144 L145	D137-R141 VanDerWaalsContact CG-NE 3.27Å; D137-R141 WeakPolarHBondContact O-CG 3.2Å; D137-R141 PolarHBondContact O-N 2.96Å; D137-R141 VanDerWaalsContact O-N 3.08Å; D137-R141 PolarHBondContact O-NE 3.18Å; D137-R141 IonicContact OD1-NE 2.65Å; D137-R141 PolarHBondContact OD1-NE 3.13Å; D137-R141 IonicContact OD2-CZ 3.52Å; D137-R141 IonicContact OD2-NE 3.27Å; D137-R141 PolarHBondContact OD2-NE 3.36Å; D137-R141 IonicContact OD2-NH2 3.63Å; D137-R141 PolarHBondContact OD2-NH2 3.23Å; F138-R141 CarbonylContact O-C 3.57Å; Q139-R141 PolarHBondContact O-N 3.29Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.6Å; R141-L144 PolarHBondContact NH1-O 3.07Å; R141-L144 WeakPolarHBondContact O-CB 3.3Å; R141-L144 WeakPolarHBondContact O-CG 3.44Å; R141-L144 PolarHBondContact O-N 3.39Å; R141-L145 VanDerWaalsContact NH1-C 3.25Å; R141-L145 PolarHBondContact NH1-O 2.91Å
142	R	91	Very high	83.5	Confident	215 Å²	215	69.7 Å²	69.7	81%	0.811	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	39.4	177.7	-54.9	-178	178.1	-172.2	-0.2	113.6	F138 Q139 D140 L144	F138-R142 PolarHBondContact O-N 3.11Å; Q139-R142 WeakPolarHBondContact O-CA 3.35Å; Q139-R142 PolarHBondContact O-N 2.89Å; D140-R142 PolarHBondContact O-N 3.25Å; R142-L144 VanDerWaalsContact C-N 3.26Å; R142-L144 PolarHBondContact O-N 3.11Å
143	F	92.6	Very high	81.5	Confident	20 Å²	20	76.3 Å²	76.3	9%	0.088	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	35.6	-178.8	-57	-93	0	0	0	113.6	F138 Q139 R141 K171 L174 A175 L178	F138-F143 AromaticContact CD1-CD1 3.65Å; F138-F143 HydrophobicContact CD1-CD1 3.65Å; F138-F143 HydrophobicContact CD1-CE1 4.28Å; F138-F143 HydrophobicContact CE1-CB 4.22Å; F138-F143 AromaticContact CE1-CD1 3.59Å; F138-F143 HydrophobicContact CE1-CD1 3.59Å; F138-F143 HydrophobicContact CE1-CE1 4.48Å; F138-F143 HydrophobicContact CE1-CG 4.38Å; F138-F143 VanDerWaalsContact CE2-CA 3.47Å; F138-F143 HydrophobicContact CE2-CB 4.16Å; F138-F143 WeakPolarHBondContact CE2-O 3.41Å; F138-F143 HydrophobicContact CG-CD1 4.31Å; F138-F143 HydrophobicContact CZ-CB 3.96Å; F138-F143 HydrophobicContact CZ-CD1 4.2Å; F138-F143 VanDerWaalsContact O-CA 3.29Å; F138-F143 WeakPolarHBondContact O-CA 3.39Å; F138-F143 PolarHBondContact O-N 3.27Å; Q139-F143 HydrophobicContact CB-CE2 4.22Å; Q139-F143 HydrophobicContact CB-CZ 4.02Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.6Å; F143-K171 HydrophobicContact CB-CD 3.97Å; F143-K171 HydrophobicContact CB-CG 3.93Å; F143-K171 HydrophobicContact CD1-CG 4.48Å; F143-K171 HydrophobicContact CG-CG 4.48Å; F143-K171 WeakPolarHBondContact O-CD 3.46Å; F143-K171 VanDerWaalsContact O-CE 3.26Å; F143-K171 WeakPolarHBondContact O-CE 3.38Å; F143-K171 PolarHBondContact O-NZ 3.09Å; F143-L174 HydrophobicContact CE1-CB 3.94Å; F143-A175 HydrophobicContact CD2-CB 4.18Å; F143-A175 HydrophobicContact CE1-CB 4.37Å; F143-A175 HydrophobicContact CE2-CB 3.97Å; F143-A175 HydrophobicContact CG-CB 4.48Å; F143-A175 HydrophobicContact CZ-CB 4.07Å; F143-L178 HydrophobicContact CE2-CD2 3.96Å; F143-L178 HydrophobicContact CZ-CD2 3.95Å
144	L	89.1	Confident	79.7	Confident	107 Å²	107	81.9 Å²	81.9	56%	0.56	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-93.3	155.9	168.3	-62.8	175	0	0	0	109.5	F138 R141 R142	F138-L144 WeakPolarHBondContact CD2-O 3.31Å; F138-L144 WeakPolarHBondContact CE2-O 3.17Å; R141-L144 PolarHBondContact NH1-O 3.07Å; R141-L144 WeakPolarHBondContact O-CB 3.3Å; R141-L144 WeakPolarHBondContact O-CG 3.44Å; R141-L144 PolarHBondContact O-N 3.39Å; R142-L144 VanDerWaalsContact C-N 3.26Å; R142-L144 PolarHBondContact O-N 3.11Å
145	L	86.2	Confident	78.3	Confident	88 Å²	88	87 Å²	87	46%	0.461	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-76.6	152.8	172.3	-79.1	170.4	0	0	0	110.8	R141 E164 Q168	R141-L145 VanDerWaalsContact NH1-C 3.25Å; R141-L145 PolarHBondContact NH1-O 2.91Å; L145-E164 HydrophobicContact CD2-CG 3.73Å; L145-Q168 HydrophobicContact CD1-CG 4.05Å; L145-Q168 HydrophobicContact CD2-CB 4.14Å; L145-Q168 HydrophobicContact CD2-CG 4.38Å; L145-Q168 HydrophobicContact CG-CG 4.3Å
146	R	84.8	Confident	77.3	Confident	20 Å²	20	91.4 Å²	91.4	8%	0.075	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-68.9	136.8	174.3	-63.9	176.7	-56.1	151.8	-1.6	108.6	P44 P45 D47 F50 R148 E164	P44-R146 HydrophobicContact CB-CB 3.65Å; P44-R146 HydrophobicContact CB-CG 3.62Å; P44-R146 HydrophobicContact CG-CB 4.07Å; P45-R146 PolarHBondContact O-NH1 3.37Å; D47-R146 IonicContact OD1-CZ 3.25Å; D47-R146 IonicContact OD1-NH1 3.41Å; D47-R146 IonicContact OD1-NH2 3.68Å; D47-R146 PolarHBondContact OD1-NH2 3.04Å; D47-R146 VanDerWaalsContact OD1-NH2 3.13Å; F50-R146 VanDerWaalsContact CD2-NH1 3.32Å; R146-R148 PolarHBondContact O-N 3Å; R146-E164 IonicContact CZ-OE1 3.73Å; R146-E164 VanDerWaalsContact CZ-OE1 3.27Å; R146-E164 IonicContact NE-OE1 2.64Å; R146-E164 PolarHBondContact NE-OE1 3.43Å; R146-E164 IonicContact NH2-OE1 2.83Å; R146-E164 PolarHBondContact NH2-OE1 2.83Å; R146-E164 IonicContact NH2-OE2 3.56Å
147	R	74.4	Confident	76.6	Confident	227 Å²	227	91.3 Å²	91.3	86%	0.857	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-73.2	118	167.9	-175	178.9	-89.8	175.3	-7.6	107.4	P44	P44-R147 VanDerWaalsContact CG-O 3.28Å; P44-R147 WeakPolarHBondContact CG-O 3.35Å
148	R	65.9	Low	76.2	Confident	124 Å²	124	93.7 Å²	93.7	47%	0.468	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-83.9	148.6	179.7	-64.6	-174.9	-171.2	166.4	3.7	110.3	R146 R161 E164	R146-R148 PolarHBondContact O-N 3Å; R148-R161 VanDerWaalsContact CZ-CD 3.44Å; R148-E164 IonicContact CZ-OE2 2.96Å; R148-E164 IonicContact NE-OE2 2.97Å; R148-E164 IonicContact NH2-OE2 3.49Å; R148-E164 PolarHBondContact NH2-OE2 2.97Å
149	P	59.8	Low	75.9	Confident	68 Å²	68	98.6 Å²	98.6	44%	0.442	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-58.5	159.6	161.3	-17.2	31.8	0	0	0	110.2	E153	P149-E153 HydrophobicContact CB-CB 4.32Å; P149-E153 WeakPolarHBondContact CB-OE2 3.47Å
150	A	53.7	Low	75.7	Confident	77 Å²	77	97.7 Å²	97.7	64%	0.636	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-58.4	153.4	175.6	0	0	0	0	0	110.6	G152	A150-G152 PolarHBondContact O-N 3.29Å
151	E	48.8	Very low	75.6	Confident	206 Å²	206	94 Å²	94	96%	0.963	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	124.3	-179.9	-69.5	-178.6	160.6	0	0	110.6
152	G	53.7	Low	75.5	Confident	83 Å²	83	95.3 Å²	95.3	86%	0.856	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	124	-16.3	175.3	0	0	0	0	0	116.7	A150	A150-G152 PolarHBondContact O-N 3.29Å
153	E	54.2	Low	75.6	Confident	139 Å²	139	85.6 Å²	85.6	65%	0.65	46%	0.458	S	S	*	.	S	Bend	trans	-92.3	-12.2	-170.7	-67.6	-176.3	163.6	0	0	115.6	P149	P149-E153 HydrophobicContact CB-CB 4.32Å; P149-E153 WeakPolarHBondContact CB-OE2 3.47Å
154	H	59.9	Low	75.6	Confident	117 Å²	117	85.1 Å²	85.1	54%	0.542	46%	0.456	S	S	.	.	S	Bend	trans	-147.5	151	-177.3	-71.7	-79.9	0	0	0	114.3	V156	H154-V156 PolarHBondContact O-N 3.31Å
155	V	67.4	Low	75.7	Confident	111 Å²	111	85.9 Å²	85.9	67%	0.673	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-58.1	118.8	170.8	-177.8	0	0	0	0	109.4	V157	V155-V157 HydrophobicContact CG1-CG2 4.46Å
156	V	76.3	Confident	76.1	Confident	95 Å²	95	82.9 Å²	82.9	58%	0.576	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-86.4	118.9	175.5	179	0	0	0	0	108.5	H154 R161	H154-V156 PolarHBondContact O-N 3.31Å; V156-R161 HydrophobicContact CG1-CG 3.71Å
157	V	83.2	Confident	76.6	Confident	20 Å²	20	82.2 Å²	82.2	12%	0.121	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-100.6	117.9	176.6	-178	0	0	0	0	108.9	D47 L51 V155 E159 V160 R161	D47-V157 HydrophobicContact CB-CB 4.16Å; D47-V157 HydrophobicContact CB-CG2 3.99Å; D47-V157 PolarHBondContact OD2-N 3.31Å; L51-V157 HydrophobicContact CD1-CB 4.42Å; L51-V157 HydrophobicContact CD1-CG1 3.86Å; L51-V157 HydrophobicContact CD1-CG2 3.88Å; L51-V157 HydrophobicContact CD2-CG1 4.32Å; L51-V157 HydrophobicContact CG-CG1 4.36Å; V155-V157 HydrophobicContact CG1-CG2 4.46Å; V157-E159 VanDerWaalsContact C-N 3.33Å; V157-E159 HydrophobicContact CG1-CB 4.23Å; V157-E159 PolarHBondContact O-N 3.45Å; V157-V160 HydrophobicContact CB-CB 4.22Å; V157-V160 HydrophobicContact CB-CG2 3.92Å; V157-V160 HydrophobicContact CG1-CG2 3.96Å; V157-V160 PolarHBondContact O-N 2.97Å; V157-R161 VanDerWaalsContact O-CG 3.31Å; V157-R161 WeakPolarHBondContact O-CG 3.46Å; V157-R161 PolarHBondContact O-N 3.21Å
158	A	86.6	Confident	77.5	Confident	65 Å²	65	74.8 Å²	74.8	54%	0.537	41%	0.414	S	S	.	.	H	α-helix	trans	-55.6	-45.2	-176.7	0	0	0	0	0	112.5	V160 R161 D162	A158-V160 PolarHBondContact O-N 3.43Å; A158-R161 WeakPolarHBondContact O-CB 3.33Å; A158-R161 PolarHBondContact O-N 2.92Å; A158-D162 PolarHBondContact O-N 2.63Å
159	E	88.9	Confident	78.8	Confident	109 Å²	109	78.4 Å²	78.4	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-57.5	-46.9	179.4	-62.5	161.3	173	0	0	112.3	L130 V157 R161 D162 L163	L130-E159 HydrophobicContact CD2-CB 4.37Å; V157-E159 VanDerWaalsContact C-N 3.33Å; V157-E159 HydrophobicContact CG1-CB 4.23Å; V157-E159 PolarHBondContact O-N 3.45Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 2.88Å; E159-D162 PolarHBondContact O-N 3.38Å; E159-L163 VanDerWaalsContact O-CB 3.31Å; E159-L163 WeakPolarHBondContact O-CB 3.41Å; E159-L163 PolarHBondContact O-N 3.19Å
160	V	90.8	Very high	80.5	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-40.7	176.8	179.4	0	0	0	0	110.3	D47 F50 L51 L130 M134 V157 A158 E164	D47-V160 HydrophobicContact CB-CB 4.15Å; D47-V160 HydrophobicContact CB-CG1 4.02Å; D47-V160 HydrophobicContact CB-CG2 4.16Å; D47-V160 WeakPolarHBondContact OD1-CG1 3.45Å; F50-V160 HydrophobicContact CB-CG2 4.45Å; F50-V160 HydrophobicContact CD2-CG1 3.97Å; L51-V160 HydrophobicContact CD2-CG2 3.97Å; L51-V160 HydrophobicContact CG-CG2 4.13Å; L130-V160 HydrophobicContact CD1-CG2 4.28Å; L130-V160 HydrophobicContact CD2-CG2 4.16Å; M134-V160 HydrophobicContact CE-CG1 3.92Å; M134-V160 WeakPolarHBondContact CE-O 3.44Å; M134-V160 HydrophobicContact SD-CG1 4.07Å; V157-V160 HydrophobicContact CB-CB 4.22Å; V157-V160 HydrophobicContact CB-CG2 3.92Å; V157-V160 HydrophobicContact CG1-CG2 3.96Å; V157-V160 PolarHBondContact O-N 2.97Å; A158-V160 PolarHBondContact O-N 3.43Å; V160-E164 VanDerWaalsContact O-CB 3.28Å; V160-E164 WeakPolarHBondContact O-CB 3.43Å; V160-E164 PolarHBondContact O-N 3.28Å
161	R	88.4	Confident	82.5	Confident	31 Å²	31	75.9 Å²	75.9	12%	0.117	40%	0.395	C	S	.	.	H	α-helix	trans	-66.4	-44.1	-180	-67.9	-70.3	-178.4	-112.4	-6.6	112.1	D47 R148 V156 V157 A158 E159 E164 K165	D47-R161 VanDerWaalsContact CG-NH1 3.31Å; D47-R161 IonicContact OD1-CZ 3.25Å; D47-R161 IonicContact OD1-NH1 2.88Å; D47-R161 PolarHBondContact OD1-NH1 2.88Å; D47-R161 IonicContact OD1-NH2 3.27Å; D47-R161 IonicContact OD2-CZ 3.59Å; D47-R161 IonicContact OD2-NE 2.79Å; D47-R161 PolarHBondContact OD2-NE 3.28Å; D47-R161 IonicContact OD2-NH1 3.14Å; D47-R161 PolarHBondContact OD2-NH1 3.35Å; D47-R161 IonicContact OD2-NH2 3.6Å; D47-R161 PolarHBondContact OD2-NH2 3.22Å; R148-R161 VanDerWaalsContact CZ-CD 3.44Å; V156-R161 HydrophobicContact CG1-CG 3.71Å; V157-R161 VanDerWaalsContact O-CG 3.31Å; V157-R161 WeakPolarHBondContact O-CG 3.46Å; V157-R161 PolarHBondContact O-N 3.21Å; A158-R161 WeakPolarHBondContact O-CB 3.33Å; A158-R161 PolarHBondContact O-N 2.92Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 2.88Å; R161-E164 IonicContact NH1-OE2 2.87Å; R161-E164 PolarHBondContact O-N 3.23Å; R161-K165 WeakPolarHBondContact O-CG 3.28Å; R161-K165 PolarHBondContact O-N 2.95Å
162	D	90.8	Very high	84.8	Confident	80 Å²	80	72.8 Å²	72.8	43%	0.428	38%	0.383	S	S	.	.	H	α-helix	trans	-72.7	-35.7	-177.6	-68	-23.8	0	0	0	111.5	A158 E159 K165 S166	A158-D162 PolarHBondContact O-N 2.63Å; E159-D162 PolarHBondContact O-N 3.38Å; D162-K165 PolarHBondContact O-N 3.18Å; D162-K165 IonicContact OD1-NZ 3.94Å; D162-K165 PolarHBondContact OD1-NZ 2.94Å; D162-S166 WeakPolarHBondContact O-CB 3.22Å; D162-S166 PolarHBondContact O-N 2.94Å; D162-S166 PolarHBondContact O-OG 2.75Å
163	L	93	Very high	86.8	Confident	10 Å²	10	74.5 Å²	74.5	5%	0.052	37%	0.367	C	S	.	.	H	α-helix	trans	-69	-37.5	172.9	-166.6	57.8	0	0	0	112.3	F117 I123 L130 A131 M134 E159 S166 L167	F117-L163 HydrophobicContact CE1-CD1 4.32Å; F117-L163 HydrophobicContact CZ-CD1 4.04Å; I123-L163 HydrophobicContact CD1-CD1 3.57Å; I123-L163 HydrophobicContact CG1-CD1 4.14Å; L130-L163 HydrophobicContact CB-CD2 4.13Å; L130-L163 HydrophobicContact CD2-CD2 4.06Å; L130-L163 HydrophobicContact CG-CD2 3.77Å; A131-L163 HydrophobicContact CB-CD1 4.41Å; A131-L163 HydrophobicContact CB-CD2 3.94Å; M134-L163 HydrophobicContact CE-CB 4.37Å; M134-L163 HydrophobicContact SD-CB 4.11Å; M134-L163 HydrophobicContact SD-CD2 3.76Å; M134-L163 HydrophobicContact SD-CG 4.11Å; E159-L163 VanDerWaalsContact O-CB 3.31Å; E159-L163 WeakPolarHBondContact O-CB 3.41Å; E159-L163 PolarHBondContact O-N 3.19Å; L163-S166 WeakPolarHBondContact O-CB 3.27Å; L163-S166 PolarHBondContact O-N 2.99Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 WeakPolarHBondContact O-CG 3.29Å; L163-L167 PolarHBondContact O-N 2.86Å
164	E	92.6	Very high	88.9	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-44	174.1	-173.5	170.1	-116.4	0	0	111.7	M134 L145 R146 R148 V160 R161 S166 L167 Q168	M134-E164 HydrophobicContact CE-CB 3.72Å; L145-E164 HydrophobicContact CD2-CG 3.73Å; R146-E164 IonicContact CZ-OE1 3.73Å; R146-E164 VanDerWaalsContact CZ-OE1 3.27Å; R146-E164 IonicContact NE-OE1 2.64Å; R146-E164 PolarHBondContact NE-OE1 3.43Å; R146-E164 IonicContact NH2-OE1 2.83Å; R146-E164 PolarHBondContact NH2-OE1 2.83Å; R146-E164 IonicContact NH2-OE2 3.56Å; R148-E164 IonicContact CZ-OE2 2.96Å; R148-E164 IonicContact NE-OE2 2.97Å; R148-E164 IonicContact NH2-OE2 3.49Å; R148-E164 PolarHBondContact NH2-OE2 2.97Å; V160-E164 VanDerWaalsContact O-CB 3.28Å; V160-E164 WeakPolarHBondContact O-CB 3.43Å; V160-E164 PolarHBondContact O-N 3.28Å; R161-E164 IonicContact NH1-OE2 2.87Å; R161-E164 PolarHBondContact O-N 3.23Å; E164-S166 VanDerWaalsContact C-N 3.31Å; E164-S166 PolarHBondContact O-N 3.12Å; E164-L167 PolarHBondContact O-N 3.28Å; E164-Q168 WeakPolarHBondContact O-CB 3.29Å; E164-Q168 PolarHBondContact O-N 3.36Å
165	K	91.6	Very high	90.6	Very high	123 Å²	123	63.9 Å²	63.9	54%	0.535	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-42.3	173.2	-68.4	169.3	-163.1	158.1	0	111.3	R161 D162 Q168 R169	R161-K165 WeakPolarHBondContact O-CG 3.28Å; R161-K165 PolarHBondContact O-N 2.95Å; D162-K165 PolarHBondContact O-N 3.18Å; D162-K165 IonicContact OD1-NZ 3.94Å; D162-K165 PolarHBondContact OD1-NZ 2.94Å; K165-Q168 PolarHBondContact O-N 3.43Å; K165-R169 WeakPolarHBondContact O-CB 3.38Å; K165-R169 PolarHBondContact O-N 2.99Å
166	S	93.7	Very high	92.1	Very high	26 Å²	26	60.3 Å²	60.3	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-46.4	179.5	-59.4	0	0	0	0	111.5	D162 L163 E164 Q168 R169 W170	D162-S166 WeakPolarHBondContact O-CB 3.22Å; D162-S166 PolarHBondContact O-N 2.94Å; D162-S166 PolarHBondContact O-OG 2.75Å; L163-S166 WeakPolarHBondContact O-CB 3.27Å; L163-S166 PolarHBondContact O-N 2.99Å; E164-S166 VanDerWaalsContact C-N 3.31Å; E164-S166 PolarHBondContact O-N 3.12Å; S166-Q168 VanDerWaalsContact C-N 3.33Å; S166-Q168 PolarHBondContact O-N 2.87Å; S166-R169 PolarHBondContact O-N 3.2Å; S166-W170 WeakPolarHBondContact O-CB 3.43Å; S166-W170 PolarHBondContact O-N 3.29Å
167	L	94.3	Very high	93.1	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-43.8	174.1	-76.2	169.6	0	0	0	111.6	F117 M134 L135 F138 L163 E164 W170 K171 L174	F117-L167 HydrophobicContact CE1-CD2 3.74Å; F117-L167 HydrophobicContact CE1-CG 4.42Å; F117-L167 HydrophobicContact CE2-CD2 4.24Å; F117-L167 HydrophobicContact CZ-CD2 3.52Å; F117-L167 HydrophobicContact CZ-CG 3.85Å; M134-L167 HydrophobicContact CB-CD1 3.7Å; M134-L167 HydrophobicContact CE-CD1 4.22Å; L135-L167 HydrophobicContact CB-CD2 4.45Å; L135-L167 HydrophobicContact CD1-CD2 4.18Å; F138-L167 HydrophobicContact CD1-CB 4.06Å; F138-L167 HydrophobicContact CE1-CB 4.05Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 WeakPolarHBondContact O-CG 3.29Å; L163-L167 PolarHBondContact O-N 2.86Å; E164-L167 PolarHBondContact O-N 3.28Å; L167-W170 CarbonylContact O-C 3.45Å; L167-W170 PolarHBondContact O-N 2.99Å; L167-K171 PolarHBondContact O-N 3.16Å; L167-L174 HydrophobicContact CD2-CD1 3.75Å
168	Q	94.1	Very high	93.8	Very high	72 Å²	72	55.5 Å²	55.5	34%	0.336	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-44.4	177.6	-180	63.6	9.6	0	0	112	L145 E164 K165 S166 W170 K171	L145-Q168 HydrophobicContact CD1-CG 4.05Å; L145-Q168 HydrophobicContact CD2-CB 4.14Å; L145-Q168 HydrophobicContact CD2-CG 4.38Å; L145-Q168 HydrophobicContact CG-CG 4.3Å; E164-Q168 WeakPolarHBondContact O-CB 3.29Å; E164-Q168 PolarHBondContact O-N 3.36Å; K165-Q168 PolarHBondContact O-N 3.43Å; S166-Q168 VanDerWaalsContact C-N 3.33Å; S166-Q168 PolarHBondContact O-N 2.87Å; Q168-W170 PolarHBondContact O-N 3.15Å; Q168-K171 WeakPolarHBondContact O-CB 3.46Å; Q168-K171 PolarHBondContact O-N 2.89Å
169	R	94.1	Very high	94.3	Very high	200 Å²	200	54.6 Å²	54.6	76%	0.755	27%	0.268	S	S	*	.	H	α-helix	trans	-60.6	-35.2	175.9	-173.3	180	-69.4	178.2	-2.2	111.7	K165 S166	K165-R169 WeakPolarHBondContact O-CB 3.38Å; K165-R169 PolarHBondContact O-N 2.99Å; S166-R169 PolarHBondContact O-N 3.2Å
170	W	94.7	Very high	94.7	Very high	23 Å²	23	55 Å²	55	9%	0.087	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3.4	-179.7	-89.2	80.2	0	0	0	115.4	S115 F117 S120 Q121 S166 L167 Q168 I172 K173 L174	S115-W170 WeakPolarHBondContact O-CH2 3.38Å; S115-W170 WeakPolarHBondContact O-CZ3 3.28Å; F117-W170 HydrophobicContact CB-CE3 4.43Å; F117-W170 HydrophobicContact CD2-CB 3.65Å; F117-W170 AromaticContact CD2-CD2 3.99Å; F117-W170 HydrophobicContact CD2-CD2 3.99Å; F117-W170 HydrophobicContact CD2-CE3 4.43Å; F117-W170 AromaticContact CD2-CG 3.6Å; F117-W170 HydrophobicContact CD2-CG 3.6Å; F117-W170 HydrophobicContact CE2-CB 3.87Å; F117-W170 HydrophobicContact CE2-CG 4.04Å; S120-W170 WeakPolarHBondContact OG-CZ2 3.45Å; Q121-W170 HydrophobicContact CG-CG 4.37Å; S166-W170 WeakPolarHBondContact O-CB 3.43Å; S166-W170 PolarHBondContact O-N 3.29Å; L167-W170 CarbonylContact O-C 3.45Å; L167-W170 PolarHBondContact O-N 2.99Å; Q168-W170 PolarHBondContact O-N 3.15Å; W170-I172 VanDerWaalsContact C-N 3.31Å; W170-I172 PolarHBondContact O-N 2.84Å; W170-I172 VanDerWaalsContact O-N 3.13Å; W170-K173 HydrophobicContact CD2-CD 4.27Å; W170-K173 HydrophobicContact CE3-CB 3.53Å; W170-K173 HydrophobicContact CE3-CD 3.51Å; W170-K173 HydrophobicContact CE3-CG 4.12Å; W170-K173 HydrophobicContact CH2-CD 3.47Å; W170-K173 VanDerWaalsContact CH2-CD 3.47Å; W170-K173 HydrophobicContact CZ2-CD 4.21Å; W170-K173 HydrophobicContact CZ3-CB 3.64Å; W170-K173 HydrophobicContact CZ3-CD 3.02Å; W170-K173 HydrophobicContact CZ3-CG 3.96Å; W170-K173 PolarHBondContact O-N 2.92Å; W170-L174 HydrophobicContact CB-CD1 3.92Å; W170-L174 HydrophobicContact CB-CG 4.26Å; W170-L174 PolarHBondContact O-N 2.97Å
171	K	95.4	Very high	95	Very high	68 Å²	68	56.2 Å²	56.2	30%	0.296	27%	0.271	S	S	.	.	H	α-helix	trans	-45.4	-49.6	-175.2	167.2	173.3	173.8	168.7	0	113.7	F138 F143 L167 Q168 K173 L174 A175	F138-K171 HydrophobicContact CE1-CB 4.38Å; F138-K171 HydrophobicContact CZ-CB 4.28Å; F138-K171 HydrophobicContact CZ-CD 4.44Å; F138-K171 HydrophobicContact CZ-CG 4.48Å; F143-K171 HydrophobicContact CB-CD 3.97Å; F143-K171 HydrophobicContact CB-CG 3.93Å; F143-K171 HydrophobicContact CD1-CG 4.48Å; F143-K171 HydrophobicContact CG-CG 4.48Å; F143-K171 WeakPolarHBondContact O-CD 3.46Å; F143-K171 VanDerWaalsContact O-CE 3.26Å; F143-K171 WeakPolarHBondContact O-CE 3.38Å; F143-K171 PolarHBondContact O-NZ 3.09Å; L167-K171 PolarHBondContact O-N 3.16Å; Q168-K171 WeakPolarHBondContact O-CB 3.46Å; Q168-K171 PolarHBondContact O-N 2.89Å; K171-K173 PolarHBondContact O-N 3.44Å; K171-L174 PolarHBondContact O-N 3.29Å; K171-A175 VanDerWaalsContact O-CB 3.25Å; K171-A175 WeakPolarHBondContact O-CB 3.44Å; K171-A175 PolarHBondContact O-N 2.9Å
172	I	96.3	Very high	95.5	Very high	142 Å²	142	58.9 Å²	58.9	73%	0.728	28%	0.281	S	S	*	.	H	α-helix	trans	-62.1	-46.5	-175.4	-62.3	175.3	0	0	0	110.4	W170 A175 A176	W170-I172 VanDerWaalsContact C-N 3.31Å; W170-I172 PolarHBondContact O-N 2.84Å; W170-I172 VanDerWaalsContact O-N 3.13Å; I172-A175 PolarHBondContact O-N 2.86Å; I172-A176 VanDerWaalsContact O-CB 3.27Å; I172-A176 WeakPolarHBondContact O-CB 3.29Å; I172-A176 PolarHBondContact O-N 3.02Å
173	K	96.9	Very high	95.8	Very high	118 Å²	118	60.6 Å²	60.6	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-71.3	-37.4	-177.8	-67.9	-177.7	179.2	-177.8	0	111.9	W170 K171 S177	W170-K173 HydrophobicContact CD2-CD 4.27Å; W170-K173 HydrophobicContact CE3-CB 3.53Å; W170-K173 HydrophobicContact CE3-CD 3.51Å; W170-K173 HydrophobicContact CE3-CG 4.12Å; W170-K173 HydrophobicContact CH2-CD 3.47Å; W170-K173 VanDerWaalsContact CH2-CD 3.47Å; W170-K173 HydrophobicContact CZ2-CD 4.21Å; W170-K173 HydrophobicContact CZ3-CB 3.64Å; W170-K173 HydrophobicContact CZ3-CD 3.02Å; W170-K173 HydrophobicContact CZ3-CG 3.96Å; W170-K173 PolarHBondContact O-N 2.92Å; K171-K173 PolarHBondContact O-N 3.44Å; K173-S177 VanDerWaalsContact O-CB 3.27Å; K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3.46Å
174	L	97.4	Very high	95.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-45.6	173.8	-71.6	165.1	0	0	0	111.7	V111 S115 F117 L135 F143 L167 W170 K171 S177 L178	V111-L174 HydrophobicContact CG1-CD2 4.02Å; S115-L174 WeakPolarHBondContact OG-CD2 3.33Å; F117-L174 HydrophobicContact CB-CD2 4.05Å; F117-L174 HydrophobicContact CD2-CD1 4.39Å; F117-L174 HydrophobicContact CE2-CD1 4.5Å; F117-L174 HydrophobicContact CG-CD2 4.19Å; L135-L174 HydrophobicContact CD1-CD1 4.27Å; L135-L174 HydrophobicContact CD1-CD2 4.18Å; F143-L174 HydrophobicContact CE1-CB 3.94Å; L167-L174 HydrophobicContact CD2-CD1 3.75Å; W170-L174 HydrophobicContact CB-CD1 3.92Å; W170-L174 HydrophobicContact CB-CG 4.26Å; W170-L174 PolarHBondContact O-N 2.97Å; K171-L174 PolarHBondContact O-N 3.29Å; L174-S177 PolarHBondContact O-N 3.12Å; L174-L178 PolarHBondContact O-N 2.88Å
175	A	97.1	Very high	96.1	Very high	34 Å²	34	72.4 Å²	72.4	28%	0.281	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-40.2	176.4	0	0	0	0	0	112	F143 K171 I172 L178 A179	F143-A175 HydrophobicContact CD2-CB 4.18Å; F143-A175 HydrophobicContact CE1-CB 4.37Å; F143-A175 HydrophobicContact CE2-CB 3.97Å; F143-A175 HydrophobicContact CG-CB 4.48Å; F143-A175 HydrophobicContact CZ-CB 4.07Å; K171-A175 VanDerWaalsContact O-CB 3.25Å; K171-A175 WeakPolarHBondContact O-CB 3.44Å; K171-A175 PolarHBondContact O-N 2.9Å; I172-A175 PolarHBondContact O-N 2.86Å; A175-L178 PolarHBondContact O-N 3.28Å; A175-A179 WeakPolarHBondContact O-CB 3.18Å; A175-A179 PolarHBondContact O-N 3.13Å
176	A	97.8	Very high	96.3	Very high	36 Å²	36	71.8 Å²	71.8	30%	0.298	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.1	0	0	0	0	0	112.1	I172 A179 R180	I172-A176 VanDerWaalsContact O-CB 3.27Å; I172-A176 WeakPolarHBondContact O-CB 3.29Å; I172-A176 PolarHBondContact O-N 3.02Å; A176-A179 PolarHBondContact O-N 3.31Å; A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 3.18Å
177	S	97.9	Very high	96.4	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.007	36%	0.355	C	S	.	.	H	α-helix	trans	-60.2	-46.9	174.1	173.4	0	0	0	0	111.7	V111 D114 K173 L174 A179 R180 F181	V111-S177 VanDerWaalsContact CA-OG 3.24Å; V111-S177 WeakPolarHBondContact CA-OG 3.42Å; V111-S177 PolarHBondContact O-OG 3.49Å; D114-S177 WeakPolarHBondContact OD2-CB 3.37Å; D114-S177 PolarHBondContact OD2-OG 3.35Å; K173-S177 VanDerWaalsContact O-CB 3.27Å; K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3.46Å; L174-S177 PolarHBondContact O-N 3.12Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact O-N 3.38Å; S177-R180 PolarHBondContact O-N 2.85Å; S177-F181 WeakPolarHBondContact O-CB 3.29Å; S177-F181 PolarHBondContact O-N 2.72Å
178	L	97.6	Very high	96.4	Very high	13 Å²	13	81.9 Å²	81.9	7%	0.068	39%	0.393	C	S	.	.	H	α-helix	trans	-60.6	-40.6	173.6	179.8	61.4	0	0	0	112.5	L107 V111 Q139 F143 L174 A175 F181 R182 V190	L107-L178 HydrophobicContact CD1-CD1 4.31Å; L107-L178 HydrophobicContact CD2-CD1 3.72Å; L107-L178 HydrophobicContact CG-CD1 4.28Å; V111-L178 HydrophobicContact CG2-CB 4.01Å; V111-L178 HydrophobicContact CG2-CD1 4Å; Q139-L178 HydrophobicContact CB-CD2 4.47Å; F143-L178 HydrophobicContact CE2-CD2 3.96Å; F143-L178 HydrophobicContact CZ-CD2 3.95Å; L174-L178 PolarHBondContact O-N 2.88Å; A175-L178 PolarHBondContact O-N 3.28Å; L178-F181 PolarHBondContact O-N 3.41Å; L178-R182 WeakPolarHBondContact O-CG 2.93Å; L178-R182 PolarHBondContact O-N 3.07Å; L178-V190 HydrophobicContact CD1-CG2 4.27Å; L178-V190 HydrophobicContact CD2-CG2 4.1Å
179	A	97.2	Very high	96.3	Very high	45 Å²	45	80.4 Å²	80.4	37%	0.372	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-46.1	176.7	0	0	0	0	0	111.7	A175 A176 S177 F181 R182 V183	A175-A179 WeakPolarHBondContact O-CB 3.18Å; A175-A179 PolarHBondContact O-N 3.13Å; A176-A179 PolarHBondContact O-N 3.31Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact O-N 3.38Å; A179-F181 PolarHBondContact O-N 3.06Å; A179-R182 PolarHBondContact O-N 2.94Å; A179-V183 WeakPolarHBondContact O-CG2 3.22Å; A179-V183 PolarHBondContact O-N 2.96Å
180	R	97.8	Very high	96.3	Very high	117 Å²	117	72.3 Å²	72.3	44%	0.442	36%	0.363	S	S	.	.	H	α-helix	trans	-59.1	-45.9	174.7	-75.2	-171.5	-64.7	-89.8	5.2	111.7	D114 A176 S177 R182 V183 K184	D114-R180 IonicContact OD1-NE 3.57Å; D114-R180 IonicContact OD2-CZ 3.81Å; D114-R180 IonicContact OD2-NE 3.64Å; D114-R180 PolarHBondContact OD2-NE 3.32Å; D114-R180 IonicContact OD2-NH2 3.13Å; D114-R180 PolarHBondContact OD2-NH2 2.72Å; A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 3.18Å; S177-R180 PolarHBondContact O-N 2.85Å; R180-R182 VanDerWaalsContact C-N 3.33Å; R180-R182 PolarHBondContact O-N 2.88Å; R180-V183 PolarHBondContact O-N 3.41Å; R180-K184 VanDerWaalsContact O-CB 3.3Å; R180-K184 WeakPolarHBondContact O-CB 3.23Å; R180-K184 PolarHBondContact O-N 3.31Å
181	F	97.4	Very high	96.2	Very high	27 Å²	27	73.5 Å²	73.5	12%	0.118	38%	0.375	C	S	.	.	H	α-helix	trans	-57.1	-47.5	176	-174.6	-86	0	0	0	111.1	L107 A110 S177 L178 A179 V183 K184 H185 L187 F193	L107-F181 HydrophobicContact CB-CE1 4.1Å; L107-F181 HydrophobicContact CB-CZ 4.24Å; L107-F181 HydrophobicContact CD1-CD1 4.1Å; L107-F181 HydrophobicContact CD1-CE1 3.9Å; L107-F181 HydrophobicContact CG-CD1 4.01Å; L107-F181 HydrophobicContact CG-CE1 3.85Å; L107-F181 HydrophobicContact CG-CZ 4.41Å; A110-F181 HydrophobicContact CB-CD2 3.62Å; A110-F181 HydrophobicContact CB-CE2 3.55Å; S177-F181 WeakPolarHBondContact O-CB 3.29Å; S177-F181 PolarHBondContact O-N 2.72Å; L178-F181 PolarHBondContact O-N 3.41Å; A179-F181 PolarHBondContact O-N 3.06Å; F181-V183 PolarHBondContact O-N 3.07Å; F181-K184 PolarHBondContact O-N 3.39Å; F181-H185 AromaticContact CD1-CD2 3.98Å; F181-H185 AromaticContact CD2-CD2 3.85Å; F181-H185 AromaticContact CE1-CD2 3.75Å; F181-H185 AromaticContact CE2-CD2 3.62Å; F181-H185 AromaticContact CE2-NE2 3.54Å; F181-H185 AromaticContact CZ-CD2 3.56Å; F181-H185 AromaticContact CZ-NE2 3.72Å; F181-H185 WeakPolarHBondContact O-CB 3.23Å; F181-H185 PolarHBondContact O-CD2 2.93Å; F181-H185 VanDerWaalsContact O-CD2 3.3Å; F181-H185 PolarHBondContact O-N 2.89Å; F181-L187 HydrophobicContact CD1-CD1 4.26Å; F181-L187 HydrophobicContact CE1-CD1 4Å; F181-F193 HydrophobicContact CE1-CD2 4.05Å; F181-F193 HydrophobicContact CE1-CE2 4.38Å; F181-F193 HydrophobicContact CZ-CD2 4.32Å; F181-F193 HydrophobicContact CZ-CE2 4.19Å
182	R	97.2	Very high	96.2	Very high	86 Å²	86	76.3 Å²	76.3	33%	0.325	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-43.6	177.5	-75.2	172.3	60.6	-158.4	-0.4	112.6	L178 A179 R180 H185 S186 L187 R188	L178-R182 WeakPolarHBondContact O-CG 2.93Å; L178-R182 PolarHBondContact O-N 3.07Å; A179-R182 PolarHBondContact O-N 2.94Å; R180-R182 VanDerWaalsContact C-N 3.33Å; R180-R182 PolarHBondContact O-N 2.88Å; R182-H185 CarbonylContact O-C 3.58Å; R182-H185 PolarHBondContact O-N 3.46Å; R182-S186 CarbonylContact O-C 3.58Å; R182-S186 WeakPolarHBondContact O-CA 3.28Å; R182-S186 PolarHBondContact O-N 3.03Å; R182-L187 HydrophobicContact CB-CB 4.2Å; R182-L187 HydrophobicContact CG-CB 4.16Å; R182-L187 PolarHBondContact NE-O 3.49Å; R182-L187 PolarHBondContact O-N 2.92Å; R182-R188 PolarHBondContact NH2-O 3.35Å
183	V	97.2	Very high	96.2	Very high	117 Å²	117	72.2 Å²	72.2	71%	0.709	36%	0.361	S	S	*	.	H	α-helix	trans	-64.2	-48.5	177.4	172.6	0	0	0	0	110.4	A179 R180 F181 H185 S186	A179-V183 WeakPolarHBondContact O-CG2 3.22Å; A179-V183 PolarHBondContact O-N 2.96Å; R180-V183 PolarHBondContact O-N 3.41Å; F181-V183 PolarHBondContact O-N 3.07Å; V183-H185 VanDerWaalsContact C-N 3.25Å; V183-H185 PolarHBondContact O-N 3.41Å; V183-S186 PolarHBondContact O-N 3.38Å
184	K	96.7	Very high	96.1	Very high	171 Å²	171	66.9 Å²	66.9	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-56.1	-39.1	178.6	-177.4	179.1	179.7	179.4	0	112.7	R180 F181	R180-K184 VanDerWaalsContact O-CB 3.3Å; R180-K184 WeakPolarHBondContact O-CB 3.23Å; R180-K184 PolarHBondContact O-N 3.31Å; F181-K184 PolarHBondContact O-N 3.39Å
185	H	95.8	Very high	96	Very high	97 Å²	97	69.6 Å²	69.6	45%	0.449	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9.8	179.9	-70.2	-84.5	0	0	0	113.8	F181 R182 V183 L187	F181-H185 AromaticContact CD1-CD2 3.98Å; F181-H185 AromaticContact CD2-CD2 3.85Å; F181-H185 AromaticContact CE1-CD2 3.75Å; F181-H185 AromaticContact CE2-CD2 3.62Å; F181-H185 AromaticContact CE2-NE2 3.54Å; F181-H185 AromaticContact CZ-CD2 3.56Å; F181-H185 AromaticContact CZ-NE2 3.72Å; F181-H185 WeakPolarHBondContact O-CB 3.23Å; F181-H185 PolarHBondContact O-CD2 2.93Å; F181-H185 VanDerWaalsContact O-CD2 3.3Å; F181-H185 PolarHBondContact O-N 2.89Å; R182-H185 CarbonylContact O-C 3.58Å; R182-H185 PolarHBondContact O-N 3.46Å; V183-H185 VanDerWaalsContact C-N 3.25Å; V183-H185 PolarHBondContact O-N 3.41Å; H185-L187 VanDerWaalsContact C-N 3.26Å; H185-L187 HydrophobicContact CB-CD1 4.01Å; H185-L187 HydrophobicContact CB-CD2 4.27Å; H185-L187 HydrophobicContact CB-CG 3.75Å; H185-L187 WeakPolarHBondContact O-CD2 3.44Å; H185-L187 PolarHBondContact O-N 3.45Å
186	S	96.6	Very high	95.9	Very high	109 Å²	109	72.9 Å²	72.9	76%	0.762	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.5	-179.4	-61.5	0	0	0	0	114.8	R182 V183	R182-S186 CarbonylContact O-C 3.58Å; R182-S186 WeakPolarHBondContact O-CA 3.28Å; R182-S186 PolarHBondContact O-N 3.03Å; V183-S186 PolarHBondContact O-N 3.38Å
187	L	95.7	Very high	95.7	Very high	27 Å²	27	74.5 Å²	74.5	14%	0.141	38%	0.378	C	S	.	.			trans	-89.9	109.6	-175.8	-55.3	-179.3	0	0	0	112.1	F181 R182 H185 S189 R192 F193	F181-L187 HydrophobicContact CD1-CD1 4.26Å; F181-L187 HydrophobicContact CE1-CD1 4Å; R182-L187 HydrophobicContact CB-CB 4.2Å; R182-L187 HydrophobicContact CG-CB 4.16Å; R182-L187 PolarHBondContact NE-O 3.49Å; R182-L187 PolarHBondContact O-N 2.92Å; H185-L187 VanDerWaalsContact C-N 3.26Å; H185-L187 HydrophobicContact CB-CD1 4.01Å; H185-L187 HydrophobicContact CB-CD2 4.27Å; H185-L187 HydrophobicContact CB-CG 3.75Å; H185-L187 WeakPolarHBondContact O-CD2 3.44Å; H185-L187 PolarHBondContact O-N 3.45Å; L187-S189 PolarHBondContact O-N 2.84Å; L187-R192 HydrophobicContact CB-CB 4.46Å; L187-R192 HydrophobicContact CD2-CB 4.14Å; L187-F193 HydrophobicContact CD1-CB 4.15Å; L187-F193 HydrophobicContact CD1-CD2 4.47Å
188	R	92.9	Very high	95.6	Very high	217 Å²	217	75 Å²	75	82%	0.819	38%	0.381	S	S	*	.	S	Bend	trans	-59.3	-30.6	175.3	-66	-172.6	-179.3	-175.1	0.9	113.4	R182	R182-R188 PolarHBondContact NH2-O 3.35Å
189	S	93.3	Very high	95.5	Very high	40 Å²	40	75.9 Å²	75.9	28%	0.28	38%	0.383	S	S	.	.	S	Bend	trans	-147.3	162.9	175.4	60.3	0	0	0	0	110.1	L187 S191 R192	L187-S189 PolarHBondContact O-N 2.84Å; S189-S191 PolarHBondContact O-N 3.19Å; S189-S191 PolarHBondContact OG-OG 3.19Å; S189-R192 WeakPolarHBondContact O-CB 3.38Å; S189-R192 PolarHBondContact O-N 2.78Å; S189-R192 VanDerWaalsContact O-N 3.1Å; S189-R192 WeakPolarHBondContact OG-CG 2.96Å
190	V	93.6	Very high	95.4	Very high	31 Å²	31	75.5 Å²	75.5	19%	0.188	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-56.4	-41.6	174.8	178.1	0	0	0	0	111.1	Y104 L107 L178 R192 F193	Y104-V190 HydrophobicContact CD1-CG1 4.09Å; Y104-V190 HydrophobicContact CE1-CG1 3.82Å; L107-V190 HydrophobicContact CD1-CG1 4.14Å; L178-V190 HydrophobicContact CD1-CG2 4.27Å; L178-V190 HydrophobicContact CD2-CG2 4.1Å; V190-R192 PolarHBondContact O-N 3.01Å; V190-R192 VanDerWaalsContact O-N 3.1Å; V190-F193 WeakPolarHBondContact O-CB 3.19Å; V190-F193 PolarHBondContact O-N 3.17Å
191	S	93.2	Very high	95.3	Very high	48 Å²	48	71.7 Å²	71.7	34%	0.336	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-58.9	-25.6	179.2	57.7	0	0	0	0	114	S189 F193 L194 R199	S189-S191 PolarHBondContact O-N 3.19Å; S189-S191 PolarHBondContact OG-OG 3.19Å; S191-F193 PolarHBondContact O-N 3.01Å; S191-L194 PolarHBondContact O-N 3.06Å; S191-R199 WeakPolarHBondContact O-CD 3.16Å; S191-R199 WeakPolarHBondContact O-CG 3.29Å
192	R	95.2	Very high	95.1	Very high	126 Å²	126	71.9 Å²	71.9	48%	0.475	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-67.9	-10	176.4	-69.6	-72.2	-173.4	151.9	1.8	113.4	L187 S189 V190 L194	L187-R192 HydrophobicContact CB-CB 4.46Å; L187-R192 HydrophobicContact CD2-CB 4.14Å; S189-R192 WeakPolarHBondContact O-CB 3.38Å; S189-R192 PolarHBondContact O-N 2.78Å; S189-R192 VanDerWaalsContact O-N 3.1Å; S189-R192 WeakPolarHBondContact OG-CG 2.96Å; V190-R192 PolarHBondContact O-N 3.01Å; V190-R192 VanDerWaalsContact O-N 3.1Å; R192-L194 VanDerWaalsContact C-N 3.25Å
193	F	95.8	Very high	95	Very high	56 Å²	56	75.7 Å²	75.7	25%	0.246	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-62.3	-33.9	167.1	179.7	-103	0	0	0	112.1	K103 Y104 D106 L107 F181 L187 V190 S191	K103-F193 WeakPolarHBondContact O-CE1 3.46Å; Y104-F193 HydrophobicContact CD1-CB 4.38Å; Y104-F193 AromaticContact CD1-CD1 3.73Å; Y104-F193 HydrophobicContact CD1-CD1 3.73Å; Y104-F193 HydrophobicContact CD1-CG 4.41Å; Y104-F193 HydrophobicContact CE1-CB 4.36Å; Y104-F193 HydrophobicContact CE1-CD1 4.3Å; D106-F193 HydrophobicContact CB-CZ 3.9Å; L107-F193 HydrophobicContact CB-CD1 4.21Å; L107-F193 HydrophobicContact CB-CD2 4.05Å; L107-F193 HydrophobicContact CB-CE1 4.2Å; L107-F193 HydrophobicContact CB-CE2 4.03Å; L107-F193 HydrophobicContact CB-CG 4.16Å; L107-F193 HydrophobicContact CB-CZ 4.14Å; L107-F193 HydrophobicContact CD1-CB 3.89Å; L107-F193 HydrophobicContact CD1-CD1 4.41Å; L107-F193 HydrophobicContact CD1-CD2 4.08Å; L107-F193 HydrophobicContact CD1-CG 3.85Å; F181-F193 HydrophobicContact CE1-CD2 4.05Å; F181-F193 HydrophobicContact CE1-CE2 4.38Å; F181-F193 HydrophobicContact CZ-CD2 4.32Å; F181-F193 HydrophobicContact CZ-CE2 4.19Å; L187-F193 HydrophobicContact CD1-CB 4.15Å; L187-F193 HydrophobicContact CD1-CD2 4.47Å; V190-F193 WeakPolarHBondContact O-CB 3.19Å; V190-F193 PolarHBondContact O-N 3.17Å; S191-F193 PolarHBondContact O-N 3.01Å
194	L	95.8	Very high	94.9	Very high	7 Å²	7	74.1 Å²	74.1	4%	0.037	36%	0.36	C	S	.	.	S	Bend	trans	-81.9	151.5	178.7	-54.4	-174.8	0	0	0	111.8	K103 Y104 S191 R192 L198 R199	K103-L194 HydrophobicContact CB-CD1 4.38Å; K103-L194 HydrophobicContact CB-CD2 3.84Å; K103-L194 HydrophobicContact CD-CD1 4.29Å; K103-L194 WeakPolarHBondContact O-CD2 3.44Å; Y104-L194 HydrophobicContact CD1-CD2 4.25Å; Y104-L194 HydrophobicContact CE1-CD1 4.2Å; Y104-L194 HydrophobicContact CE1-CD2 3.98Å; Y104-L194 HydrophobicContact CE1-CG 3.81Å; Y104-L194 HydrophobicContact CE2-CD1 4Å; Y104-L194 HydrophobicContact CE2-CD2 4.42Å; Y104-L194 HydrophobicContact CE2-CG 4.41Å; Y104-L194 VanDerWaalsContact OH-CD1 3.25Å; Y104-L194 WeakPolarHBondContact OH-CD1 3.34Å; S191-L194 PolarHBondContact O-N 3.06Å; R192-L194 VanDerWaalsContact C-N 3.25Å; L194-L198 HydrophobicContact CB-CB 4.11Å; L194-L198 HydrophobicContact CB-CD1 4.42Å; L194-L198 HydrophobicContact CD1-CB 4.45Å; L194-L198 HydrophobicContact CD2-CD1 4.47Å; L194-R199 HydrophobicContact CB-CG 3.92Å; L194-R199 PolarHBondContact O-NH1 3.41Å
195	S	95.4	Very high	94.7	Very high	56 Å²	56	66.5 Å²	66.5	39%	0.392	33%	0.329	S	S	.	.			trans	-60.8	157	173.3	71.8	0	0	0	0	112.6	S197 L198 R199	S195-S197 PolarHBondContact O-N 3.14Å; S195-L198 PolarHBondContact O-N 2.96Å; S195-L198 VanDerWaalsContact O-N 3.12Å; S195-L198 WeakPolarHBondContact OG-CG 3.19Å; S195-L198 PolarHBondContact OG-N 3.11Å; S195-R199 WeakPolarHBondContact O-CG 3.16Å; S195-R199 PolarHBondContact O-N 2.89Å
196	D	94.9	Very high	94.4	Very high	104 Å²	104	69.1 Å²	69.1	56%	0.556	34%	0.339	S	S	*	.	H	α-helix	trans	-59.3	-35.2	-178.9	-75	34.6	0	0	0	112.8	R199 T200	D196-R199 IonicContact OD1-CZ 3.76Å; D196-R199 IonicContact OD1-NH1 2.71Å; D196-R199 PolarHBondContact OD1-NH1 3.18Å; D196-R199 IonicContact OD1-NH2 2.98Å; D196-R199 PolarHBondContact OD1-NH2 3.12Å; D196-R199 IonicContact OD2-NH2 3.3Å; D196-R199 PolarHBondContact OD2-NH2 2.95Å; D196-R199 VanDerWaalsContact OD2-NH2 3.11Å; D196-T200 VanDerWaalsContact O-CB 3.3Å; D196-T200 WeakPolarHBondContact O-CB 3.4Å; D196-T200 PolarHBondContact O-N 2.88Å; D196-T200 PolarHBondContact O-OG1 2.96Å
197	S	93.4	Very high	94.1	Very high	69 Å²	69	67 Å²	67	48%	0.483	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-50.7	173.8	178.6	0	0	0	0	111.5	S195 T200 K201	S195-S197 PolarHBondContact O-N 3.14Å; S197-T200 PolarHBondContact O-N 2.94Å; S197-K201 PolarHBondContact O-N 3.01Å
198	L	95.5	Very high	93.9	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.058	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-43.8	178.8	-72.5	175.8	0	0	0	112.3	L194 S195 T200 K201 E202 L408 S409	L194-L198 HydrophobicContact CB-CB 4.11Å; L194-L198 HydrophobicContact CB-CD1 4.42Å; L194-L198 HydrophobicContact CD1-CB 4.45Å; L194-L198 HydrophobicContact CD2-CD1 4.47Å; S195-L198 PolarHBondContact O-N 2.96Å; S195-L198 VanDerWaalsContact O-N 3.12Å; S195-L198 WeakPolarHBondContact OG-CG 3.19Å; S195-L198 PolarHBondContact OG-N 3.11Å; L198-T200 PolarHBondContact O-N 3.02Å; L198-K201 WeakPolarHBondContact O-CB 3.48Å; L198-K201 PolarHBondContact O-N 2.85Å; L198-E202 WeakPolarHBondContact O-CG 3.29Å; L198-E202 PolarHBondContact O-N 2.99Å; L198-L408 WeakPolarHBondContact CD2-O 3.12Å; L198-S409 WeakPolarHBondContact CD1-O 3.3Å
199	R	95.4	Very high	93.9	Very high	32 Å²	32	56.8 Å²	56.8	12%	0.121	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-34.2	176.6	-63.4	-168.5	-42.4	-97.3	2.2	112.1	S191 L194 S195 D196 R203	S191-R199 WeakPolarHBondContact O-CD 3.16Å; S191-R199 WeakPolarHBondContact O-CG 3.29Å; L194-R199 HydrophobicContact CB-CG 3.92Å; L194-R199 PolarHBondContact O-NH1 3.41Å; S195-R199 WeakPolarHBondContact O-CG 3.16Å; S195-R199 PolarHBondContact O-N 2.89Å; D196-R199 IonicContact OD1-CZ 3.76Å; D196-R199 IonicContact OD1-NH1 2.71Å; D196-R199 PolarHBondContact OD1-NH1 3.18Å; D196-R199 IonicContact OD1-NH2 2.98Å; D196-R199 PolarHBondContact OD1-NH2 3.12Å; D196-R199 IonicContact OD2-NH2 3.3Å; D196-R199 PolarHBondContact OD2-NH2 2.95Å; D196-R199 VanDerWaalsContact OD2-NH2 3.11Å; R199-R203 WeakPolarHBondContact O-CG 3.43Å; R199-R203 PolarHBondContact O-N 3.43Å
200	T	95.4	Very high	93.9	Very high	37 Å²	37	55.8 Å²	55.8	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-44.1	176.3	-63.9	0	0	0	0	111	D196 S197 L198 R203 R204	D196-T200 VanDerWaalsContact O-CB 3.3Å; D196-T200 WeakPolarHBondContact O-CB 3.4Å; D196-T200 PolarHBondContact O-N 2.88Å; D196-T200 PolarHBondContact O-OG1 2.96Å; S197-T200 PolarHBondContact O-N 2.94Å; L198-T200 PolarHBondContact O-N 3.02Å; T200-R203 PolarHBondContact O-N 3.17Å; T200-R203 PolarHBondContact OG1-NH2 3.43Å; T200-R204 WeakPolarHBondContact O-CG 3.34Å; T200-R204 PolarHBondContact O-N 3.35Å
201	K	95.6	Very high	94	Very high	37 Å²	37	54.8 Å²	54.8	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-46.2	171.4	-74.5	-171.7	172.4	-157.1	0	112.4	S197 L198 R203 R204 A205 S386 L388	S197-K201 PolarHBondContact O-N 3.01Å; L198-K201 WeakPolarHBondContact O-CB 3.48Å; L198-K201 PolarHBondContact O-N 2.85Å; K201-R203 PolarHBondContact O-N 3.45Å; K201-R204 PolarHBondContact O-N 2.9Å; K201-A205 VanDerWaalsContact O-CB 3.22Å; K201-A205 WeakPolarHBondContact O-CB 3.13Å; K201-A205 PolarHBondContact O-N 3.41Å; K201-S386 PolarHBondContact NZ-O 3.3Å; K201-L388 PolarHBondContact NZ-O 2.71Å; K201-L388 VanDerWaalsContact NZ-O 3.09Å
202	E	93.6	Very high	94.2	Very high	31 Å²	31	52.5 Å²	52.5	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-39.2	178.1	-72.7	-169.2	150.3	0	0	113	K103 L198 K206	K103-E202 VanDerWaalsContact CD-OE1 3.29Å; K103-E202 WeakPolarHBondContact CD-OE1 3.43Å; K103-E202 IonicContact NZ-OE1 2.73Å; K103-E202 PolarHBondContact NZ-OE1 3.08Å; L198-E202 WeakPolarHBondContact O-CG 3.29Å; L198-E202 PolarHBondContact O-N 2.99Å; E202-K206 WeakPolarHBondContact O-CG 3.38Å; E202-K206 PolarHBondContact O-N 2.93Å
203	R	94.4	Very high	94.3	Very high	166 Å²	166	46.5 Å²	46.5	63%	0.626	23%	0.232	S	C	*	.	H	α-helix	trans	-63.4	-48.8	174.6	-78.9	-174.6	-64.7	-179.3	3.4	111.4	R199 T200 K201 A205 K206 S207	R199-R203 WeakPolarHBondContact O-CG 3.43Å; R199-R203 PolarHBondContact O-N 3.43Å; T200-R203 PolarHBondContact O-N 3.17Å; T200-R203 PolarHBondContact OG1-NH2 3.43Å; K201-R203 PolarHBondContact O-N 3.45Å; R203-A205 VanDerWaalsContact C-N 3.34Å; R203-A205 PolarHBondContact O-N 2.91Å; R203-K206 PolarHBondContact O-N 3.47Å; R203-S207 PolarHBondContact O-N 2.86Å
204	R	94.8	Very high	94.4	Very high	84 Å²	84	43.8 Å²	43.8	32%	0.317	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-42.6	177	-70	171.5	-177.6	174.5	-1.2	111.5	T200 K201 K206 S207 L208 N389 P499	T200-R204 WeakPolarHBondContact O-CG 3.34Å; T200-R204 PolarHBondContact O-N 3.35Å; K201-R204 PolarHBondContact O-N 2.9Å; R204-K206 PolarHBondContact O-N 3.21Å; R204-S207 PolarHBondContact O-N 2.64Å; R204-S207 VanDerWaalsContact O-N 3.11Å; R204-S207 PolarHBondContact O-OG 3.11Å; R204-S207 VanDerWaalsContact O-OG 3.12Å; R204-L208 WeakPolarHBondContact O-CB 3.28Å; R204-L208 WeakPolarHBondContact O-CD1 3.11Å; R204-L208 WeakPolarHBondContact O-CG 3.18Å; R204-L208 PolarHBondContact O-N 2.65Å; R204-N389 HydrophobicContact CB-CB 4.24Å; R204-N389 WeakPolarHBondContact CB-OD1 3.38Å; R204-N389 WeakPolarHBondContact CD-OD1 3.32Å; R204-P499 VanDerWaalsContact CZ-O 3.32Å; R204-P499 PolarHBondContact NH1-O 3.09Å
205	A	92.8	Very high	94.5	Very high	11 Å²	11	43.5 Å²	43.5	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-31	176.6	0	0	0	0	0	113.1	K201 R203 R261 N389 D390	K201-A205 VanDerWaalsContact O-CB 3.22Å; K201-A205 WeakPolarHBondContact O-CB 3.13Å; K201-A205 PolarHBondContact O-N 3.41Å; R203-A205 VanDerWaalsContact C-N 3.34Å; R203-A205 PolarHBondContact O-N 2.91Å; A205-R261 VanDerWaalsContact O-CZ 3.24Å; A205-R261 PolarHBondContact O-NH1 3.13Å; A205-R261 PolarHBondContact O-NH2 3.48Å; A205-N389 HydrophobicContact CB-CB 4.16Å; A205-D390 HydrophobicContact CB-CB 3.88Å
206	K	89.6	Confident	94.5	Very high	153 Å²	153	44 Å²	44	67%	0.665	22%	0.219	S	C	*	.	H	α-helix	trans	-77.7	-31	177	-72.1	172.7	-177.4	-176.3	0	113.2	E202 R203 R204 R261	E202-K206 WeakPolarHBondContact O-CG 3.38Å; E202-K206 PolarHBondContact O-N 2.93Å; R203-K206 PolarHBondContact O-N 3.47Å; R204-K206 PolarHBondContact O-N 3.21Å; K206-R261 WeakPolarHBondContact O-CD 3.37Å; K206-R261 PolarHBondContact O-NE 3.36Å
207	S	89.1	Confident	94.4	Very high	64 Å²	64	42 Å²	42	45%	0.448	21%	0.208	S	C	.	.	H	α-helix	trans	-94.2	-15.2	179.8	63.6	0	0	0	0	114	R203 R204 Q501	R203-S207 PolarHBondContact O-N 2.86Å; R204-S207 PolarHBondContact O-N 2.64Å; R204-S207 VanDerWaalsContact O-N 3.11Å; R204-S207 PolarHBondContact O-OG 3.11Å; R204-S207 VanDerWaalsContact O-OG 3.12Å; S207-Q501 PolarHBondContact OG-O 3.27Å
208	L	91.8	Very high	94.4	Very high	16 Å²	16	42 Å²	42	8%	0.084	20%	0.203	C	C	.	.			trans	-51.3	122.3	-174.4	-107.9	150.3	0	0	0	111.3	R204 R261 N389	R204-L208 WeakPolarHBondContact O-CB 3.28Å; R204-L208 WeakPolarHBondContact O-CD1 3.11Å; R204-L208 WeakPolarHBondContact O-CG 3.18Å; R204-L208 PolarHBondContact O-N 2.65Å; L208-R261 PolarHBondContact O-NH1 2.88Å; L208-N389 HydrophobicContact CD1-CB 3.49Å; L208-N389 VanDerWaalsContact CD1-CB 3.49Å; L208-N389 VanDerWaalsContact CD1-ND2 3.34Å; L208-N389 WeakPolarHBondContact CD1-ND2 3.49Å
209	P	94	Very high	94.4	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.084	20%	0.201	C	C	.	.			trans	-65.7	169.9	167	31.4	-35.1	0	0	0	109.4	Y211 L242 V258 F259 F502	P209-Y211 HydrophobicContact CG-CE2 4.2Å; P209-L242 HydrophobicContact CB-CD1 4.15Å; P209-V258 HydrophobicContact CB-CG1 3.84Å; P209-V258 HydrophobicContact CG-CG1 4.02Å; P209-F259 WeakPolarHBondContact CA-O 3.19Å; P209-F259 WeakPolarHBondContact CB-O 3.25Å; P209-F502 VanDerWaalsContact CD-O 3.29Å; P209-F502 WeakPolarHBondContact CD-O 3.27Å; P209-F502 WeakPolarHBondContact CG-O 3.46Å
210	F	92.6	Very high	94.3	Very high	20 Å²	20	42.9 Å²	42.9	9%	0.088	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	155.1	171.3	70.6	-83.4	0	0	0	110.4	F259 S260 L263 C264 L267 I280	F210-F259 HydrophobicContact CD1-CB 3.87Å; F210-F259 HydrophobicContact CD2-CB 4.17Å; F210-F259 HydrophobicContact CD2-CD2 4.22Å; F210-F259 HydrophobicContact CE1-CB 3.32Å; F210-F259 HydrophobicContact CE1-CG 4.31Å; F210-F259 HydrophobicContact CE2-CB 3.67Å; F210-F259 AromaticContact CE2-CD2 3.7Å; F210-F259 HydrophobicContact CE2-CD2 3.7Å; F210-F259 AromaticContact CE2-CG 3.85Å; F210-F259 HydrophobicContact CE2-CG 3.85Å; F210-F259 HydrophobicContact CG-CB 4.28Å; F210-F259 HydrophobicContact CZ-CB 3.23Å; F210-F259 HydrophobicContact CZ-CD2 4.08Å; F210-F259 AromaticContact CZ-CG 3.72Å; F210-F259 HydrophobicContact CZ-CG 3.72Å; F210-F259 PolarHBondContact N-O 2.82Å; F210-F259 PolarHBondContact O-N 2.77Å; F210-S260 WeakPolarHBondContact CE1-O 3.32Å; F210-L263 HydrophobicContact CE1-CB 4.04Å; F210-L263 HydrophobicContact CZ-CB 4.13Å; F210-C264 HydrophobicContact CD1-CB 3.61Å; F210-C264 HydrophobicContact CE1-CB 3.56Å; F210-C264 HydrophobicContact CG-CB 4.29Å; F210-C264 VanDerWaalsContact CZ-CA 3.5Å; F210-C264 HydrophobicContact CZ-CB 4.21Å; F210-L267 HydrophobicContact CE2-CB 4.48Å; F210-L267 HydrophobicContact CE2-CD1 4.14Å; F210-L267 HydrophobicContact CZ-CB 4.22Å; F210-L267 HydrophobicContact CZ-CD1 3.68Å; F210-I280 HydrophobicContact CD2-CD1 4.15Å; F210-I280 HydrophobicContact CD2-CG1 4.05Å; F210-I280 HydrophobicContact CD2-CG2 4.14Å; F210-I280 HydrophobicContact CE2-CD1 3.98Å; F210-I280 HydrophobicContact CE2-CG1 4.09Å
211	Y	96.3	Very high	94.3	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.5	-174.7	-64.6	-99	0	0	0	108.5	P209 D250 T256 L257 V258 I280 Q281 R283 F502	P209-Y211 HydrophobicContact CG-CE2 4.2Å; Y211-D250 VanDerWaalsContact CE1-OD2 3.26Å; Y211-D250 WeakPolarHBondContact CE1-OD2 3.17Å; Y211-T256 HydrophobicContact CD1-CG2 4.16Å; Y211-L257 WeakPolarHBondContact CA-O 3.27Å; Y211-V258 HydrophobicContact CD1-CB 4.3Å; Y211-V258 HydrophobicContact CD1-CG1 4.12Å; Y211-V258 HydrophobicContact CD1-CG2 3.69Å; Y211-V258 HydrophobicContact CE1-CB 4.13Å; Y211-V258 HydrophobicContact CE1-CG1 3.7Å; Y211-V258 HydrophobicContact CE1-CG2 3.43Å; Y211-V258 VanDerWaalsContact CE1-CG2 3.43Å; Y211-V258 HydrophobicContact CE2-CG1 4.45Å; Y211-I280 WeakPolarHBondContact O-CA 3.33Å; Y211-Q281 CarbonylContact C-O 3.59Å; Y211-Q281 WeakPolarHBondContact CB-O 3.38Å; Y211-Q281 PolarHBondContact O-N 3.26Å; Y211-Q281 VanDerWaalsContact O-O 3.07Å; Y211-R283 HydrophobicContact CD1-CB 3.81Å; Y211-R283 HydrophobicContact CD1-CG 3.65Å; Y211-R283 HydrophobicContact CD2-CB 3.71Å; Y211-R283 HydrophobicContact CD2-CG 4.42Å; Y211-R283 HydrophobicContact CE1-CB 3.91Å; Y211-R283 VanDerWaalsContact CE1-CD 3.45Å; Y211-R283 HydrophobicContact CE1-CG 3.54Å; Y211-R283 HydrophobicContact CE2-CB 3.8Å; Y211-R283 HydrophobicContact CE2-CG 4.33Å; Y211-R283 HydrophobicContact CG-CB 3.71Å; Y211-R283 HydrophobicContact CG-CG 4.1Å; Y211-F502 WeakPolarHBondContact CE2-O 3.42Å; Y211-F502 PolarHBondContact OH-O 2.79Å
212	A	97.3	Very high	94.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132.4	172.7	0	0	0	0	0	110.6	T256 L257 F259 L278 N279 I280	A212-T256 WeakPolarHBondContact O-CA 3.23Å; A212-L257 PolarHBondContact N-O 3.49Å; A212-L257 PolarHBondContact O-N 3.34Å; A212-F259 HydrophobicContact CB-CD2 4.5Å; A212-F259 HydrophobicContact CB-CE2 4.04Å; A212-L278 HydrophobicContact CB-CD1 3.67Å; A212-L278 HydrophobicContact CB-CD2 4.27Å; A212-L278 HydrophobicContact CB-CG 3.71Å; A212-N279 CarbonylContact C-O 3.5Å; A212-N279 WeakPolarHBondContact CA-O 3.39Å; A212-N279 WeakPolarHBondContact CB-O 3.46Å; A212-I280 HydrophobicContact CB-CG1 4.02Å
213	W	97.8	Very high	94.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144	175	61.8	-93.9	0	0	0	110.5	N215 D255 N279 L311 A314 H315 V318 M349	W213-N215 HydrophobicContact CZ3-CB 3.89Å; W213-D255 CarbonylContact C-O 3.37Å; W213-D255 WeakPolarHBondContact CA-O 3.14Å; W213-N279 HydrophobicContact CD2-CB 3.74Å; W213-N279 HydrophobicContact CE3-CB 4.33Å; W213-N279 HydrophobicContact CG-CB 4.17Å; W213-N279 HydrophobicContact CH2-CB 4.27Å; W213-N279 HydrophobicContact CZ2-CB 3.65Å; W213-N279 PolarHBondContact N-O 2.99Å; W213-N279 PolarHBondContact O-N 2.69Å; W213-L311 HydrophobicContact CZ2-CD1 3.65Å; W213-L311 HydrophobicContact CZ2-CG 3.99Å; W213-A314 HydrophobicContact CH2-CB 4.32Å; W213-A314 HydrophobicContact CZ2-CB 4.45Å; W213-H315 AromaticContact CD1-CE1 3.75Å; W213-H315 AromaticContact CD1-ND1 3.38Å; W213-H315 HydrophobicContact CD2-CB 4.18Å; W213-H315 AromaticContact CD2-CD2 3.98Å; W213-H315 AromaticContact CD2-CG 3.77Å; W213-H315 AromaticContact CD2-ND1 3.89Å; W213-H315 AromaticContact CE2-CG 3.72Å; W213-H315 AromaticContact CE2-ND1 3.9Å; W213-H315 AromaticContact CG-CE1 3.6Å; W213-H315 AromaticContact CG-CG 3.95Å; W213-H315 AromaticContact CG-ND1 3.57Å; W213-H315 HydrophobicContact CH2-CB 4.16Å; W213-H315 HydrophobicContact CZ2-CB 3.66Å; W213-H315 AromaticContact NE1-CG 3.84Å; W213-H315 AromaticContact NE1-ND1 3.56Å; W213-V318 HydrophobicContact CH2-CG2 4.4Å; W213-V318 HydrophobicContact CZ3-CG2 4.15Å; W213-M349 HydrophobicContact CH2-CE 3.57Å; W213-M349 HydrophobicContact CZ2-CE 4.36Å; W213-M349 HydrophobicContact CZ3-CE 4.3Å
214	V	97.8	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.4	179.8	178.9	0	0	0	0	108.6	T216 T219 L221 M224 D255 L257 L278	V214-T216 PolarHBondContact O-N 3.01Å; V214-T219 HydrophobicContact CG1-CG2 3.3Å; V214-L221 HydrophobicContact CB-CD1 4.34Å; V214-L221 HydrophobicContact CG2-CD1 3.7Å; V214-M224 HydrophobicContact CG1-CB 4.17Å; V214-M224 HydrophobicContact CG1-CG 4.41Å; V214-M224 HydrophobicContact CG2-CB 4.08Å; V214-M224 HydrophobicContact CG2-CG 3.78Å; V214-D255 PolarHBondContact N-O 2.98Å; V214-L257 HydrophobicContact CG2-CD1 4.14Å; V214-L257 HydrophobicContact CG2-CG 4.35Å; V214-L278 HydrophobicContact CG2-CD1 3.95Å
215	N	96.9	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.			trans	-72.3	97	174.8	-175.1	-4.3	0	0	0	110.4	W213 L217 N218 T219 R276 V277 V318 M349	W213-N215 HydrophobicContact CZ3-CB 3.89Å; N215-L217 PolarHBondContact O-N 2.9Å; N215-L217 VanDerWaalsContact O-N 3.11Å; N215-L217 WeakPolarHBondContact OD1-CB 3.42Å; N215-L217 PolarHBondContact OD1-N 3.2Å; N215-N218 PolarHBondContact ND2-OD1 2.56Å; N215-N218 PolarHBondContact O-N 2.55Å; N215-T219 PolarHBondContact O-N 2.93Å; N215-T219 VanDerWaalsContact O-N 3.14Å; N215-R276 WeakPolarHBondContact CB-O 3.33Å; N215-V277 PolarHBondContact N-O 3.09Å; N215-V318 WeakPolarHBondContact OD1-CG2 3.43Å; N215-M349 HydrophobicContact CB-CE 4.45Å; N215-M349 WeakPolarHBondContact ND2-CE 3.19Å
216	T	95.4	Very high	94.5	Very high	66 Å²	66	39.9 Å²	39.9	41%	0.405	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.3	-176.1	61.8	0	0	0	0	114.7	V214 N218 T219 D255 V318	V214-T216 PolarHBondContact O-N 3.01Å; T216-N218 VanDerWaalsContact C-N 3.33Å; T216-T219 VanDerWaalsContact CA-O 3.29Å; T216-T219 WeakPolarHBondContact CA-O 3.2Å; T216-D255 HydrophobicContact CG2-CB 4.16Å; T216-V318 WeakPolarHBondContact OG1-CG1 3.46Å
217	L	93.8	Very high	94.7	Very high	64 Å²	64	34.1 Å²	34.1	34%	0.335	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-31.8	167.2	-61.1	178.4	0	0	0	111.4	K22 N215 V318 A321 I351	K22-L217 PolarHBondContact NZ-O 2.93Å; N215-L217 PolarHBondContact O-N 2.9Å; N215-L217 VanDerWaalsContact O-N 3.11Å; N215-L217 WeakPolarHBondContact OD1-CB 3.42Å; N215-L217 PolarHBondContact OD1-N 3.2Å; L217-V318 HydrophobicContact CD1-CG2 3.87Å; L217-V318 HydrophobicContact CG-CG1 4.27Å; L217-V318 HydrophobicContact CG-CG2 4.06Å; L217-A321 HydrophobicContact CD2-CB 3.9Å; L217-I351 HydrophobicContact CD1-CG1 4.09Å
218	N	92.5	Very high	94.9	Very high	68 Å²	68	31.1 Å²	31.1	36%	0.364	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-56	-178.4	-65.6	76.7	0	0	0	111.7	N215 T216 V277	N215-N218 PolarHBondContact ND2-OD1 2.56Å; N215-N218 PolarHBondContact O-N 2.55Å; T216-N218 VanDerWaalsContact C-N 3.33Å; N218-V277 HydrophobicContact CB-CG2 4.48Å
219	T	94.8	Very high	95	Very high	4 Å²	4	35 Å²	35	3%	0.025	18%	0.179	C	C	.	.			trans	-137.9	154.2	-171.7	-164.2	0	0	0	0	112.2	L25 V214 N215 T216 E223 M224 V277	L25-T219 HydrophobicContact CD1-CG2 4.39Å; L25-T219 WeakPolarHBondContact CD1-OG1 3.01Å; V214-T219 HydrophobicContact CG1-CG2 3.3Å; N215-T219 PolarHBondContact O-N 2.93Å; N215-T219 VanDerWaalsContact O-N 3.14Å; T216-T219 VanDerWaalsContact CA-O 3.29Å; T216-T219 WeakPolarHBondContact CA-O 3.2Å; T219-E223 WeakPolarHBondContact OG1-CG 3.39Å; T219-E223 PolarHBondContact OG1-OE2 3.36Å; T219-M224 HydrophobicContact CG2-CB 4.29Å; T219-V277 HydrophobicContact CG2-CG1 3.64Å
220	S	95.2	Very high	94.8	Very high	58 Å²	58	38.9 Å²	38.9	41%	0.406	21%	0.207	S	C	.	.			trans	-79.2	159.9	171.1	70.8	0	0	0	0	111.6	D222 E223 M224	S220-D222 VanDerWaalsContact C-N 3.26Å; S220-D222 PolarHBondContact O-N 3.35Å; S220-E223 PolarHBondContact O-N 3.11Å; S220-E223 VanDerWaalsContact OG-CB 3.25Å; S220-E223 WeakPolarHBondContact OG-CB 3.19Å; S220-E223 PolarHBondContact OG-N 2.99Å; S220-E223 VanDerWaalsContact OG-N 3.1Å; S220-M224 PolarHBondContact O-N 3.33Å
221	L	94.5	Very high	94.6	Very high	26 Å²	26	38.2 Å²	38.2	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-40.7	173.9	-172.2	74.2	0	0	0	111.3	V214 M224 C225 K249 P254 L257	V214-L221 HydrophobicContact CB-CD1 4.34Å; V214-L221 HydrophobicContact CG2-CD1 3.7Å; L221-M224 WeakPolarHBondContact O-CB 3.28Å; L221-M224 PolarHBondContact O-N 3.21Å; L221-C225 PolarHBondContact O-N 3.22Å; L221-C225 PolarHBondContact O-SG 2.98Å; L221-K249 HydrophobicContact CD2-CD 3.97Å; L221-K249 HydrophobicContact CD2-CG 4.15Å; L221-P254 WeakPolarHBondContact CD2-O 3.48Å; L221-L257 HydrophobicContact CD1-CD1 4.36Å; L221-L257 HydrophobicContact CD1-CD2 3.66Å; L221-L257 HydrophobicContact CD1-CG 3.79Å; L221-L257 HydrophobicContact CG-CD2 4.35Å
222	D	95.1	Very high	94.2	Very high	97 Å²	97	43 Å²	43	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-68.6	-42.3	-177.9	-64.5	-43	0	0	0	111.8	S220 M224 C225 E226 K249	S220-D222 VanDerWaalsContact C-N 3.26Å; S220-D222 PolarHBondContact O-N 3.35Å; D222-M224 VanDerWaalsContact C-N 3.32Å; D222-M224 PolarHBondContact O-N 3.21Å; D222-C225 WeakPolarHBondContact O-CB 3.31Å; D222-C225 PolarHBondContact O-N 2.99Å; D222-C225 VanDerWaalsContact O-N 3.07Å; D222-E226 WeakPolarHBondContact O-CG 3.38Å; D222-E226 PolarHBondContact O-N 2.88Å; D222-K249 IonicContact OD1-NZ 2.63Å; D222-K249 PolarHBondContact OD1-NZ 3.36Å
223	E	95.5	Very high	94	Very high	76 Å²	76	43.2 Å²	43.2	36%	0.355	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-41.1	172.4	-175.4	-177.2	-163.6	0	0	111.5	T219 S220 C225 E226 I227	T219-E223 WeakPolarHBondContact OG1-CG 3.39Å; T219-E223 PolarHBondContact OG1-OE2 3.36Å; S220-E223 PolarHBondContact O-N 3.11Å; S220-E223 VanDerWaalsContact OG-CB 3.25Å; S220-E223 WeakPolarHBondContact OG-CB 3.19Å; S220-E223 PolarHBondContact OG-N 2.99Å; S220-E223 VanDerWaalsContact OG-N 3.1Å; E223-C225 VanDerWaalsContact C-N 3.3Å; E223-C225 PolarHBondContact O-N 3.09Å; E223-E226 WeakPolarHBondContact O-CB 3.41Å; E223-E226 PolarHBondContact O-N 3.1Å; E223-I227 HydrophobicContact CG-CD1 4.28Å; E223-I227 WeakPolarHBondContact O-CG1 3.32Å; E223-I227 PolarHBondContact O-N 3.33Å
224	M	95.5	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-39.7	172.8	-172.2	71.2	-110	0	0	111.7	V214 T219 S220 L221 D222 I227 L228 L257 L272 V277	V214-M224 HydrophobicContact CG1-CB 4.17Å; V214-M224 HydrophobicContact CG1-CG 4.41Å; V214-M224 HydrophobicContact CG2-CB 4.08Å; V214-M224 HydrophobicContact CG2-CG 3.78Å; T219-M224 HydrophobicContact CG2-CB 4.29Å; S220-M224 PolarHBondContact O-N 3.33Å; L221-M224 WeakPolarHBondContact O-CB 3.28Å; L221-M224 PolarHBondContact O-N 3.21Å; D222-M224 VanDerWaalsContact C-N 3.32Å; D222-M224 PolarHBondContact O-N 3.21Å; M224-I227 HydrophobicContact CE-CB 3.93Å; M224-I227 HydrophobicContact CE-CG2 3.72Å; M224-I227 PolarHBondContact O-N 3Å; M224-L228 HydrophobicContact CE-CD1 4.16Å; M224-L228 HydrophobicContact CE-CD2 3.8Å; M224-L228 HydrophobicContact CE-CG 3.61Å; M224-L228 HydrophobicContact CG-CD1 4.28Å; M224-L228 VanDerWaalsContact O-CG 3.3Å; M224-L228 WeakPolarHBondContact O-CG 3.22Å; M224-L228 PolarHBondContact O-N 2.97Å; M224-L257 HydrophobicContact CG-CD1 3.89Å; M224-L272 HydrophobicContact CE-CD1 3.35Å; M224-L272 HydrophobicContact CE-CD2 3.79Å; M224-L272 HydrophobicContact CE-CG 4.17Å; M224-L272 HydrophobicContact SD-CD1 4.39Å; M224-L272 HydrophobicContact SD-CD2 4.22Å; M224-V277 HydrophobicContact SD-CG1 4.3Å
225	C	95.3	Very high	93.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-39.2	176.3	-63.6	0	0	0	0	111.8	L221 D222 E223 L228 R229 F247 K249	L221-C225 PolarHBondContact O-N 3.22Å; L221-C225 PolarHBondContact O-SG 2.98Å; D222-C225 WeakPolarHBondContact O-CB 3.31Å; D222-C225 PolarHBondContact O-N 2.99Å; D222-C225 VanDerWaalsContact O-N 3.07Å; E223-C225 VanDerWaalsContact C-N 3.3Å; E223-C225 PolarHBondContact O-N 3.09Å; C225-L228 PolarHBondContact O-N 2.97Å; C225-R229 WeakPolarHBondContact O-CB 3.26Å; C225-R229 WeakPolarHBondContact O-CG 3.35Å; C225-R229 PolarHBondContact O-N 3.16Å; C225-F247 HydrophobicContact CB-CE2 4.14Å; C225-F247 HydrophobicContact CB-CZ 4.16Å; C225-K249 WeakPolarHBondContact SG-CE 3.31Å
226	E	94.7	Very high	93.5	Very high	103 Å²	103	51.5 Å²	51.5	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-45.7	172.3	-65.3	-62.8	154.5	0	0	111.8	D222 E223 L228 R229 S230	D222-E226 WeakPolarHBondContact O-CG 3.38Å; D222-E226 PolarHBondContact O-N 2.88Å; E223-E226 WeakPolarHBondContact O-CB 3.41Å; E223-E226 PolarHBondContact O-N 3.1Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 3.02Å; E226-R229 VanDerWaalsContact CD-CZ 3.44Å; E226-R229 PolarHBondContact O-N 3.41Å; E226-R229 IonicContact OE1-CZ 3.66Å; E226-R229 VanDerWaalsContact OE1-CZ 3.27Å; E226-R229 IonicContact OE1-NH1 2.76Å; E226-R229 PolarHBondContact OE1-NH1 3.34Å; E226-R229 VanDerWaalsContact OE1-NH1 3.09Å; E226-R229 IonicContact OE1-NH2 3.12Å; E226-R229 PolarHBondContact OE1-NH2 3.47Å; E226-R229 IonicContact OE2-CZ 2.67Å; E226-R229 IonicContact OE2-NH1 3.61Å; E226-R229 PolarHBondContact OE2-NH1 3.17Å; E226-R229 IonicContact OE2-NH2 3.3Å; E226-R229 PolarHBondContact OE2-NH2 3.33Å; E226-S230 PolarHBondContact O-N 3.43Å; E226-S230 PolarHBondContact O-OG 3.21Å
227	I	92.6	Very high	93.3	Very high	32 Å²	32	57.7 Å²	57.7	16%	0.164	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-45	176.9	-69.1	166.2	0	0	0	110.5	L31 E223 M224 S230 A231 L272	L31-I227 HydrophobicContact CD1-CG2 3.51Å; E223-I227 HydrophobicContact CG-CD1 4.28Å; E223-I227 WeakPolarHBondContact O-CG1 3.32Å; E223-I227 PolarHBondContact O-N 3.33Å; M224-I227 HydrophobicContact CE-CB 3.93Å; M224-I227 HydrophobicContact CE-CG2 3.72Å; M224-I227 PolarHBondContact O-N 3Å; I227-S230 PolarHBondContact O-N 3.19Å; I227-S230 PolarHBondContact O-OG 2.81Å; I227-A231 PolarHBondContact O-N 2.99Å; I227-A231 VanDerWaalsContact O-N 3.12Å; I227-L272 HydrophobicContact CG2-CD2 4.42Å
228	L	92.8	Very high	93	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-38	178.1	-66	167.5	0	0	0	112.2	M224 C225 E226 A231 L233 F247 L257 F259 L272	M224-L228 HydrophobicContact CE-CD1 4.16Å; M224-L228 HydrophobicContact CE-CD2 3.8Å; M224-L228 HydrophobicContact CE-CG 3.61Å; M224-L228 HydrophobicContact CG-CD1 4.28Å; M224-L228 VanDerWaalsContact O-CG 3.3Å; M224-L228 WeakPolarHBondContact O-CG 3.22Å; M224-L228 PolarHBondContact O-N 2.97Å; C225-L228 PolarHBondContact O-N 2.97Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 3.02Å; L228-A231 CarbonylContact O-C 3.56Å; L228-A231 WeakPolarHBondContact O-CA 3.14Å; L228-A231 WeakPolarHBondContact O-CB 3.43Å; L228-A231 PolarHBondContact O-N 3.46Å; L228-A231 VanDerWaalsContact O-N 3.13Å; L228-L233 HydrophobicContact CB-CB 4.39Å; L228-L233 HydrophobicContact CB-CD1 4.31Å; L228-L233 HydrophobicContact CD2-CD1 3.78Å; L228-L233 WeakPolarHBondContact O-CB 3.49Å; L228-L233 PolarHBondContact O-N 2.97Å; L228-F247 HydrophobicContact CB-CD1 4.15Å; L228-F247 HydrophobicContact CB-CE1 3.64Å; L228-F247 HydrophobicContact CB-CZ 3.84Å; L228-F247 HydrophobicContact CD1-CD1 4.34Å; L228-F247 HydrophobicContact CD1-CD2 3.95Å; L228-F247 HydrophobicContact CD1-CE1 4.31Å; L228-F247 HydrophobicContact CD1-CE2 3.93Å; L228-F247 HydrophobicContact CD1-CG 4.15Å; L228-F247 HydrophobicContact CD1-CZ 4.11Å; L228-L257 HydrophobicContact CD1-CD1 3.53Å; L228-F259 HydrophobicContact CD1-CE1 3.8Å; L228-F259 HydrophobicContact CD1-CZ 3.82Å; L228-F259 HydrophobicContact CD2-CE1 4.15Å; L228-L272 HydrophobicContact CD2-CD1 4.26Å
229	R	93.9	Very high	92.8	Very high	97 Å²	97	58 Å²	58	37%	0.366	30%	0.304	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.5	-79.2	-172.1	-85.3	109.8	-3.6	112.4	C225 E226 A231 N232 L233 F247	C225-R229 WeakPolarHBondContact O-CB 3.26Å; C225-R229 WeakPolarHBondContact O-CG 3.35Å; C225-R229 PolarHBondContact O-N 3.16Å; E226-R229 VanDerWaalsContact CD-CZ 3.44Å; E226-R229 PolarHBondContact O-N 3.41Å; E226-R229 IonicContact OE1-CZ 3.66Å; E226-R229 VanDerWaalsContact OE1-CZ 3.27Å; E226-R229 IonicContact OE1-NH1 2.76Å; E226-R229 PolarHBondContact OE1-NH1 3.34Å; E226-R229 VanDerWaalsContact OE1-NH1 3.09Å; E226-R229 IonicContact OE1-NH2 3.12Å; E226-R229 PolarHBondContact OE1-NH2 3.47Å; E226-R229 IonicContact OE2-CZ 2.67Å; E226-R229 IonicContact OE2-NH1 3.61Å; E226-R229 PolarHBondContact OE2-NH1 3.17Å; E226-R229 IonicContact OE2-NH2 3.3Å; E226-R229 PolarHBondContact OE2-NH2 3.33Å; R229-A231 PolarHBondContact O-N 3.03Å; R229-N232 PolarHBondContact O-N 2.78Å; R229-N232 VanDerWaalsContact O-N 3.08Å; R229-L233 WeakPolarHBondContact CA-O 3.43Å; R229-F247 HydrophobicContact CG-CE1 4.3Å; R229-F247 HydrophobicContact CG-CZ 4.33Å
230	S	90.9	Very high	92.5	Very high	96 Å²	96	61.2 Å²	61.2	67%	0.671	33%	0.331	S	S	*	.	H	α-helix	trans	-63.4	-23.5	172.5	69.1	0	0	0	0	113.2	E226 I227 N232	E226-S230 PolarHBondContact O-N 3.43Å; E226-S230 PolarHBondContact O-OG 3.21Å; I227-S230 PolarHBondContact O-N 3.19Å; I227-S230 PolarHBondContact O-OG 2.81Å; S230-N232 VanDerWaalsContact C-N 3.27Å; S230-N232 PolarHBondContact O-N 3.3Å
231	A	88.3	Confident	92.3	Very high	6 Å²	6	62.3 Å²	62.3	5%	0.05	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	13.9	173.8	0	0	0	0	0	114.4	L31 L34 I227 L228 R229	L31-A231 HydrophobicContact CB-CB 3.96Å; L31-A231 HydrophobicContact CD1-CB 4.04Å; L34-A231 HydrophobicContact CD1-CB 4.41Å; I227-A231 PolarHBondContact O-N 2.99Å; I227-A231 VanDerWaalsContact O-N 3.12Å; L228-A231 CarbonylContact O-C 3.56Å; L228-A231 WeakPolarHBondContact O-CA 3.14Å; L228-A231 WeakPolarHBondContact O-CB 3.43Å; L228-A231 PolarHBondContact O-N 3.46Å; L228-A231 VanDerWaalsContact O-N 3.13Å; R229-A231 PolarHBondContact O-N 3.03Å
232	N	88.7	Confident	92.1	Very high	110 Å²	110	62.6 Å²	62.6	59%	0.588	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	24.6	-177.6	-51.7	-75.2	0	0	0	115.4	H33 R229 S230	H33-N232 PolarHBondContact ND1-ND2 3.05Å; R229-N232 PolarHBondContact O-N 2.78Å; R229-N232 VanDerWaalsContact O-N 3.08Å; S230-N232 VanDerWaalsContact C-N 3.27Å; S230-N232 PolarHBondContact O-N 3.3Å
233	L	91.9	Very high	91.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-96.8	134.2	169	-60	176.3	0	0	0	110.4	L34 L228 R229 S245 F247 L263	L34-L233 HydrophobicContact CD1-CD1 3.64Å; L34-L233 HydrophobicContact CD1-CG 4.32Å; L228-L233 HydrophobicContact CB-CB 4.39Å; L228-L233 HydrophobicContact CB-CD1 4.31Å; L228-L233 HydrophobicContact CD2-CD1 3.78Å; L228-L233 WeakPolarHBondContact O-CB 3.49Å; L228-L233 PolarHBondContact O-N 2.97Å; R229-L233 WeakPolarHBondContact CA-O 3.43Å; L233-S245 WeakPolarHBondContact CA-O 3.42Å; L233-F247 HydrophobicContact CB-CD1 3.78Å; L233-F247 HydrophobicContact CB-CE1 4.05Å; L233-L263 HydrophobicContact CD1-CD1 4.33Å; L233-L263 HydrophobicContact CD2-CD1 3.74Å; L233-L263 HydrophobicContact CD2-CD2 3.82Å; L233-L263 HydrophobicContact CD2-CG 4.45Å
234	S	92.6	Very high	91.3	Very high	73 Å²	73	61.1 Å²	61.1	51%	0.51	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.5	179.2	-61	0	0	0	0	111.6	S245 T246 F247	S234-S245 PolarHBondContact N-O 3.45Å; S234-T246 CarbonylContact O-C 3.54Å; S234-T246 WeakPolarHBondContact O-CA 3.13Å; S234-T246 VanDerWaalsContact O-CB 3.28Å; S234-T246 WeakPolarHBondContact O-CB 3.42Å; S234-F247 PolarHBondContact O-N 3.42Å
235	E	95.2	Very high	90.9	Very high	76 Å²	76	63.2 Å²	63.2	36%	0.355	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.3	173.7	-171.3	175.1	170.6	0	0	110	F247 K249	E235-F247 CarbonylContact C-O 3.54Å; E235-F247 VanDerWaalsContact CA-O 3.31Å; E235-F247 WeakPolarHBondContact CA-O 3.46Å; E235-F247 HydrophobicContact CB-CE1 4.09Å; E235-F247 HydrophobicContact CB-CE2 4.09Å; E235-F247 HydrophobicContact CB-CZ 3.76Å; E235-F247 HydrophobicContact CG-CE2 4.02Å; E235-F247 HydrophobicContact CG-CZ 4.2Å; E235-K249 WeakPolarHBondContact OE1-CE 3.18Å
236	V	94.9	Very high	90.8	Very high	26 Å²	26	63.6 Å²	63.6	16%	0.158	35%	0.352	C	S	.	.			trans	-114.7	154.5	173.4	-61.9	0	0	0	0	110.4	D241 L242 T246 F247 S248	V236-D241 HydrophobicContact CB-CB 4.01Å; V236-D241 HydrophobicContact CG1-CB 4.28Å; V236-D241 HydrophobicContact CG2-CB 4.23Å; V236-L242 HydrophobicContact CG2-CD2 3.81Å; V236-L242 HydrophobicContact CG2-CG 4.25Å; V236-T246 HydrophobicContact CG1-CG2 3.74Å; V236-F247 WeakPolarHBondContact CG2-O 3.22Å; V236-F247 PolarHBondContact N-O 2.72Å; V236-S248 PolarHBondContact O-OG 3.21Å
237	K	90.6	Very high	90.8	Very high	195 Å²	195	58.7 Å²	58.7	85%	0.848	33%	0.329	S	S	*	.	S	Bend	trans	-78.5	-40.2	-177.4	-67.6	-175.1	178.9	-179.3	0	113
238	N	87.4	Confident	91	Very high	96 Å²	96	57.3 Å²	57.3	51%	0.513	32%	0.323	S	S	.	.	S	Bend	trans	-114.4	146.4	-175.6	-51.1	-72.4	0	0	0	111.2	A240 D241	N238-A240 PolarHBondContact O-N 3.04Å; N238-A240 VanDerWaalsContact O-N 3.16Å; N238-D241 WeakPolarHBondContact CB-OD2 3.3Å; N238-D241 PolarHBondContact ND2-OD2 2.52Å; N238-D241 VanDerWaalsContact ND2-OD2 3.08Å; N238-D241 PolarHBondContact O-N 2.75Å
239	M	87.8	Confident	91.2	Very high	43 Å²	43	60.5 Å²	60.5	21%	0.212	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.2	-25.4	173	-67.1	-177.3	-75.2	0	0	113	D241 L242 V258 F502	M239-D241 PolarHBondContact O-N 3.26Å; M239-L242 HydrophobicContact CB-CD1 4.25Å; M239-L242 WeakPolarHBondContact O-CB 3.41Å; M239-L242 WeakPolarHBondContact O-CG 3.25Å; M239-L242 PolarHBondContact O-N 3.27Å; M239-V258 HydrophobicContact CG-CG1 4.35Å; M239-V258 HydrophobicContact CG-CG2 4.48Å; M239-V258 HydrophobicContact SD-CG1 4.39Å; M239-V258 HydrophobicContact SD-CG2 4.43Å; M239-F502 HydrophobicContact CB-CD1 3.97Å; M239-F502 HydrophobicContact CB-CE1 4.35Å; M239-F502 HydrophobicContact CB-CG 4.31Å; M239-F502 WeakPolarHBondContact O-CE1 3.42Å; M239-F502 HydrophobicContact SD-CB 4.29Å
240	A	88.6	Confident	91.2	Very high	72 Å²	72	56.2 Å²	56.2	60%	0.595	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-67	-24	176.2	0	0	0	0	0	113.1	N238 L242 F502	N238-A240 PolarHBondContact O-N 3.04Å; N238-A240 VanDerWaalsContact O-N 3.16Å; A240-L242 VanDerWaalsContact C-N 3.31Å; A240-F502 HydrophobicContact CB-CZ 4.03Å
241	D	90.6	Very high	91.2	Very high	80 Å²	80	56 Å²	56	43%	0.428	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-90.8	3.6	-177.8	-53.8	-38.4	0	0	0	111.9	V236 N238 M239 T243	V236-D241 HydrophobicContact CB-CB 4.01Å; V236-D241 HydrophobicContact CG1-CB 4.28Å; V236-D241 HydrophobicContact CG2-CB 4.23Å; N238-D241 WeakPolarHBondContact CB-OD2 3.3Å; N238-D241 PolarHBondContact ND2-OD2 2.52Å; N238-D241 VanDerWaalsContact ND2-OD2 3.08Å; N238-D241 PolarHBondContact O-N 2.75Å; M239-D241 PolarHBondContact O-N 3.26Å; D241-T243 PolarHBondContact O-N 2.67Å; D241-T243 VanDerWaalsContact O-N 3.13Å
242	L	90.6	Very high	91.4	Very high	32 Å²	32	56.4 Å²	56.4	17%	0.168	32%	0.318	C	S	.	.			trans	-66.5	112.1	-179.7	-74.1	171.4	0	0	0	111.3	P209 V236 M239 A240 T246 V258	P209-L242 HydrophobicContact CB-CD1 4.15Å; V236-L242 HydrophobicContact CG2-CD2 3.81Å; V236-L242 HydrophobicContact CG2-CG 4.25Å; M239-L242 HydrophobicContact CB-CD1 4.25Å; M239-L242 WeakPolarHBondContact O-CB 3.41Å; M239-L242 WeakPolarHBondContact O-CG 3.25Å; M239-L242 PolarHBondContact O-N 3.27Å; A240-L242 VanDerWaalsContact C-N 3.31Å; L242-T246 WeakPolarHBondContact CA-OG1 3.48Å; L242-V258 HydrophobicContact CD1-CB 4.36Å; L242-V258 HydrophobicContact CD1-CG1 3.74Å
243	T	88.6	Confident	91.6	Very high	82 Å²	82	51.1 Å²	51.1	50%	0.503	29%	0.29	S	S	.	.			trans	-112.3	-179.3	170.9	67.7	0	0	0	0	111.5	D241 S245 T246 S260	D241-T243 PolarHBondContact O-N 2.67Å; D241-T243 VanDerWaalsContact O-N 3.13Å; T243-S245 PolarHBondContact O-N 2.73Å; T243-T246 PolarHBondContact N-OG1 2.83Å; T243-T246 PolarHBondContact O-N 2.67Å; T243-T246 PolarHBondContact O-OG1 3.11Å; T243-T246 WeakPolarHBondContact OG1-CG2 3.36Å; T243-S260 WeakPolarHBondContact O-CB 3.34Å; T243-S260 PolarHBondContact O-OG 2.9Å
244	C	85.4	Confident	91.6	Very high	61 Å²	61	55.4 Å²	55.4	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.2	-165.9	60.9	0	0	0	0	116.4	S262 L263	C244-S262 WeakPolarHBondContact CA-OG 3.34Å; C244-S262 WeakPolarHBondContact CB-OG 3.37Å; C244-S262 PolarHBondContact O-OG 2.98Å; C244-L263 VanDerWaalsContact O-CD2 3.28Å; C244-L263 WeakPolarHBondContact O-CD2 3.12Å; C244-L263 VanDerWaalsContact O-CG 3.31Å; C244-L263 WeakPolarHBondContact O-CG 3.23Å
245	S	88	Confident	91.8	Very high	43 Å²	43	52.2 Å²	52.2	30%	0.301	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	31.3	-179.1	-52.3	0	0	0	0	112.1	L233 S234 T243	L233-S245 WeakPolarHBondContact CA-O 3.42Å; S234-S245 PolarHBondContact N-O 3.45Å; T243-S245 PolarHBondContact O-N 2.73Å
246	T	92.7	Very high	91.9	Very high	10 Å²	10	48.6 Å²	48.6	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157	-178.3	61.1	0	0	0	0	112.4	S234 V236 L242 T243	S234-T246 CarbonylContact O-C 3.54Å; S234-T246 WeakPolarHBondContact O-CA 3.13Å; S234-T246 VanDerWaalsContact O-CB 3.28Å; S234-T246 WeakPolarHBondContact O-CB 3.42Å; V236-T246 HydrophobicContact CG1-CG2 3.74Å; L242-T246 WeakPolarHBondContact CA-OG1 3.48Å; T243-T246 PolarHBondContact N-OG1 2.83Å; T243-T246 PolarHBondContact O-N 2.67Å; T243-T246 PolarHBondContact O-OG1 3.11Å; T243-T246 WeakPolarHBondContact OG1-CG2 3.36Å
247	F	95.6	Very high	92	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.6	171.6	71.3	-80.8	0	0	0	110	C225 L228 R229 L233 S234 E235 V236 L257 V258 F259	C225-F247 HydrophobicContact CB-CE2 4.14Å; C225-F247 HydrophobicContact CB-CZ 4.16Å; L228-F247 HydrophobicContact CB-CD1 4.15Å; L228-F247 HydrophobicContact CB-CE1 3.64Å; L228-F247 HydrophobicContact CB-CZ 3.84Å; L228-F247 HydrophobicContact CD1-CD1 4.34Å; L228-F247 HydrophobicContact CD1-CD2 3.95Å; L228-F247 HydrophobicContact CD1-CE1 4.31Å; L228-F247 HydrophobicContact CD1-CE2 3.93Å; L228-F247 HydrophobicContact CD1-CG 4.15Å; L228-F247 HydrophobicContact CD1-CZ 4.11Å; R229-F247 HydrophobicContact CG-CE1 4.3Å; R229-F247 HydrophobicContact CG-CZ 4.33Å; L233-F247 HydrophobicContact CB-CD1 3.78Å; L233-F247 HydrophobicContact CB-CE1 4.05Å; S234-F247 PolarHBondContact O-N 3.42Å; E235-F247 CarbonylContact C-O 3.54Å; E235-F247 VanDerWaalsContact CA-O 3.31Å; E235-F247 WeakPolarHBondContact CA-O 3.46Å; E235-F247 HydrophobicContact CB-CE1 4.09Å; E235-F247 HydrophobicContact CB-CE2 4.09Å; E235-F247 HydrophobicContact CB-CZ 3.76Å; E235-F247 HydrophobicContact CG-CE2 4.02Å; E235-F247 HydrophobicContact CG-CZ 4.2Å; V236-F247 WeakPolarHBondContact CG2-O 3.22Å; V236-F247 PolarHBondContact N-O 2.72Å; F247-L257 HydrophobicContact CD2-CD1 4.48Å; F247-L257 HydrophobicContact CD2-CD2 4.22Å; F247-L257 HydrophobicContact CE2-CD2 4.41Å; F247-V258 CarbonylContact C-O 3.6Å; F247-V258 VanDerWaalsContact CA-O 3.23Å; F247-V258 WeakPolarHBondContact CA-O 3.36Å; F247-V258 WeakPolarHBondContact CB-O 3.47Å; F247-F259 HydrophobicContact CB-CD1 3.57Å; F247-F259 HydrophobicContact CB-CE1 3.63Å; F247-F259 HydrophobicContact CB-CG 4.38Å; F247-F259 HydrophobicContact CB-CZ 4.47Å; F247-F259 HydrophobicContact CG-CE1 4.23Å
248	S	96.3	Very high	92.3	Very high	3 Å²	3	38 Å²	38	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.6	177.2	-179.9	0	0	0	0	109.4	V236 L257 V258	V236-S248 PolarHBondContact O-OG 3.21Å; S248-L257 CarbonylContact O-C 3.47Å; S248-L257 WeakPolarHBondContact O-CA 3.2Å; S248-V258 PolarHBondContact N-O 2.8Å; S248-V258 PolarHBondContact O-N 3.04Å
249	K	95.9	Very high	92.6	Very high	66 Å²	66	33.5 Å²	33.5	29%	0.287	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	144.8	163.4	-63.6	178.3	176.5	-176	0	109.3	L221 D222 C225 E235 L257	L221-K249 HydrophobicContact CD2-CD 3.97Å; L221-K249 HydrophobicContact CD2-CG 4.15Å; D222-K249 IonicContact OD1-NZ 2.63Å; D222-K249 PolarHBondContact OD1-NZ 3.36Å; C225-K249 WeakPolarHBondContact SG-CE 3.31Å; E235-K249 WeakPolarHBondContact OE1-CE 3.18Å; K249-L257 HydrophobicContact CG-CD2 3.91Å
250	D	94.8	Very high	92.8	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.043	20%	0.199	C	C	.	.			trans	-78	130.8	172.1	-168.7	-72.4	0	0	0	109.9	Y211 L252 C253 T256 V258 R283	Y211-D250 VanDerWaalsContact CE1-OD2 3.26Å; Y211-D250 WeakPolarHBondContact CE1-OD2 3.17Å; D250-L252 VanDerWaalsContact C-N 3.28Å; D250-L252 PolarHBondContact O-N 2.71Å; D250-L252 WeakPolarHBondContact OD1-CA 3.26Å; D250-L252 PolarHBondContact OD1-N 3.12Å; D250-C253 HydrophobicContact CB-CB 3.99Å; D250-C253 PolarHBondContact OD1-N 3.1Å; D250-C253 VanDerWaalsContact OD1-N 3.1Å; D250-T256 HydrophobicContact CB-CG2 4.17Å; D250-T256 WeakPolarHBondContact CB-O 3.49Å; D250-T256 PolarHBondContact N-O 2.86Å; D250-V258 HydrophobicContact CB-CG2 4.05Å; D250-R283 IonicContact OD1-CZ 3.52Å; D250-R283 IonicContact OD1-NE 3.27Å; D250-R283 IonicContact OD1-NH2 2.79Å; D250-R283 PolarHBondContact OD1-NH2 2.88Å; D250-R283 IonicContact OD2-CZ 2.75Å; D250-R283 IonicContact OD2-NE 3.35Å; D250-R283 PolarHBondContact OD2-NE 3.41Å; D250-R283 IonicContact OD2-NH2 2.78Å; D250-R283 PolarHBondContact OD2-NH2 3.05Å
251	P	91	Very high	92.8	Very high	91 Å²	91	34.6 Å²	34.6	59%	0.591	19%	0.194	S	C	*	.	S	Bend	trans	-70	-22.2	-177	26.3	-34.3	0	0	0	114
252	L	91.3	Very high	92.6	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.073	18%	0.181	C	C	.	.	S	Bend	trans	-107.6	-15.8	-175.3	-57.9	-175.6	0	0	0	112.8	D250 L287 F480 F495	D250-L252 VanDerWaalsContact C-N 3.28Å; D250-L252 PolarHBondContact O-N 2.71Å; D250-L252 WeakPolarHBondContact OD1-CA 3.26Å; D250-L252 PolarHBondContact OD1-N 3.12Å; L252-L287 HydrophobicContact CB-CD2 3.53Å; L252-L287 HydrophobicContact CD1-CD2 3.81Å; L252-L287 HydrophobicContact CG-CD2 4.33Å; L252-F480 HydrophobicContact CB-CD1 4.19Å; L252-F480 HydrophobicContact CB-CE1 4.06Å; L252-F480 HydrophobicContact CB-CE2 4.38Å; L252-F480 HydrophobicContact CB-CG 4.44Å; L252-F480 HydrophobicContact CB-CZ 4.16Å; L252-F480 HydrophobicContact CD1-CD2 4.37Å; L252-F480 HydrophobicContact CD1-CG 4.48Å; L252-F480 HydrophobicContact CD2-CB 4.01Å; L252-F480 HydrophobicContact CD2-CD1 3.96Å; L252-F480 HydrophobicContact CD2-CG 3.96Å; L252-F480 WeakPolarHBondContact O-CE1 3.26Å; L252-F480 VanDerWaalsContact O-CZ 3.23Å; L252-F480 WeakPolarHBondContact O-CZ 3.29Å; L252-F495 HydrophobicContact CD1-CE2 4.1Å; L252-F495 HydrophobicContact CD1-CZ 3.68Å
253	C	93.9	Very high	92.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.			trans	-120.3	98.4	-176.1	-64.5	0	0	0	0	110.3	D250 D255 T256 C286 S290	D250-C253 HydrophobicContact CB-CB 3.99Å; D250-C253 PolarHBondContact OD1-N 3.1Å; D250-C253 VanDerWaalsContact OD1-N 3.1Å; C253-D255 PolarHBondContact O-N 3.04Å; C253-T256 VanDerWaalsContact CB-CB 3.46Å; C253-T256 HydrophobicContact CB-CG2 4.33Å; C253-T256 WeakPolarHBondContact CB-OG1 3.45Å; C253-T256 PolarHBondContact O-N 3.35Å; C253-C286 HydrophobicContact CB-CB 4.47Å; C253-C286 VanDerWaalsContact SG-C 3.6Å; C253-S290 WeakPolarHBondContact CA-OG 3.42Å; C253-S290 PolarHBondContact SG-OG 3.11Å
254	P	92.5	Very high	92.5	Very high	93 Å²	93	27.9 Å²	27.9	60%	0.604	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.4	-171	-27.5	34.4	0	0	0	117.2	L221	L221-P254 WeakPolarHBondContact CD2-O 3.48Å
255	D	95.6	Very high	92.5	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.027	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	7.9	-179.7	70.8	-36.6	0	0	0	112.4	W213 V214 T216 C253 R293 H315	W213-D255 CarbonylContact C-O 3.37Å; W213-D255 WeakPolarHBondContact CA-O 3.14Å; V214-D255 PolarHBondContact N-O 2.98Å; T216-D255 HydrophobicContact CG2-CB 4.16Å; C253-D255 PolarHBondContact O-N 3.04Å; D255-R293 IonicContact OD1-CZ 2.62Å; D255-R293 IonicContact OD1-NH1 3.09Å; D255-R293 PolarHBondContact OD1-NH1 3.25Å; D255-R293 IonicContact OD1-NH2 3.09Å; D255-R293 PolarHBondContact OD1-NH2 3.09Å; D255-R293 IonicContact OD2-CZ 3.45Å; D255-R293 IonicContact OD2-NH1 2.7Å; D255-R293 IonicContact OD2-NH2 2.65Å; D255-R293 PolarHBondContact OD2-NH2 3.05Å; D255-H315 IonicContact OD1-NE2 2.63Å; D255-H315 IonicContact OD2-CD2 2.66Å; D255-H315 IonicContact OD2-CE1 3.98Å; D255-H315 IonicContact OD2-NE2 2.84Å; D255-H315 PolarHBondContact OD2-NE2 3.18Å
256	T	97.4	Very high	92.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.4	-172.3	-59.9	0	0	0	0	111	Y211 A212 D250 C253 C286	Y211-T256 HydrophobicContact CD1-CG2 4.16Å; A212-T256 WeakPolarHBondContact O-CA 3.23Å; D250-T256 HydrophobicContact CB-CG2 4.17Å; D250-T256 WeakPolarHBondContact CB-O 3.49Å; D250-T256 PolarHBondContact N-O 2.86Å; C253-T256 VanDerWaalsContact CB-CB 3.46Å; C253-T256 HydrophobicContact CB-CG2 4.33Å; C253-T256 WeakPolarHBondContact CB-OG1 3.45Å; C253-T256 PolarHBondContact O-N 3.35Å; T256-C286 HydrophobicContact CG2-CB 4.41Å
257	L	97.3	Very high	92.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.8	173.1	-62.1	177	0	0	0	110.2	Y211 A212 V214 L221 M224 L228 F247 S248 K249 F259	Y211-L257 WeakPolarHBondContact CA-O 3.27Å; A212-L257 PolarHBondContact N-O 3.49Å; A212-L257 PolarHBondContact O-N 3.34Å; V214-L257 HydrophobicContact CG2-CD1 4.14Å; V214-L257 HydrophobicContact CG2-CG 4.35Å; L221-L257 HydrophobicContact CD1-CD1 4.36Å; L221-L257 HydrophobicContact CD1-CD2 3.66Å; L221-L257 HydrophobicContact CD1-CG 3.79Å; L221-L257 HydrophobicContact CG-CD2 4.35Å; M224-L257 HydrophobicContact CG-CD1 3.89Å; L228-L257 HydrophobicContact CD1-CD1 3.53Å; F247-L257 HydrophobicContact CD2-CD1 4.48Å; F247-L257 HydrophobicContact CD2-CD2 4.22Å; F247-L257 HydrophobicContact CE2-CD2 4.41Å; S248-L257 CarbonylContact O-C 3.47Å; S248-L257 WeakPolarHBondContact O-CA 3.2Å; K249-L257 HydrophobicContact CG-CD2 3.91Å; L257-F259 HydrophobicContact CB-CD2 4.35Å; L257-F259 HydrophobicContact CB-CE2 3.48Å; L257-F259 VanDerWaalsContact CB-CE2 3.48Å; L257-F259 HydrophobicContact CB-CZ 3.72Å; L257-F259 HydrophobicContact CD1-CE2 4.44Å; L257-F259 HydrophobicContact CD1-CZ 3.9Å; L257-F259 HydrophobicContact CG-CZ 4.48Å
258	V	96.6	Very high	91.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.2	178.6	-164	0	0	0	0	108.4	P209 Y211 M239 L242 F247 S248 D250	P209-V258 HydrophobicContact CB-CG1 3.84Å; P209-V258 HydrophobicContact CG-CG1 4.02Å; Y211-V258 HydrophobicContact CD1-CB 4.3Å; Y211-V258 HydrophobicContact CD1-CG1 4.12Å; Y211-V258 HydrophobicContact CD1-CG2 3.69Å; Y211-V258 HydrophobicContact CE1-CB 4.13Å; Y211-V258 HydrophobicContact CE1-CG1 3.7Å; Y211-V258 HydrophobicContact CE1-CG2 3.43Å; Y211-V258 VanDerWaalsContact CE1-CG2 3.43Å; Y211-V258 HydrophobicContact CE2-CG1 4.45Å; M239-V258 HydrophobicContact CG-CG1 4.35Å; M239-V258 HydrophobicContact CG-CG2 4.48Å; M239-V258 HydrophobicContact SD-CG1 4.39Å; M239-V258 HydrophobicContact SD-CG2 4.43Å; L242-V258 HydrophobicContact CD1-CB 4.36Å; L242-V258 HydrophobicContact CD1-CG1 3.74Å; F247-V258 CarbonylContact C-O 3.6Å; F247-V258 VanDerWaalsContact CA-O 3.23Å; F247-V258 WeakPolarHBondContact CA-O 3.36Å; F247-V258 WeakPolarHBondContact CB-O 3.47Å; S248-V258 PolarHBondContact N-O 2.8Å; S248-V258 PolarHBondContact O-N 3.04Å; D250-V258 HydrophobicContact CB-CG2 4.05Å
259	F	95.1	Very high	91.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.9	-176.4	-62.8	-88.9	0	0	0	110.9	P209 F210 A212 L228 F247 L257 L263 L267 L278	P209-F259 WeakPolarHBondContact CA-O 3.19Å; P209-F259 WeakPolarHBondContact CB-O 3.25Å; F210-F259 HydrophobicContact CD1-CB 3.87Å; F210-F259 HydrophobicContact CD2-CB 4.17Å; F210-F259 HydrophobicContact CD2-CD2 4.22Å; F210-F259 HydrophobicContact CE1-CB 3.32Å; F210-F259 HydrophobicContact CE1-CG 4.31Å; F210-F259 HydrophobicContact CE2-CB 3.67Å; F210-F259 AromaticContact CE2-CD2 3.7Å; F210-F259 HydrophobicContact CE2-CD2 3.7Å; F210-F259 AromaticContact CE2-CG 3.85Å; F210-F259 HydrophobicContact CE2-CG 3.85Å; F210-F259 HydrophobicContact CG-CB 4.28Å; F210-F259 HydrophobicContact CZ-CB 3.23Å; F210-F259 HydrophobicContact CZ-CD2 4.08Å; F210-F259 AromaticContact CZ-CG 3.72Å; F210-F259 HydrophobicContact CZ-CG 3.72Å; F210-F259 PolarHBondContact N-O 2.82Å; F210-F259 PolarHBondContact O-N 2.77Å; A212-F259 HydrophobicContact CB-CD2 4.5Å; A212-F259 HydrophobicContact CB-CE2 4.04Å; L228-F259 HydrophobicContact CD1-CE1 3.8Å; L228-F259 HydrophobicContact CD1-CZ 3.82Å; L228-F259 HydrophobicContact CD2-CE1 4.15Å; F247-F259 HydrophobicContact CB-CD1 3.57Å; F247-F259 HydrophobicContact CB-CE1 3.63Å; F247-F259 HydrophobicContact CB-CG 4.38Å; F247-F259 HydrophobicContact CB-CZ 4.47Å; F247-F259 HydrophobicContact CG-CE1 4.23Å; L257-F259 HydrophobicContact CB-CD2 4.35Å; L257-F259 HydrophobicContact CB-CE2 3.48Å; L257-F259 VanDerWaalsContact CB-CE2 3.48Å; L257-F259 HydrophobicContact CB-CZ 3.72Å; L257-F259 HydrophobicContact CD1-CE2 4.44Å; L257-F259 HydrophobicContact CD1-CZ 3.9Å; L257-F259 HydrophobicContact CG-CZ 4.48Å; F259-L263 HydrophobicContact CD1-CD1 4.31Å; F259-L267 HydrophobicContact CD1-CD1 3.48Å; F259-L267 VanDerWaalsContact CD1-CD1 3.48Å; F259-L267 HydrophobicContact CD2-CD1 4.42Å; F259-L267 HydrophobicContact CE1-CD1 3.65Å; F259-L267 HydrophobicContact CG-CD1 3.9Å; F259-L267 HydrophobicContact CZ-CD1 4.2Å; F259-L278 HydrophobicContact CE2-CD2 4.17Å; F259-L278 HydrophobicContact CZ-CD2 3.96Å
260	S	91.2	Very high	91.2	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.063	19%	0.189	C	C	.	.			trans	-62.7	146.2	172.4	69.1	0	0	0	0	111.1	F210 T243 S262 L263	F210-S260 WeakPolarHBondContact CE1-O 3.32Å; T243-S260 WeakPolarHBondContact O-CB 3.34Å; T243-S260 PolarHBondContact O-OG 2.9Å; S260-S262 PolarHBondContact O-N 2.98Å; S260-S262 PolarHBondContact OG-OG 3.34Å; S260-L263 PolarHBondContact O-N 3.3Å
261	R	87.7	Confident	91	Very high	130 Å²	130	37 Å²	37	49%	0.491	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.8	-173.6	-171.3	177.6	-176.2	105.3	-11.2	114.2	A205 K206 L208 L263 C264	A205-R261 VanDerWaalsContact O-CZ 3.24Å; A205-R261 PolarHBondContact O-NH1 3.13Å; A205-R261 PolarHBondContact O-NH2 3.48Å; K206-R261 WeakPolarHBondContact O-CD 3.37Å; K206-R261 PolarHBondContact O-NE 3.36Å; L208-R261 PolarHBondContact O-NH1 2.88Å; R261-L263 PolarHBondContact O-N 3.27Å; R261-C264 WeakPolarHBondContact O-CB 3.22Å; R261-C264 PolarHBondContact O-N 3.31Å; R261-C264 VanDerWaalsContact O-N 3.15Å
262	S	86.9	Confident	91	Very high	22 Å²	22	32.8 Å²	32.8	15%	0.154	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-61.7	-27.3	179.3	48.2	0	0	0	0	113.3	C244 S260 C264	C244-S262 WeakPolarHBondContact CA-OG 3.34Å; C244-S262 WeakPolarHBondContact CB-OG 3.37Å; C244-S262 PolarHBondContact O-OG 2.98Å; S260-S262 PolarHBondContact O-N 2.98Å; S260-S262 PolarHBondContact OG-OG 3.34Å; S262-C264 VanDerWaalsContact C-N 3.29Å; S262-C264 PolarHBondContact O-N 3.49Å
263	L	88.8	Confident	91.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-81.9	-6.9	179.9	-62.8	172.9	0	0	0	113.3	F210 L233 C244 F259 S260 R261 K265 P266 L267	F210-L263 HydrophobicContact CE1-CB 4.04Å; F210-L263 HydrophobicContact CZ-CB 4.13Å; L233-L263 HydrophobicContact CD1-CD1 4.33Å; L233-L263 HydrophobicContact CD2-CD1 3.74Å; L233-L263 HydrophobicContact CD2-CD2 3.82Å; L233-L263 HydrophobicContact CD2-CG 4.45Å; C244-L263 VanDerWaalsContact O-CD2 3.28Å; C244-L263 WeakPolarHBondContact O-CD2 3.12Å; C244-L263 VanDerWaalsContact O-CG 3.31Å; C244-L263 WeakPolarHBondContact O-CG 3.23Å; F259-L263 HydrophobicContact CD1-CD1 4.31Å; S260-L263 PolarHBondContact O-N 3.3Å; R261-L263 PolarHBondContact O-N 3.27Å; L263-K265 PolarHBondContact O-N 2.94Å; L263-P266 WeakPolarHBondContact O-CD 3.26Å; L263-L267 HydrophobicContact CB-CD1 4.08Å; L263-L267 VanDerWaalsContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CB 3.04Å; L263-L267 PolarHBondContact O-N 2.96Å
264	C	87.8	Confident	90.9	Very high	30 Å²	30	37 Å²	37	20%	0.203	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-49.1	-171.6	-174	0	0	0	0	112.2	F210 R261 S262 Q268	F210-C264 HydrophobicContact CD1-CB 3.61Å; F210-C264 HydrophobicContact CE1-CB 3.56Å; F210-C264 HydrophobicContact CG-CB 4.29Å; F210-C264 VanDerWaalsContact CZ-CA 3.5Å; F210-C264 HydrophobicContact CZ-CB 4.21Å; R261-C264 WeakPolarHBondContact O-CB 3.22Å; R261-C264 PolarHBondContact O-N 3.31Å; R261-C264 VanDerWaalsContact O-N 3.15Å; S262-C264 VanDerWaalsContact C-N 3.29Å; S262-C264 PolarHBondContact O-N 3.49Å; C264-Q268 VanDerWaalsContact O-CB 3.29Å; C264-Q268 WeakPolarHBondContact O-CB 3.49Å; C264-Q268 WeakPolarHBondContact O-CG 3.42Å; C264-Q268 PolarHBondContact O-N 3.48Å; C264-Q268 PolarHBondContact SG-NE2 3.15Å
265	K	85.9	Confident	90.8	Very high	103 Å²	103	35.3 Å²	35.3	45%	0.448	19%	0.19	S	C	.	.	H	α-helix	trans	-67.6	-52.1	179	-69.1	-176.2	179.4	-173.1	0	112.6	S41 L263 L267 Q268 S269	S41-K265 PolarHBondContact O-NZ 3.31Å; L263-K265 PolarHBondContact O-N 2.94Å; K265-L267 VanDerWaalsContact C-N 3.3Å; K265-L267 PolarHBondContact O-N 3.32Å; K265-Q268 PolarHBondContact O-N 2.85Å; K265-S269 PolarHBondContact O-N 2.88Å; K265-S269 PolarHBondContact O-OG 3.37Å; K265-S269 VanDerWaalsContact O-OG 3.14Å
266	P	87.7	Confident	90.8	Very high	17 Å²	17	38.4 Å²	38.4	11%	0.11	20%	0.201	C	C	.	.	H	α-helix	trans	-53.9	-44.4	176.6	-27.1	33.6	0	0	0	113.4	L34 H35 V37 L263 S269 S270	L34-P266 HydrophobicContact CD2-CB 3.8Å; H35-P266 WeakPolarHBondContact O-CG 3.38Å; V37-P266 HydrophobicContact CG2-CG 4.3Å; L263-P266 WeakPolarHBondContact O-CD 3.26Å; P266-S269 PolarHBondContact O-N 3.11Å; P266-S269 PolarHBondContact O-OG 2.68Å; P266-S270 PolarHBondContact O-N 3.41Å
267	L	88.2	Confident	90.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.4	-36	179.9	-83.2	169.6	0	0	0	112.8	L34 F210 F259 L263 K265 S269 S270 L272 T273 L278	L34-L267 HydrophobicContact CD1-CD2 3.8Å; L34-L267 HydrophobicContact CD1-CG 4.25Å; L34-L267 HydrophobicContact CD2-CD2 4.23Å; L34-L267 HydrophobicContact CD2-CG 4.32Å; F210-L267 HydrophobicContact CE2-CB 4.48Å; F210-L267 HydrophobicContact CE2-CD1 4.14Å; F210-L267 HydrophobicContact CZ-CB 4.22Å; F210-L267 HydrophobicContact CZ-CD1 3.68Å; F259-L267 HydrophobicContact CD1-CD1 3.48Å; F259-L267 VanDerWaalsContact CD1-CD1 3.48Å; F259-L267 HydrophobicContact CD2-CD1 4.42Å; F259-L267 HydrophobicContact CE1-CD1 3.65Å; F259-L267 HydrophobicContact CG-CD1 3.9Å; F259-L267 HydrophobicContact CZ-CD1 4.2Å; L263-L267 HydrophobicContact CB-CD1 4.08Å; L263-L267 VanDerWaalsContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CB 3.04Å; L263-L267 PolarHBondContact O-N 2.96Å; K265-L267 VanDerWaalsContact C-N 3.3Å; K265-L267 PolarHBondContact O-N 3.32Å; L267-S269 VanDerWaalsContact C-N 3.28Å; L267-S269 PolarHBondContact O-N 2.69Å; L267-S270 WeakPolarHBondContact O-CB 3.44Å; L267-S270 PolarHBondContact O-N 3.46Å; L267-S270 VanDerWaalsContact O-N 3.09Å; L267-S270 PolarHBondContact O-OG 3.4Å; L267-L272 HydrophobicContact CD2-CD1 4.32Å; L267-T273 WeakPolarHBondContact O-CB 3.36Å; L267-T273 PolarHBondContact O-OG1 3.09Å; L267-L278 HydrophobicContact CD2-CD2 4.2Å
268	Q	87.8	Confident	90.6	Very high	93 Å²	93	38.6 Å²	38.6	44%	0.435	20%	0.202	S	C	.	.	H	α-helix	trans	-58.8	-39	174.8	-82.7	172.5	-2.1	0	0	112.6	C264 K265 S270 I280	C264-Q268 VanDerWaalsContact O-CB 3.29Å; C264-Q268 WeakPolarHBondContact O-CB 3.49Å; C264-Q268 WeakPolarHBondContact O-CG 3.42Å; C264-Q268 PolarHBondContact O-N 3.48Å; C264-Q268 PolarHBondContact SG-NE2 3.15Å; K265-Q268 PolarHBondContact O-N 2.85Å; Q268-S270 VanDerWaalsContact C-N 3.33Å; Q268-I280 HydrophobicContact CB-CD1 4.45Å; Q268-I280 HydrophobicContact CG-CD1 3.41Å; Q268-I280 VanDerWaalsContact CG-CD1 3.41Å
269	S	86.9	Confident	90.6	Very high	94 Å²	94	38.7 Å²	38.7	66%	0.657	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.7	176.8	51.4	0	0	0	0	114.3	K265 P266 L267	K265-S269 PolarHBondContact O-N 2.88Å; K265-S269 PolarHBondContact O-OG 3.37Å; K265-S269 VanDerWaalsContact O-OG 3.14Å; P266-S269 PolarHBondContact O-N 3.11Å; P266-S269 PolarHBondContact O-OG 2.68Å; L267-S269 VanDerWaalsContact C-N 3.28Å; L267-S269 PolarHBondContact O-N 2.69Å
270	S	90.3	Very high	90.6	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.063	21%	0.214	C	C	.	.	S	Bend	trans	-73.9	160.3	-174.6	74.6	0	0	0	0	112.8	P266 L267 Q268 L272 T273 T274	P266-S270 PolarHBondContact O-N 3.41Å; L267-S270 WeakPolarHBondContact O-CB 3.44Å; L267-S270 PolarHBondContact O-N 3.46Å; L267-S270 VanDerWaalsContact O-N 3.09Å; L267-S270 PolarHBondContact O-OG 3.4Å; Q268-S270 VanDerWaalsContact C-N 3.33Å; S270-L272 PolarHBondContact O-N 2.99Å; S270-L272 PolarHBondContact OG-N 3.36Å; S270-T273 PolarHBondContact O-N 3.47Å; S270-T274 PolarHBondContact O-N 3.13Å; S270-T274 VanDerWaalsContact O-N 3.1Å; S270-T274 PolarHBondContact O-OG1 3.25Å
271	I	90.6	Very high	90.8	Very high	67 Å²	67	40.8 Å²	40.8	34%	0.344	21%	0.213	S	C	.	.	H	α-helix	trans	-58.6	-33.5	173.4	-167.8	64.3	0	0	0	111.9	L28 L31 T273 T274 T275	L28-I271 HydrophobicContact CD2-CG1 4.02Å; L31-I271 HydrophobicContact CD2-CG2 3.93Å; L31-I271 HydrophobicContact CG-CG2 4.5Å; I271-T273 VanDerWaalsContact C-N 3.33Å; I271-T273 PolarHBondContact O-N 3.32Å; I271-T274 VanDerWaalsContact CA-OG1 3.29Å; I271-T274 WeakPolarHBondContact CA-OG1 3.36Å; I271-T274 PolarHBondContact O-N 2.99Å; I271-T274 PolarHBondContact O-OG1 2.95Å; I271-T275 HydrophobicContact CD1-CG2 3.56Å; I271-T275 HydrophobicContact CG1-CG2 3.81Å; I271-T275 VanDerWaalsContact O-CB 3.29Å; I271-T275 WeakPolarHBondContact O-CB 3.38Å; I271-T275 VanDerWaalsContact O-CG2 3.3Å; I271-T275 WeakPolarHBondContact O-CG2 3.42Å; I271-T275 PolarHBondContact O-N 3.42Å; I271-T275 PolarHBondContact O-OG1 3.25Å
272	L	92.6	Very high	91.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-40.9	179.9	-61.2	170.6	0	0	0	112.2	L31 M224 I227 L228 L267 S270 R276 V277 L278	L31-L272 HydrophobicContact CD1-CD1 3.74Å; L31-L272 HydrophobicContact CD1-CD2 4.45Å; L31-L272 HydrophobicContact CD1-CG 4.15Å; L31-L272 HydrophobicContact CD2-CD1 4.06Å; L31-L272 HydrophobicContact CD2-CG 4.02Å; M224-L272 HydrophobicContact CE-CD1 3.35Å; M224-L272 HydrophobicContact CE-CD2 3.79Å; M224-L272 HydrophobicContact CE-CG 4.17Å; M224-L272 HydrophobicContact SD-CD1 4.39Å; M224-L272 HydrophobicContact SD-CD2 4.22Å; I227-L272 HydrophobicContact CG2-CD2 4.42Å; L228-L272 HydrophobicContact CD2-CD1 4.26Å; L267-L272 HydrophobicContact CD2-CD1 4.32Å; S270-L272 PolarHBondContact O-N 2.99Å; S270-L272 PolarHBondContact OG-N 3.36Å; L272-R276 PolarHBondContact O-N 2.73Å; L272-V277 HydrophobicContact CD2-CG1 4.46Å; L272-V277 PolarHBondContact O-N 2.99Å; L272-L278 HydrophobicContact CB-CB 3.88Å; L272-L278 HydrophobicContact CD1-CD2 4.42Å; L272-L278 PolarHBondContact O-N 2.75Å
273	T	92	Very high	91.6	Very high	25 Å²	25	35.1 Å²	35.1	15%	0.153	19%	0.19	C	C	.	.	H	α-helix	trans	-79.6	-41.6	-179.5	-55.5	0	0	0	0	111.5	L267 S270 I271 T275 R276 L278	L267-T273 WeakPolarHBondContact O-CB 3.36Å; L267-T273 PolarHBondContact O-OG1 3.09Å; S270-T273 PolarHBondContact O-N 3.47Å; I271-T273 VanDerWaalsContact C-N 3.33Å; I271-T273 PolarHBondContact O-N 3.32Å; T273-T275 PolarHBondContact O-N 2.6Å; T273-R276 PolarHBondContact O-N 3.21Å; T273-R276 VanDerWaalsContact O-N 3.11Å; T273-L278 WeakPolarHBondContact CA-O 3.36Å
274	T	90.4	Very high	91.8	Very high	79 Å²	79	35.4 Å²	35.4	49%	0.485	19%	0.192	S	C	.	.	H	α-helix	trans	-67.9	-34.8	179.4	36.6	0	0	0	0	112.8	S270 I271 R276 Q348	S270-T274 PolarHBondContact O-N 3.13Å; S270-T274 VanDerWaalsContact O-N 3.1Å; S270-T274 PolarHBondContact O-OG1 3.25Å; I271-T274 VanDerWaalsContact CA-OG1 3.29Å; I271-T274 WeakPolarHBondContact CA-OG1 3.36Å; I271-T274 PolarHBondContact O-N 2.99Å; I271-T274 PolarHBondContact O-OG1 2.95Å; T274-R276 VanDerWaalsContact C-N 3.27Å; T274-R276 PolarHBondContact O-N 3.42Å; T274-Q348 PolarHBondContact O-NE2 2.89Å
275	T	91.3	Very high	92	Very high	57 Å²	57	34.1 Å²	34.1	35%	0.35	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.8	172.4	60.8	0	0	0	0	113.8	I271 T273 V277	I271-T275 HydrophobicContact CD1-CG2 3.56Å; I271-T275 HydrophobicContact CG1-CG2 3.81Å; I271-T275 VanDerWaalsContact O-CB 3.29Å; I271-T275 WeakPolarHBondContact O-CB 3.38Å; I271-T275 VanDerWaalsContact O-CG2 3.3Å; I271-T275 WeakPolarHBondContact O-CG2 3.42Å; I271-T275 PolarHBondContact O-N 3.42Å; I271-T275 PolarHBondContact O-OG1 3.25Å; T273-T275 PolarHBondContact O-N 2.6Å; T275-V277 PolarHBondContact O-N 3.47Å; T275-V277 WeakPolarHBondContact OG1-CG2 3.44Å
276	R	94.9	Very high	92.5	Very high	70 Å²	70	29.2 Å²	29.2	26%	0.264	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	24.1	178.8	-54.3	-65.7	-169.3	150.4	-2.9	114.9	N215 L272 T273 T274 N279 L345 Q348 M349	N215-R276 WeakPolarHBondContact CB-O 3.33Å; L272-R276 PolarHBondContact O-N 2.73Å; T273-R276 PolarHBondContact O-N 3.21Å; T273-R276 VanDerWaalsContact O-N 3.11Å; T274-R276 VanDerWaalsContact C-N 3.27Å; T274-R276 PolarHBondContact O-N 3.42Å; R276-N279 WeakPolarHBondContact CD-OD1 3.45Å; R276-N279 PolarHBondContact O-ND2 3.09Å; R276-L345 HydrophobicContact CG-CD1 4.39Å; R276-Q348 HydrophobicContact CG-CG 4.46Å; R276-M349 HydrophobicContact CB-CE 4.03Å; R276-M349 HydrophobicContact CB-CG 3.69Å; R276-M349 HydrophobicContact CB-SD 4.17Å; R276-M349 HydrophobicContact CG-CG 3.88Å; R276-M349 HydrophobicContact CG-SD 4.42Å
277	V	94.8	Very high	92.8	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	16%	0.156	C	C	.	.	S	Bend	trans	-72.7	-41.2	169.5	176.5	0	0	0	0	110	L25 N215 N218 T219 M224 L272 T275	L25-V277 HydrophobicContact CD2-CG2 4.19Å; N215-V277 PolarHBondContact N-O 3.09Å; N218-V277 HydrophobicContact CB-CG2 4.48Å; T219-V277 HydrophobicContact CG2-CG1 3.64Å; M224-V277 HydrophobicContact SD-CG1 4.3Å; L272-V277 HydrophobicContact CD2-CG1 4.46Å; L272-V277 PolarHBondContact O-N 2.99Å; T275-V277 PolarHBondContact O-N 3.47Å; T275-V277 WeakPolarHBondContact OG1-CG2 3.44Å
278	L	96	Very high	93	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.9	175.7	-171.5	68.2	0	0	0	109.8	A212 V214 F259 L267 L272 T273	A212-L278 HydrophobicContact CB-CD1 3.67Å; A212-L278 HydrophobicContact CB-CD2 4.27Å; A212-L278 HydrophobicContact CB-CG 3.71Å; V214-L278 HydrophobicContact CG2-CD1 3.95Å; F259-L278 HydrophobicContact CE2-CD2 4.17Å; F259-L278 HydrophobicContact CZ-CD2 3.96Å; L267-L278 HydrophobicContact CD2-CD2 4.2Å; L272-L278 HydrophobicContact CB-CB 3.88Å; L272-L278 HydrophobicContact CD1-CD2 4.42Å; L272-L278 PolarHBondContact O-N 2.75Å; T273-L278 WeakPolarHBondContact CA-O 3.36Å
279	N	96.7	Very high	93.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	106.3	-169.7	-68.9	-74.1	0	0	0	111.2	A212 W213 R276 Q281 L311	A212-N279 CarbonylContact C-O 3.5Å; A212-N279 WeakPolarHBondContact CA-O 3.39Å; A212-N279 WeakPolarHBondContact CB-O 3.46Å; W213-N279 HydrophobicContact CD2-CB 3.74Å; W213-N279 HydrophobicContact CE3-CB 4.33Å; W213-N279 HydrophobicContact CG-CB 4.17Å; W213-N279 HydrophobicContact CH2-CB 4.27Å; W213-N279 HydrophobicContact CZ2-CB 3.65Å; W213-N279 PolarHBondContact N-O 2.99Å; W213-N279 PolarHBondContact O-N 2.69Å; R276-N279 WeakPolarHBondContact CD-OD1 3.45Å; R276-N279 PolarHBondContact O-ND2 3.09Å; N279-Q281 PolarHBondContact O-N 2.81Å; N279-L311 HydrophobicContact CB-CD1 3.95Å; N279-L311 HydrophobicContact CB-CD2 4.28Å; N279-L311 HydrophobicContact CB-CG 4.48Å
280	I	95.3	Very high	93.7	Very high	44 Å²	44	20 Å²	20	23%	0.226	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	121.1	179.9	-62.9	169.2	0	0	0	109.7	F210 Y211 A212 Q268	F210-I280 HydrophobicContact CD2-CD1 4.15Å; F210-I280 HydrophobicContact CD2-CG1 4.05Å; F210-I280 HydrophobicContact CD2-CG2 4.14Å; F210-I280 HydrophobicContact CE2-CD1 3.98Å; F210-I280 HydrophobicContact CE2-CG1 4.09Å; Y211-I280 WeakPolarHBondContact O-CA 3.33Å; A212-I280 HydrophobicContact CB-CG1 4.02Å; Q268-I280 HydrophobicContact CB-CD1 4.45Å; Q268-I280 HydrophobicContact CG-CD1 3.41Å; Q268-I280 VanDerWaalsContact CG-CD1 3.41Å
281	Q	95.4	Very high	93.7	Very high	10 Å²	10	19.8 Å²	19.8	5%	0.047	11%	0.106	C	C	.	.			trans	-150.5	150.4	-178.8	-166.9	163.7	43.3	0	0	110.5	Y211 N279 R283 V285 L311 T312 H315 E398	Y211-Q281 CarbonylContact C-O 3.59Å; Y211-Q281 WeakPolarHBondContact CB-O 3.38Å; Y211-Q281 PolarHBondContact O-N 3.26Å; Y211-Q281 VanDerWaalsContact O-O 3.07Å; N279-Q281 PolarHBondContact O-N 2.81Å; Q281-R283 PolarHBondContact O-N 3.47Å; Q281-V285 HydrophobicContact CG-CB 4.04Å; Q281-V285 HydrophobicContact CG-CG1 4.19Å; Q281-L311 HydrophobicContact CB-CD2 4.19Å; Q281-L311 HydrophobicContact CG-CD2 4.47Å; Q281-T312 PolarHBondContact NE2-OG1 3.24Å; Q281-H315 PolarHBondContact OE1-ND1 3.2Å; Q281-E398 PolarHBondContact NE2-OE1 3.02Å
282	D	94.8	Very high	93.8	Very high	23 Å²	23	16.6 Å²	16.6	12%	0.123	9%	0.09	C	C	.	.			trans	-62	136.5	177.5	-173.2	-86.7	0	0	0	111.5	S284 V285 C286 T394 N504	D282-S284 PolarHBondContact O-N 3.31Å; D282-S284 VanDerWaalsContact O-N 3.16Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 3.33Å; D282-S284 PolarHBondContact OD1-OG 3.23Å; D282-V285 HydrophobicContact CB-CG2 4.46Å; D282-V285 WeakPolarHBondContact O-CB 3.31Å; D282-V285 PolarHBondContact O-N 3.14Å; D282-C286 PolarHBondContact O-N 3.2Å; D282-T394 HydrophobicContact CB-CG2 4.02Å; D282-N504 PolarHBondContact OD2-ND2 2.69Å
283	R	95.3	Very high	93.7	Very high	9 Å²	9	18.9 Å²	18.9	3%	0.034	10%	0.098	C	C	.	.	H	α-helix	trans	-54.5	-37	-178	-163.5	-163.4	-171.6	-143.5	-5.1	112.8	Y211 D250 Q281 V285 C286 L287 T503	Y211-R283 HydrophobicContact CD1-CB 3.81Å; Y211-R283 HydrophobicContact CD1-CG 3.65Å; Y211-R283 HydrophobicContact CD2-CB 3.71Å; Y211-R283 HydrophobicContact CD2-CG 4.42Å; Y211-R283 HydrophobicContact CE1-CB 3.91Å; Y211-R283 VanDerWaalsContact CE1-CD 3.45Å; Y211-R283 HydrophobicContact CE1-CG 3.54Å; Y211-R283 HydrophobicContact CE2-CB 3.8Å; Y211-R283 HydrophobicContact CE2-CG 4.33Å; Y211-R283 HydrophobicContact CG-CB 3.71Å; Y211-R283 HydrophobicContact CG-CG 4.1Å; D250-R283 IonicContact OD1-CZ 3.52Å; D250-R283 IonicContact OD1-NE 3.27Å; D250-R283 IonicContact OD1-NH2 2.79Å; D250-R283 PolarHBondContact OD1-NH2 2.88Å; D250-R283 IonicContact OD2-CZ 2.75Å; D250-R283 IonicContact OD2-NE 3.35Å; D250-R283 PolarHBondContact OD2-NE 3.41Å; D250-R283 IonicContact OD2-NH2 2.78Å; D250-R283 PolarHBondContact OD2-NH2 3.05Å; Q281-R283 PolarHBondContact O-N 3.47Å; R283-V285 PolarHBondContact O-N 3.18Å; R283-C286 PolarHBondContact O-N 3.47Å; R283-C286 VanDerWaalsContact O-N 3.13Å; R283-L287 HydrophobicContact CG-CD1 4.11Å; R283-L287 HydrophobicContact CG-CG 4.34Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.26Å; R283-T503 WeakPolarHBondContact CD-OG1 3.21Å
284	S	92.6	Very high	93.7	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-32.8	179.8	64.4	0	0	0	0	112.5	D282 A288	D282-S284 PolarHBondContact O-N 3.31Å; D282-S284 VanDerWaalsContact O-N 3.16Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 3.33Å; D282-S284 PolarHBondContact OD1-OG 3.23Å; S284-A288 PolarHBondContact O-N 2.88Å
285	V	92.7	Very high	93.8	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-77.6	-44	177.1	-176.2	0	0	0	0	110.4	Q281 D282 R283 L287 A288 V289 T312 E398	Q281-V285 HydrophobicContact CG-CB 4.04Å; Q281-V285 HydrophobicContact CG-CG1 4.19Å; D282-V285 HydrophobicContact CB-CG2 4.46Å; D282-V285 WeakPolarHBondContact O-CB 3.31Å; D282-V285 PolarHBondContact O-N 3.14Å; R283-V285 PolarHBondContact O-N 3.18Å; V285-L287 PolarHBondContact O-N 2.75Å; V285-A288 WeakPolarHBondContact O-CB 3.27Å; V285-A288 PolarHBondContact O-N 2.96Å; V285-A288 VanDerWaalsContact O-N 3.09Å; V285-V289 PolarHBondContact O-N 3.23Å; V285-T312 HydrophobicContact CG1-CG2 3.79Å; V285-T312 WeakPolarHBondContact CG1-OG1 3.38Å; V285-E398 HydrophobicContact CG2-CG 4.03Å
286	C	96	Very high	93.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58	-36.2	174.4	-60.9	0	0	0	0	112.3	C253 T256 D282 R283 V289 S290	C253-C286 HydrophobicContact CB-CB 4.47Å; C253-C286 VanDerWaalsContact SG-C 3.6Å; T256-C286 HydrophobicContact CG2-CB 4.41Å; D282-C286 PolarHBondContact O-N 3.2Å; R283-C286 PolarHBondContact O-N 3.47Å; R283-C286 VanDerWaalsContact O-N 3.13Å; C286-V289 PolarHBondContact O-N 3.05Å; C286-S290 WeakPolarHBondContact O-CB 3.31Å; C286-S290 PolarHBondContact O-N 3.36Å; C286-S290 PolarHBondContact O-OG 3.28Å
287	L	95.1	Very high	93.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.1	-43.3	175.1	-73.9	163.8	0	0	0	111.8	L252 R283 V285 V289 S290 V291 F480 F495 L497 I508	L252-L287 HydrophobicContact CB-CD2 3.53Å; L252-L287 HydrophobicContact CD1-CD2 3.81Å; L252-L287 HydrophobicContact CG-CD2 4.33Å; R283-L287 HydrophobicContact CG-CD1 4.11Å; R283-L287 HydrophobicContact CG-CG 4.34Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.26Å; V285-L287 PolarHBondContact O-N 2.75Å; L287-V289 VanDerWaalsContact C-N 3.26Å; L287-V289 PolarHBondContact O-N 3.43Å; L287-S290 PolarHBondContact O-N 3.12Å; L287-V291 VanDerWaalsContact O-CG2 3.31Å; L287-V291 WeakPolarHBondContact O-CG2 3.18Å; L287-V291 PolarHBondContact O-N 2.86Å; L287-F480 HydrophobicContact CD2-CD2 4.39Å; L287-F480 HydrophobicContact CD2-CE2 3.63Å; L287-F480 HydrophobicContact CD2-CZ 4.02Å; L287-F495 HydrophobicContact CD1-CE1 4.34Å; L287-L497 HydrophobicContact CD1-CD2 3.55Å; L287-I508 HydrophobicContact CB-CD1 3.87Å
288	A	92.8	Very high	93.8	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-40.8	176	0	0	0	0	0	111.9	S284 V285 S292 L380 C444	S284-A288 PolarHBondContact O-N 2.88Å; V285-A288 WeakPolarHBondContact O-CB 3.27Å; V285-A288 PolarHBondContact O-N 2.96Å; V285-A288 VanDerWaalsContact O-N 3.09Å; A288-S292 PolarHBondContact O-N 2.98Å; A288-L380 HydrophobicContact CB-CD2 3.93Å; A288-C444 HydrophobicContact CB-CB 4.18Å; A288-C444 VanDerWaalsContact CB-SG 3.54Å
289	V	94.2	Very high	93.7	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-69.5	-44.5	175.2	-174.1	0	0	0	0	111.3	V285 C286 L287 V291 S292 R293 H315 V316 A319	V285-V289 PolarHBondContact O-N 3.23Å; C286-V289 PolarHBondContact O-N 3.05Å; L287-V289 VanDerWaalsContact C-N 3.26Å; L287-V289 PolarHBondContact O-N 3.43Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 PolarHBondContact O-N 3.38Å; V289-S292 WeakPolarHBondContact O-CA 3.37Å; V289-S292 WeakPolarHBondContact O-CB 3.47Å; V289-S292 PolarHBondContact O-N 3.42Å; V289-S292 PolarHBondContact O-OG 3.42Å; V289-R293 PolarHBondContact O-N 2.9Å; V289-H315 HydrophobicContact CG2-CB 4.22Å; V289-V316 HydrophobicContact CB-CG2 4.49Å; V289-V316 HydrophobicContact CG1-CG2 4.26Å; V289-V316 HydrophobicContact CG2-CG2 3.65Å; V289-A319 HydrophobicContact CG1-CB 3.88Å
290	S	93.8	Very high	93.7	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-38	-178.2	-64.7	0	0	0	0	112.8	C253 C286 L287 S292 R293 P294	C253-S290 WeakPolarHBondContact CA-OG 3.42Å; C253-S290 PolarHBondContact SG-OG 3.11Å; C286-S290 WeakPolarHBondContact O-CB 3.31Å; C286-S290 PolarHBondContact O-N 3.36Å; C286-S290 PolarHBondContact O-OG 3.28Å; L287-S290 PolarHBondContact O-N 3.12Å; S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 PolarHBondContact O-N 2.84Å; S290-R293 PolarHBondContact O-N 3.11Å; S290-R293 PolarHBondContact OG-NH1 2.84Å; S290-P294 WeakPolarHBondContact O-CD 3.32Å
291	V	91.4	Very high	93.8	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.024	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-31.6	172	171.5	0	0	0	0	111.6	L287 V289 V442 I479 F480 I508	L287-V291 VanDerWaalsContact O-CG2 3.31Å; L287-V291 WeakPolarHBondContact O-CG2 3.18Å; L287-V291 PolarHBondContact O-N 2.86Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 PolarHBondContact O-N 3.38Å; V291-V442 HydrophobicContact CG1-CG1 3.99Å; V291-V442 HydrophobicContact CG1-CG2 4.28Å; V291-I479 HydrophobicContact CB-CD1 4.33Å; V291-I479 HydrophobicContact CG1-CD1 3.55Å; V291-I479 HydrophobicContact CG1-CG1 4.22Å; V291-I479 WeakPolarHBondContact O-CD1 3.46Å; V291-F480 HydrophobicContact CG2-CD2 3.99Å; V291-F480 HydrophobicContact CG2-CE2 3.23Å; V291-F480 HydrophobicContact CG2-CZ 3.66Å; V291-I508 HydrophobicContact CB-CG2 4.46Å; V291-I508 HydrophobicContact CG1-CG2 4.02Å; V291-I508 HydrophobicContact CG2-CD1 4.02Å; V291-I508 HydrophobicContact CG2-CG2 4.22Å
292	S	91.2	Very high	94	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-74	-29.3	179.4	77.8	0	0	0	0	113.3	A288 V289 S290 V295 L296	A288-S292 PolarHBondContact O-N 2.98Å; V289-S292 WeakPolarHBondContact O-CA 3.37Å; V289-S292 WeakPolarHBondContact O-CB 3.47Å; V289-S292 PolarHBondContact O-N 3.42Å; V289-S292 PolarHBondContact O-OG 3.42Å; S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 PolarHBondContact O-N 2.84Å; S292-V295 WeakPolarHBondContact O-CG2 3.36Å; S292-V295 PolarHBondContact O-N 3.07Å; S292-V295 VanDerWaalsContact O-N 3.1Å; S292-L296 WeakPolarHBondContact O-CD2 3.4Å; S292-L296 VanDerWaalsContact O-CG 3.26Å; S292-L296 WeakPolarHBondContact O-CG 3.44Å; S292-L296 PolarHBondContact O-N 3.01Å
293	R	92.1	Very high	94.1	Very high	51 Å²	51	26.3 Å²	26.3	19%	0.192	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-51.7	-54.4	-173.7	-73.9	-179.6	170.5	131.4	6.6	115.2	D255 V289 S290 V295 L296 H315 A319	D255-R293 IonicContact OD1-CZ 2.62Å; D255-R293 IonicContact OD1-NH1 3.09Å; D255-R293 PolarHBondContact OD1-NH1 3.25Å; D255-R293 IonicContact OD1-NH2 3.09Å; D255-R293 PolarHBondContact OD1-NH2 3.09Å; D255-R293 IonicContact OD2-CZ 3.45Å; D255-R293 IonicContact OD2-NH1 2.7Å; D255-R293 IonicContact OD2-NH2 2.65Å; D255-R293 PolarHBondContact OD2-NH2 3.05Å; V289-R293 PolarHBondContact O-N 2.9Å; S290-R293 PolarHBondContact O-N 3.11Å; S290-R293 PolarHBondContact OG-NH1 2.84Å; R293-V295 PolarHBondContact O-N 3.47Å; R293-L296 PolarHBondContact O-N 3.26Å; R293-H315 PolarHBondContact NH2-NE2 3.17Å; R293-A319 HydrophobicContact CG-CB 4.1Å
294	P	91.3	Very high	94.3	Very high	85 Å²	85	25.9 Å²	25.9	55%	0.552	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-71.9	-12.4	-176.8	28.2	-34.9	0	0	0	113.5	S290 I479	S290-P294 WeakPolarHBondContact O-CD 3.32Å; P294-I479 HydrophobicContact CG-CD1 3.96Å; P294-I479 HydrophobicContact CG-CG2 3.68Å
295	V	91.4	Very high	94.5	Very high	19 Å²	19	25.6 Å²	25.6	12%	0.115	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-102.4	2.7	178.3	-60.2	0	0	0	0	113	S292 R293 F297 V376 T440 I479	S292-V295 WeakPolarHBondContact O-CG2 3.36Å; S292-V295 PolarHBondContact O-N 3.07Å; S292-V295 VanDerWaalsContact O-N 3.1Å; R293-V295 PolarHBondContact O-N 3.47Å; V295-F297 VanDerWaalsContact O-CD2 3.25Å; V295-F297 WeakPolarHBondContact O-CD2 3.34Å; V295-F297 VanDerWaalsContact O-CE2 3.25Å; V295-F297 WeakPolarHBondContact O-CE2 3.37Å; V295-V376 VanDerWaalsContact O-CG2 3.31Å; V295-V376 WeakPolarHBondContact O-CG2 3.15Å; V295-T440 HydrophobicContact CB-CG2 4.11Å; V295-T440 HydrophobicContact CG1-CG2 4.28Å; V295-T440 HydrophobicContact CG2-CG2 3.9Å; V295-I479 HydrophobicContact CG1-CD1 4.19Å
296	L	93.8	Very high	94.7	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.073	14%	0.137	C	C	.	.			trans	-70.7	142.9	172.5	-59.4	-170.6	0	0	0	110.3	S292 R293 V302 A319 A320 R323 V376	S292-L296 WeakPolarHBondContact O-CD2 3.4Å; S292-L296 VanDerWaalsContact O-CG 3.26Å; S292-L296 WeakPolarHBondContact O-CG 3.44Å; S292-L296 PolarHBondContact O-N 3.01Å; R293-L296 PolarHBondContact O-N 3.26Å; L296-V302 HydrophobicContact CD2-CG2 3.45Å; L296-V302 VanDerWaalsContact CD2-CG2 3.45Å; L296-A319 HydrophobicContact CD1-CB 4.36Å; L296-A320 HydrophobicContact CD1-CB 4.49Å; L296-R323 VanDerWaalsContact C-CD 3.48Å; L296-R323 HydrophobicContact CB-CG 3.96Å; L296-R323 WeakPolarHBondContact O-CD 3.22Å; L296-V376 HydrophobicContact CD2-CB 4.49Å; L296-V376 HydrophobicContact CD2-CG2 4.24Å
297	F	93.1	Very high	94.6	Very high	82 Å²	82	26.8 Å²	26.8	36%	0.36	14%	0.141	S	C	.	.			trans	-104.5	148.1	179.9	-68.8	-101.4	0	0	0	110.7	V295 K299 G300 K375 V376 Q439	V295-F297 VanDerWaalsContact O-CD2 3.25Å; V295-F297 WeakPolarHBondContact O-CD2 3.34Å; V295-F297 VanDerWaalsContact O-CE2 3.25Å; V295-F297 WeakPolarHBondContact O-CE2 3.37Å; F297-K299 PolarHBondContact O-N 2.85Å; F297-G300 PolarHBondContact O-N 3.1Å; F297-K375 HydrophobicContact CB-CB 4.26Å; F297-K375 HydrophobicContact CB-CG 4.08Å; F297-K375 HydrophobicContact CD2-CB 3.5Å; F297-K375 HydrophobicContact CD2-CG 4.07Å; F297-K375 HydrophobicContact CE2-CB 4.07Å; F297-K375 HydrophobicContact CG-CB 4.01Å; F297-K375 HydrophobicContact CG-CG 4.04Å; F297-V376 HydrophobicContact CD2-CG2 4.17Å; F297-V376 HydrophobicContact CE2-CG2 4.32Å; F297-Q439 HydrophobicContact CE1-CG 4.34Å; F297-Q439 HydrophobicContact CE2-CB 3.82Å; F297-Q439 HydrophobicContact CE2-CG 4.19Å; F297-Q439 HydrophobicContact CZ-CB 3.6Å; F297-Q439 HydrophobicContact CZ-CG 3.74Å
298	D	94.7	Very high	94.7	Very high	111 Å²	111	26.9 Å²	26.9	59%	0.594	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	125.5	172.2	-65.9	-27.7	0	0	0	110.5	G300 R323	D298-G300 PolarHBondContact O-N 2.87Å; D298-R323 IonicContact OD1-CZ 3.35Å; D298-R323 IonicContact OD1-NE 3.93Å; D298-R323 PolarHBondContact OD1-NE 3.48Å; D298-R323 IonicContact OD1-NH2 3.04Å; D298-R323 PolarHBondContact OD1-NH2 3.11Å; D298-R323 IonicContact OD2-NH2 2.71Å
299	K	94.7	Very high	94.8	Very high	147 Å²	147	27.2 Å²	27.2	64%	0.639	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	15.8	-174.3	-54.1	173.4	-177.2	175.1	0	113	F297 R323 R373	F297-K299 PolarHBondContact O-N 2.85Å; K299-R323 PolarHBondContact N-O 2.84Å; K299-R373 PolarHBondContact O-NE 3.23Å; K299-R373 PolarHBondContact O-NH2 3.1Å
300	G	96.1	Very high	94.9	Very high	7 Å²	7	27.6 Å²	27.6	7%	0.072	15%	0.148	C	C	.	.			trans	-80.9	139.1	173.2	0	0	0	0	0	111.3	F297 D298 G325	F297-G300 PolarHBondContact O-N 3.1Å; D298-G300 PolarHBondContact O-N 2.87Å; G300-G325 WeakPolarHBondContact O-CA 3.48Å
301	D	97.8	Very high	95.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	149.3	172.5	-64.4	-22	0	0	0	110.2	R326 L328 R373 K375 V376	D301-R326 CarbonylContact C-O 3.53Å; D301-R326 VanDerWaalsContact CA-O 3.28Å; D301-R326 WeakPolarHBondContact CA-O 3.2Å; D301-R326 WeakPolarHBondContact OD1-CB 3.3Å; D301-R326 IonicContact OD1-CZ 2.72Å; D301-R326 PolarHBondContact OD1-N 2.79Å; D301-R326 IonicContact OD1-NE 2.9Å; D301-R326 PolarHBondContact OD1-NE 2.74Å; D301-R326 IonicContact OD1-NH2 2.7Å; D301-R326 IonicContact OD2-CZ 3.26Å; D301-R326 IonicContact OD2-NE 2.8Å; D301-R326 PolarHBondContact OD2-NE 2.82Å; D301-R326 IonicContact OD2-NH2 2.73Å; D301-R326 PolarHBondContact OD2-NH2 3.27Å; D301-L328 HydrophobicContact CB-CD1 4.14Å; D301-L328 HydrophobicContact CB-CG 4.21Å; D301-R373 HydrophobicContact CB-CB 4.3Å; D301-R373 PolarHBondContact N-O 3.3Å; D301-R373 IonicContact OD1-CZ 2.67Å; D301-R373 IonicContact OD1-NH2 3.43Å; D301-R373 WeakPolarHBondContact OD2-CB 3.47Å; D301-K375 PolarHBondContact O-N 2.93Å; D301-V376 PolarHBondContact O-N 3.36Å
302	V	98.4	Very high	95.4	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.5	174.6	-174.2	0	0	0	0	108.2	L296 V316 A320 R326 V327 L328 V376 V378	L296-V302 HydrophobicContact CD2-CG2 3.45Å; L296-V302 VanDerWaalsContact CD2-CG2 3.45Å; V302-V316 HydrophobicContact CG1-CG1 4.02Å; V302-A320 HydrophobicContact CG2-CB 4.39Å; V302-R326 PolarHBondContact N-O 3.29Å; V302-V327 CarbonylContact O-C 3.58Å; V302-V327 VanDerWaalsContact O-CA 3.26Å; V302-V327 WeakPolarHBondContact O-CA 3.29Å; V302-L328 PolarHBondContact O-N 2.99Å; V302-V376 CarbonylContact C-O 3.53Å; V302-V376 VanDerWaalsContact CA-O 3.29Å; V302-V376 WeakPolarHBondContact CA-O 3.32Å; V302-V376 HydrophobicContact CG1-CB 4.31Å; V302-V376 HydrophobicContact CG1-CG1 4.36Å; V302-V376 HydrophobicContact CG2-CB 4.36Å; V302-V378 HydrophobicContact CG1-CG2 4.11Å
303	L	98.6	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.8	173.1	-176.2	152.2	0	0	0	110.2	A305 L328 F361 L364 L374 V376 I377 V378	L303-A305 HydrophobicContact CD2-CB 3.87Å; L303-L328 WeakPolarHBondContact CA-O 3.48Å; L303-L328 HydrophobicContact CB-CB 4.14Å; L303-L328 HydrophobicContact CD1-CB 4.24Å; L303-L328 HydrophobicContact CG-CB 4.2Å; L303-F361 HydrophobicContact CD1-CD2 4.21Å; L303-F361 HydrophobicContact CD1-CE2 4.24Å; L303-F361 HydrophobicContact CD2-CD2 3.53Å; L303-F361 HydrophobicContact CD2-CE2 3.41Å; L303-F361 VanDerWaalsContact CD2-CE2 3.41Å; L303-F361 HydrophobicContact CD2-CZ 4.34Å; L303-F361 HydrophobicContact CG-CE2 4.5Å; L303-L364 HydrophobicContact CD1-CD2 3.88Å; L303-L374 HydrophobicContact CB-CD1 3.49Å; L303-L374 VanDerWaalsContact CB-CD1 3.49Å; L303-L374 HydrophobicContact CB-CD2 4.1Å; L303-L374 HydrophobicContact CB-CG 4.45Å; L303-L374 HydrophobicContact CD1-CD2 4.1Å; L303-V376 PolarHBondContact N-O 3.26Å; L303-I377 HydrophobicContact CB-CG1 4.27Å; L303-I377 HydrophobicContact CD2-CG2 3.96Å; L303-I377 CarbonylContact O-C 3.47Å; L303-I377 WeakPolarHBondContact O-CA 3.44Å; L303-V378 PolarHBondContact O-N 2.94Å
304	L	98.3	Very high	96.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127	170.3	-75.1	166.7	0	0	0	109.9	F308 V313 V316 V327 L328 V378 L380	L304-F308 HydrophobicContact CB-CD1 4.38Å; L304-F308 HydrophobicContact CB-CE1 3.75Å; L304-F308 HydrophobicContact CB-CE2 4.07Å; L304-F308 HydrophobicContact CB-CZ 3.57Å; L304-F308 HydrophobicContact CD1-CE2 4.44Å; L304-V313 HydrophobicContact CD1-CB 4.27Å; L304-V313 HydrophobicContact CD1-CG1 4.48Å; L304-V313 HydrophobicContact CD1-CG2 3.89Å; L304-V316 HydrophobicContact CD1-CB 4Å; L304-V316 HydrophobicContact CD1-CG1 4.25Å; L304-V316 HydrophobicContact CD1-CG2 3.98Å; L304-V316 HydrophobicContact CD2-CG2 3.97Å; L304-V316 HydrophobicContact CG-CG1 4.39Å; L304-V316 HydrophobicContact CG-CG2 4.4Å; L304-V327 HydrophobicContact CD1-CG1 3.91Å; L304-V327 HydrophobicContact CG-CG1 4.31Å; L304-L328 PolarHBondContact N-O 3.38Å; L304-V378 HydrophobicContact CD2-CB 3.7Å; L304-V378 HydrophobicContact CD2-CG1 3.96Å; L304-L380 HydrophobicContact CD2-CD1 4.17Å
305	A	97.9	Very high	96.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.4	179.5	0	0	0	0	0	111.2	L303 F361 I377 V378 V379 L380	L303-A305 HydrophobicContact CD2-CB 3.87Å; A305-F361 HydrophobicContact CB-CD1 3.66Å; A305-F361 HydrophobicContact CB-CD2 4.02Å; A305-F361 HydrophobicContact CB-CE1 3.67Å; A305-F361 HydrophobicContact CB-CE2 4.06Å; A305-F361 HydrophobicContact CB-CG 3.82Å; A305-F361 HydrophobicContact CB-CZ 3.87Å; A305-I377 HydrophobicContact CB-CG2 4.43Å; A305-V378 PolarHBondContact N-O 3.46Å; A305-V379 WeakPolarHBondContact O-CA 3.17Å; A305-L380 PolarHBondContact O-N 3.43Å
306	G	96.3	Very high	96.7	Very high	16 Å²	16	21 Å²	21	17%	0.165	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.4	-143.3	178.9	0	0	0	0	0	113.6	F308 L380	G306-F308 WeakPolarHBondContact O-CE1 3.19Å; G306-L380 CarbonylContact C-O 3.45Å; G306-L380 WeakPolarHBondContact CA-O 3.39Å
307	S	94.4	Very high	96.9	Very high	12 Å²	12	20.3 Å²	20.3	8%	0.084	11%	0.107	C	C	.	.	S	Bend	trans	-113.4	116.1	-176.5	-165.2	0	0	0	0	112	L380 E398 H399	S307-L380 PolarHBondContact N-O 3.24Å; S307-E398 PolarHBondContact OG-O 3.43Å; S307-H399 WeakPolarHBondContact OG-CB 3.28Å; S307-H399 PolarHBondContact OG-O 2.93Å
308	F	96.2	Very high	97.2	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.09	C	C	.	.			trans	-157.6	155.3	-174.5	48.3	-97.5	0	0	0	111	L304 G306 T312 V313 V329 H334 M342 L380 E398 H399	L304-F308 HydrophobicContact CB-CD1 4.38Å; L304-F308 HydrophobicContact CB-CE1 3.75Å; L304-F308 HydrophobicContact CB-CE2 4.07Å; L304-F308 HydrophobicContact CB-CZ 3.57Å; L304-F308 HydrophobicContact CD1-CE2 4.44Å; G306-F308 WeakPolarHBondContact O-CE1 3.19Å; F308-T312 HydrophobicContact CB-CG2 3.89Å; F308-V313 HydrophobicContact CD2-CG2 3.56Å; F308-V313 HydrophobicContact CE2-CG2 3.46Å; F308-V313 VanDerWaalsContact CE2-CG2 3.46Å; F308-V329 HydrophobicContact CE2-CG1 4.15Å; F308-V329 HydrophobicContact CZ-CG1 4.12Å; F308-H334 AromaticContact CE2-CE1 3.69Å; F308-H334 AromaticContact CE2-NE2 3.64Å; F308-H334 AromaticContact CZ-CE1 3.55Å; F308-H334 AromaticContact CZ-NE2 3.34Å; F308-H334 VanDerWaalsContact CZ-NE2 3.34Å; F308-H334 WeakPolarHBondContact CZ-NE2 3.35Å; F308-M342 HydrophobicContact CE2-CE 4.25Å; F308-L380 HydrophobicContact CB-CD1 3.91Å; F308-L380 HydrophobicContact CD1-CB 4.32Å; F308-L380 HydrophobicContact CD1-CD1 4.35Å; F308-L380 HydrophobicContact CG-CD1 4.41Å; F308-E398 WeakPolarHBondContact CA-OE2 3.41Å; F308-H399 PolarHBondContact O-CD2 3.21Å
309	S	95.8	Very high	97.2	Very high	9 Å²	9	11.6 Å²	11.6	6%	0.063	7%	0.065	C	C	.	.			trans	-78.4	161.9	179.9	74.9	0	0	0	0	113.1	L311 T312 V313 S397 E398	S309-L311 PolarHBondContact O-N 3.47Å; S309-L311 WeakPolarHBondContact OG-CB 3.42Å; S309-L311 PolarHBondContact OG-N 2.93Å; S309-T312 WeakPolarHBondContact O-CB 3.46Å; S309-T312 PolarHBondContact O-N 3.42Å; S309-T312 VanDerWaalsContact O-N 3.11Å; S309-T312 PolarHBondContact OG-N 2.85Å; S309-T312 PolarHBondContact OG-OG1 2.76Å; S309-T312 VanDerWaalsContact OG-OG1 3.12Å; S309-V313 PolarHBondContact O-N 3.32Å; S309-S397 WeakPolarHBondContact CB-O 3.44Å; S309-E398 WeakPolarHBondContact CB-OE1 3.25Å; S309-E398 PolarHBondContact N-OE2 2.92Å; S309-E398 PolarHBondContact OG-OE1 3.08Å; S309-E398 PolarHBondContact OG-OE2 3.42Å
310	A	96.6	Very high	97.3	Very high	12 Å²	12	4.6 Å²	4.6	10%	0.099	4%	0.035	C	C	.	.	H	α-helix	trans	-53.8	-33	165.8	0	0	0	0	0	112.6	V313 A314 M342 L345	A310-V313 PolarHBondContact O-N 2.8Å; A310-A314 PolarHBondContact O-N 3.37Å; A310-M342 HydrophobicContact CB-CB 3.95Å; A310-M342 HydrophobicContact CB-CG 4.15Å; A310-L345 HydrophobicContact CB-CB 4.18Å; A310-L345 HydrophobicContact CB-CD2 3.59Å; A310-L345 HydrophobicContact CB-CG 4.49Å
311	L	97.3	Very high	97.3	Very high	22 Å²	22	5.9 Å²	5.9	12%	0.115	5%	0.045	C	C	.	.	H	α-helix	trans	-70.2	-36.6	179.4	-167.2	65.1	0	0	0	111.7	W213 N279 Q281 S309 A314 H315 L345	W213-L311 HydrophobicContact CZ2-CD1 3.65Å; W213-L311 HydrophobicContact CZ2-CG 3.99Å; N279-L311 HydrophobicContact CB-CD1 3.95Å; N279-L311 HydrophobicContact CB-CD2 4.28Å; N279-L311 HydrophobicContact CB-CG 4.48Å; Q281-L311 HydrophobicContact CB-CD2 4.19Å; Q281-L311 HydrophobicContact CG-CD2 4.47Å; S309-L311 PolarHBondContact O-N 3.47Å; S309-L311 WeakPolarHBondContact OG-CB 3.42Å; S309-L311 PolarHBondContact OG-N 2.93Å; L311-A314 WeakPolarHBondContact O-CB 3.47Å; L311-A314 PolarHBondContact O-N 3.4Å; L311-H315 WeakPolarHBondContact O-CB 3.44Å; L311-H315 PolarHBondContact O-N 3.47Å; L311-L345 HydrophobicContact CB-CD2 4.24Å; L311-L345 HydrophobicContact CD1-CD2 4.16Å
312	T	98.1	Very high	97.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-43	172	-58.9	0	0	0	0	111.2	Q281 V285 F308 S309 A314 H315 V316 L380 E398	Q281-T312 PolarHBondContact NE2-OG1 3.24Å; V285-T312 HydrophobicContact CG1-CG2 3.79Å; V285-T312 WeakPolarHBondContact CG1-OG1 3.38Å; F308-T312 HydrophobicContact CB-CG2 3.89Å; S309-T312 WeakPolarHBondContact O-CB 3.46Å; S309-T312 PolarHBondContact O-N 3.42Å; S309-T312 VanDerWaalsContact O-N 3.11Å; S309-T312 PolarHBondContact OG-N 2.85Å; S309-T312 PolarHBondContact OG-OG1 2.76Å; S309-T312 VanDerWaalsContact OG-OG1 3.12Å; T312-A314 VanDerWaalsContact C-N 3.35Å; T312-A314 PolarHBondContact O-N 3.18Å; T312-H315 PolarHBondContact O-N 3.5Å; T312-V316 WeakPolarHBondContact O-CG2 3.4Å; T312-V316 PolarHBondContact O-N 3.31Å; T312-L380 HydrophobicContact CG2-CD1 3.63Å; T312-E398 VanDerWaalsContact OG1-CD 3.24Å; T312-E398 PolarHBondContact OG1-OE1 3.37Å; T312-E398 VanDerWaalsContact OG1-OE1 3.1Å; T312-E398 PolarHBondContact OG1-OE2 3.1Å
313	V	98.4	Very high	97	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-45.1	174.5	-178.7	0	0	0	0	111	L304 F308 S309 A310 H315 V316 A317 V327 V329 M342 L346 V354	L304-V313 HydrophobicContact CD1-CB 4.27Å; L304-V313 HydrophobicContact CD1-CG1 4.48Å; L304-V313 HydrophobicContact CD1-CG2 3.89Å; F308-V313 HydrophobicContact CD2-CG2 3.56Å; F308-V313 HydrophobicContact CE2-CG2 3.46Å; F308-V313 VanDerWaalsContact CE2-CG2 3.46Å; S309-V313 PolarHBondContact O-N 3.32Å; A310-V313 PolarHBondContact O-N 2.8Å; V313-H315 PolarHBondContact O-N 2.88Å; V313-V316 PolarHBondContact O-N 3.2Å; V313-A317 VanDerWaalsContact O-CB 3.27Å; V313-A317 WeakPolarHBondContact O-CB 3.18Å; V313-A317 PolarHBondContact O-N 2.73Å; V313-V327 HydrophobicContact CG1-CG1 4.27Å; V313-V329 HydrophobicContact CG1-CG2 3.93Å; V313-V329 HydrophobicContact CG2-CG2 4.11Å; V313-M342 HydrophobicContact CB-CE 4.48Å; V313-M342 HydrophobicContact CB-SD 4.23Å; V313-M342 HydrophobicContact CG1-SD 4.11Å; V313-M342 HydrophobicContact CG2-CE 3.57Å; V313-M342 HydrophobicContact CG2-SD 3.79Å; V313-L346 HydrophobicContact CG1-CD1 4.37Å; V313-V354 HydrophobicContact CG1-CG1 3.87Å; V313-V354 HydrophobicContact CG1-CG2 4.13Å
314	A	98.4	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-46.2	176.7	0	0	0	0	0	112	W213 A310 L311 T312 V316 A317 V318 L346 M349 I351	W213-A314 HydrophobicContact CH2-CB 4.32Å; W213-A314 HydrophobicContact CZ2-CB 4.45Å; A310-A314 PolarHBondContact O-N 3.37Å; L311-A314 WeakPolarHBondContact O-CB 3.47Å; L311-A314 PolarHBondContact O-N 3.4Å; T312-A314 VanDerWaalsContact C-N 3.35Å; T312-A314 PolarHBondContact O-N 3.18Å; A314-V316 PolarHBondContact O-N 3.03Å; A314-A317 WeakPolarHBondContact O-CB 3.46Å; A314-A317 PolarHBondContact O-N 3.43Å; A314-A317 VanDerWaalsContact O-N 3.13Å; A314-V318 VanDerWaalsContact O-CG2 3.31Å; A314-V318 WeakPolarHBondContact O-CG2 3.48Å; A314-V318 PolarHBondContact O-N 3.26Å; A314-L346 HydrophobicContact CB-CD2 3.92Å; A314-M349 HydrophobicContact CB-CE 4.23Å; A314-M349 HydrophobicContact CB-SD 3.71Å; A314-I351 HydrophobicContact CB-CD1 3.67Å
315	H	98.3	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-45.3	179.4	-168.3	175.4	0	0	0	111.7	W213 D255 Q281 V289 R293 L311 T312 V313 A317 V318 A319	W213-H315 AromaticContact CD1-CE1 3.75Å; W213-H315 AromaticContact CD1-ND1 3.38Å; W213-H315 HydrophobicContact CD2-CB 4.18Å; W213-H315 AromaticContact CD2-CD2 3.98Å; W213-H315 AromaticContact CD2-CG 3.77Å; W213-H315 AromaticContact CD2-ND1 3.89Å; W213-H315 AromaticContact CE2-CG 3.72Å; W213-H315 AromaticContact CE2-ND1 3.9Å; W213-H315 AromaticContact CG-CE1 3.6Å; W213-H315 AromaticContact CG-CG 3.95Å; W213-H315 AromaticContact CG-ND1 3.57Å; W213-H315 HydrophobicContact CH2-CB 4.16Å; W213-H315 HydrophobicContact CZ2-CB 3.66Å; W213-H315 AromaticContact NE1-CG 3.84Å; W213-H315 AromaticContact NE1-ND1 3.56Å; D255-H315 IonicContact OD1-NE2 2.63Å; D255-H315 IonicContact OD2-CD2 2.66Å; D255-H315 IonicContact OD2-CE1 3.98Å; D255-H315 IonicContact OD2-NE2 2.84Å; D255-H315 PolarHBondContact OD2-NE2 3.18Å; Q281-H315 PolarHBondContact OE1-ND1 3.2Å; V289-H315 HydrophobicContact CG2-CB 4.22Å; R293-H315 PolarHBondContact NH2-NE2 3.17Å; L311-H315 WeakPolarHBondContact O-CB 3.44Å; L311-H315 PolarHBondContact O-N 3.47Å; T312-H315 PolarHBondContact O-N 3.5Å; V313-H315 PolarHBondContact O-N 2.88Å; H315-A317 VanDerWaalsContact C-N 3.31Å; H315-A317 PolarHBondContact O-N 3.23Å; H315-V318 PolarHBondContact O-N 2.95Å; H315-A319 PolarHBondContact O-N 2.96Å
316	V	98.3	Very high	96.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-65.2	-36.5	174.9	177.6	0	0	0	0	111.3	V289 V302 L304 T312 V313 A314 A319 A320 V327	V289-V316 HydrophobicContact CB-CG2 4.49Å; V289-V316 HydrophobicContact CG1-CG2 4.26Å; V289-V316 HydrophobicContact CG2-CG2 3.65Å; V302-V316 HydrophobicContact CG1-CG1 4.02Å; L304-V316 HydrophobicContact CD1-CB 4Å; L304-V316 HydrophobicContact CD1-CG1 4.25Å; L304-V316 HydrophobicContact CD1-CG2 3.98Å; L304-V316 HydrophobicContact CD2-CG2 3.97Å; L304-V316 HydrophobicContact CG-CG1 4.39Å; L304-V316 HydrophobicContact CG-CG2 4.4Å; T312-V316 WeakPolarHBondContact O-CG2 3.4Å; T312-V316 PolarHBondContact O-N 3.31Å; V313-V316 PolarHBondContact O-N 3.2Å; A314-V316 PolarHBondContact O-N 3.03Å; V316-A319 PolarHBondContact O-N 3.2Å; V316-A320 WeakPolarHBondContact O-CB 3.41Å; V316-A320 PolarHBondContact O-N 2.98Å; V316-V327 HydrophobicContact CB-CG2 4.44Å; V316-V327 HydrophobicContact CG1-CG1 4.36Å; V316-V327 HydrophobicContact CG1-CG2 3.86Å
317	A	98.3	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-40	177.8	0	0	0	0	0	112.7	V313 A314 H315 A320 A321 V327 I351 N353 V354	V313-A317 VanDerWaalsContact O-CB 3.27Å; V313-A317 WeakPolarHBondContact O-CB 3.18Å; V313-A317 PolarHBondContact O-N 2.73Å; A314-A317 WeakPolarHBondContact O-CB 3.46Å; A314-A317 PolarHBondContact O-N 3.43Å; A314-A317 VanDerWaalsContact O-N 3.13Å; H315-A317 VanDerWaalsContact C-N 3.31Å; H315-A317 PolarHBondContact O-N 3.23Å; A317-A320 PolarHBondContact O-N 3.4Å; A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 3.2Å; A317-V327 VanDerWaalsContact CA-CG2 3.47Å; A317-V327 HydrophobicContact CB-CG2 3.86Å; A317-I351 HydrophobicContact CB-CG2 3.64Å; A317-N353 PolarHBondContact O-ND2 2.83Å; A317-V354 HydrophobicContact CB-CG2 3.66Å
318	V	97.6	Very high	97	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-46.2	172.1	170.4	0	0	0	0	110.4	W213 N215 T216 L217 A314 H315 A320 A321 I351	W213-V318 HydrophobicContact CH2-CG2 4.4Å; W213-V318 HydrophobicContact CZ3-CG2 4.15Å; N215-V318 WeakPolarHBondContact OD1-CG2 3.43Å; T216-V318 WeakPolarHBondContact OG1-CG1 3.46Å; L217-V318 HydrophobicContact CD1-CG2 3.87Å; L217-V318 HydrophobicContact CG-CG1 4.27Å; L217-V318 HydrophobicContact CG-CG2 4.06Å; A314-V318 VanDerWaalsContact O-CG2 3.31Å; A314-V318 WeakPolarHBondContact O-CG2 3.48Å; A314-V318 PolarHBondContact O-N 3.26Å; H315-V318 PolarHBondContact O-N 2.95Å; V318-A320 PolarHBondContact O-N 3.08Å; V318-A321 PolarHBondContact O-N 3.46Å; V318-I351 HydrophobicContact CG2-CD1 4.04Å
319	A	96.2	Very high	97	Very high	8 Å²	8	20.9 Å²	20.9	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-62.9	-42.1	175.9	0	0	0	0	0	112.6	V289 R293 L296 H315 V316 A321	V289-A319 HydrophobicContact CG1-CB 3.88Å; R293-A319 HydrophobicContact CG-CB 4.1Å; L296-A319 HydrophobicContact CD1-CB 4.36Å; H315-A319 PolarHBondContact O-N 2.96Å; V316-A319 PolarHBondContact O-N 3.2Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 3.39Å
320	A	97	Very high	97.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-68.9	-30.2	179.1	0	0	0	0	0	113.5	L296 V302 V316 A317 V318 A322 R323 S324 G325 V327	L296-A320 HydrophobicContact CD1-CB 4.49Å; V302-A320 HydrophobicContact CG2-CB 4.39Å; V316-A320 WeakPolarHBondContact O-CB 3.41Å; V316-A320 PolarHBondContact O-N 2.98Å; A317-A320 PolarHBondContact O-N 3.4Å; V318-A320 PolarHBondContact O-N 3.08Å; A320-A322 VanDerWaalsContact C-N 3.25Å; A320-A322 PolarHBondContact O-N 3.21Å; A320-R323 CarbonylContact O-C 3.53Å; A320-R323 PolarHBondContact O-N 3.33Å; A320-S324 PolarHBondContact O-N 3.01Å; A320-G325 PolarHBondContact O-N 3.14Å; A320-V327 HydrophobicContact CB-CG2 4.06Å
321	A	96.4	Very high	96.9	Very high	34 Å²	34	20.5 Å²	20.5	28%	0.281	13%	0.126	S	C	.	.	H	α-helix	trans	-60.3	-35.3	179	0	0	0	0	0	112.3	L217 A317 V318 A319 R323 S324	L217-A321 HydrophobicContact CD2-CB 3.9Å; A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 3.2Å; V318-A321 PolarHBondContact O-N 3.46Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 3.39Å; A321-R323 PolarHBondContact O-N 3.22Å; A321-S324 PolarHBondContact O-N 3.5Å
322	A	93.2	Very high	96.8	Very high	91 Å²	91	22.6 Å²	22.6	75%	0.752	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.9	175.9	0	0	0	0	0	113.4	A320	A320-A322 VanDerWaalsContact C-N 3.25Å; A320-A322 PolarHBondContact O-N 3.21Å
323	R	95.2	Very high	96.6	Very high	94 Å²	94	25.8 Å²	25.8	36%	0.355	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	15.4	177.5	-53	-138.7	79.9	104.4	3.2	113.3	L296 D298 K299 A320 A321 G325	L296-R323 VanDerWaalsContact C-CD 3.48Å; L296-R323 HydrophobicContact CB-CG 3.96Å; L296-R323 WeakPolarHBondContact O-CD 3.22Å; D298-R323 IonicContact OD1-CZ 3.35Å; D298-R323 IonicContact OD1-NE 3.93Å; D298-R323 PolarHBondContact OD1-NE 3.48Å; D298-R323 IonicContact OD1-NH2 3.04Å; D298-R323 PolarHBondContact OD1-NH2 3.11Å; D298-R323 IonicContact OD2-NH2 2.71Å; K299-R323 PolarHBondContact N-O 2.84Å; A320-R323 CarbonylContact O-C 3.53Å; A320-R323 PolarHBondContact O-N 3.33Å; A321-R323 PolarHBondContact O-N 3.22Å; R323-G325 PolarHBondContact O-N 3.1Å; R323-G325 VanDerWaalsContact O-N 3.14Å
324	S	95.7	Very high	96.4	Very high	85 Å²	85	26.6 Å²	26.6	59%	0.594	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	29	-173.2	-55.8	0	0	0	0	113.6	A320 A321	A320-S324 PolarHBondContact O-N 3.01Å; A321-S324 PolarHBondContact O-N 3.5Å
325	G	95.5	Very high	96.2	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	19%	0.185	C	C	.	.			trans	-89.4	157.5	178.7	0	0	0	0	0	112.5	G300 A320 R323 N353	G300-G325 WeakPolarHBondContact O-CA 3.48Å; A320-G325 PolarHBondContact O-N 3.14Å; R323-G325 PolarHBondContact O-N 3.1Å; R323-G325 VanDerWaalsContact O-N 3.14Å; G325-N353 PolarHBondContact O-ND2 3.21Å
326	R	97.3	Very high	95.9	Very high	74 Å²	74	34 Å²	34	28%	0.279	22%	0.219	S	C	.	.			trans	-107.9	153.1	170.7	-55.8	174.7	-64.8	-180	5.3	110.8	D301 V302 N353	D301-R326 CarbonylContact C-O 3.53Å; D301-R326 VanDerWaalsContact CA-O 3.28Å; D301-R326 WeakPolarHBondContact CA-O 3.2Å; D301-R326 WeakPolarHBondContact OD1-CB 3.3Å; D301-R326 IonicContact OD1-CZ 2.72Å; D301-R326 PolarHBondContact OD1-N 2.79Å; D301-R326 IonicContact OD1-NE 2.9Å; D301-R326 PolarHBondContact OD1-NE 2.74Å; D301-R326 IonicContact OD1-NH2 2.7Å; D301-R326 IonicContact OD2-CZ 3.26Å; D301-R326 IonicContact OD2-NE 2.8Å; D301-R326 PolarHBondContact OD2-NE 2.82Å; D301-R326 IonicContact OD2-NH2 2.73Å; D301-R326 PolarHBondContact OD2-NH2 3.27Å; V302-R326 PolarHBondContact N-O 3.29Å; R326-N353 CarbonylContact C-O 3.56Å; R326-N353 WeakPolarHBondContact CA-O 3.4Å; R326-N353 WeakPolarHBondContact CB-O 3.28Å
327	V	98.4	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.1	170.3	-176.8	0	0	0	0	109.3	V302 L304 V313 V316 A317 A320 V329 N353 V354 K355	V302-V327 CarbonylContact O-C 3.58Å; V302-V327 VanDerWaalsContact O-CA 3.26Å; V302-V327 WeakPolarHBondContact O-CA 3.29Å; L304-V327 HydrophobicContact CD1-CG1 3.91Å; L304-V327 HydrophobicContact CG-CG1 4.31Å; V313-V327 HydrophobicContact CG1-CG1 4.27Å; V316-V327 HydrophobicContact CB-CG2 4.44Å; V316-V327 HydrophobicContact CG1-CG1 4.36Å; V316-V327 HydrophobicContact CG1-CG2 3.86Å; A317-V327 VanDerWaalsContact CA-CG2 3.47Å; A317-V327 HydrophobicContact CB-CG2 3.86Å; A320-V327 HydrophobicContact CB-CG2 4.06Å; V327-V329 HydrophobicContact CG1-CG2 4.25Å; V327-N353 PolarHBondContact N-O 3.49Å; V327-V354 HydrophobicContact CB-CG2 4.25Å; V327-V354 CarbonylContact O-C 3.54Å; V327-V354 WeakPolarHBondContact O-CA 3.45Å; V327-K355 PolarHBondContact O-N 2.9Å
328	L	98.3	Very high	95.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134	174.6	-52	-177.8	0	0	0	108.8	D301 V302 L303 L304 K355 L357 V371 L374	D301-L328 HydrophobicContact CB-CD1 4.14Å; D301-L328 HydrophobicContact CB-CG 4.21Å; V302-L328 PolarHBondContact O-N 2.99Å; L303-L328 WeakPolarHBondContact CA-O 3.48Å; L303-L328 HydrophobicContact CB-CB 4.14Å; L303-L328 HydrophobicContact CD1-CB 4.24Å; L303-L328 HydrophobicContact CG-CB 4.2Å; L304-L328 PolarHBondContact N-O 3.38Å; L328-K355 WeakPolarHBondContact CA-O 3.47Å; L328-K355 HydrophobicContact CD2-CB 3.9Å; L328-K355 HydrophobicContact CD2-CD 4.31Å; L328-L357 HydrophobicContact CB-CD1 4.48Å; L328-V371 HydrophobicContact CD1-CG1 4.13Å; L328-L374 HydrophobicContact CD1-CD1 4.45Å
329	V	98	Very high	95.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.5	176.7	178.3	0	0	0	0	108.6	F308 V313 V327 G331 M342 V354 K355 V356 L357	F308-V329 HydrophobicContact CE2-CG1 4.15Å; F308-V329 HydrophobicContact CZ-CG1 4.12Å; V313-V329 HydrophobicContact CG1-CG2 3.93Å; V313-V329 HydrophobicContact CG2-CG2 4.11Å; V327-V329 HydrophobicContact CG1-CG2 4.25Å; V329-G331 PolarHBondContact O-N 3.32Å; V329-M342 HydrophobicContact CG1-CE 4.33Å; V329-M342 HydrophobicContact CG1-SD 4.21Å; V329-M342 HydrophobicContact CG2-SD 4.35Å; V329-V354 HydrophobicContact CG2-CG1 4.37Å; V329-K355 PolarHBondContact N-O 3.26Å; V329-V356 CarbonylContact O-C 3.55Å; V329-V356 WeakPolarHBondContact O-CA 3.27Å; V329-L357 PolarHBondContact O-N 3.06Å
330	C	97.2	Very high	95.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	99.2	176.6	-73.7	0	0	0	0	110.1	A332 D333 H334 A359 F361	C330-A332 VanDerWaalsContact C-N 3.29Å; C330-A332 PolarHBondContact O-N 3.26Å; C330-D333 VanDerWaalsContact CB-OD2 3.25Å; C330-D333 WeakPolarHBondContact CB-OD2 3.45Å; C330-D333 PolarHBondContact O-N 2.98Å; C330-H334 PolarHBondContact O-CD2 3.24Å; C330-H334 VanDerWaalsContact O-CD2 3.26Å; C330-A359 CarbonylContact C-O 3.58Å; C330-A359 WeakPolarHBondContact CA-O 3.29Å; C330-A359 VanDerWaalsContact CB-O 3.22Å; C330-A359 WeakPolarHBondContact CB-O 3.33Å; C330-F361 HydrophobicContact CB-CB 4.01Å; C330-F361 VanDerWaalsContact SG-CA 3.53Å
331	G	93	Very high	95	Very high	12 Å²	12	48.3 Å²	48.3	12%	0.124	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63.7	-28.8	-171.7	0	0	0	0	0	114.5	V329 D333 H334 L357	V329-G331 PolarHBondContact O-N 3.32Å; G331-D333 PolarHBondContact O-N 3.04Å; G331-H334 PolarHBondContact O-N 2.97Å; G331-L357 WeakPolarHBondContact CA-O 3.47Å; G331-L357 PolarHBondContact N-O 3.21Å
332	A	94.4	Very high	94.9	Very high	65 Å²	65	46.9 Å²	46.9	54%	0.537	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-72.9	-13	179.7	0	0	0	0	0	113.8	C330 H334 A360	C330-A332 VanDerWaalsContact C-N 3.29Å; C330-A332 PolarHBondContact O-N 3.26Å; A332-H334 VanDerWaalsContact C-N 3.27Å; A332-A360 HydrophobicContact CB-CB 4.18Å
333	D	94.3	Very high	95.1	Very high	68 Å²	68	47 Å²	47	36%	0.364	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-82.2	-7.8	173.2	-62	-38.6	0	0	0	112.5	C330 G331 A360 F361	C330-D333 VanDerWaalsContact CB-OD2 3.25Å; C330-D333 WeakPolarHBondContact CB-OD2 3.45Å; C330-D333 PolarHBondContact O-N 2.98Å; G331-D333 PolarHBondContact O-N 3.04Å; D333-A360 WeakPolarHBondContact OD1-CA 3Å; D333-A360 VanDerWaalsContact OD1-CB 3.28Å; D333-A360 WeakPolarHBondContact OD1-CB 3.48Å; D333-F361 PolarHBondContact OD1-N 3.28Å; D333-F361 WeakPolarHBondContact OD2-CA 3.41Å; D333-F361 WeakPolarHBondContact OD2-CB 3.29Å; D333-F361 PolarHBondContact OD2-N 2.77Å
334	H	94.3	Very high	95.1	Very high	17 Å²	17	47.7 Å²	47.7	8%	0.079	27%	0.274	C	S	.	.	S	Bend	trans	-116.5	145.1	-176.2	-59.8	-70.5	0	0	0	111.1	F308 C330 G331 A332 Q338	F308-H334 AromaticContact CE2-CE1 3.69Å; F308-H334 AromaticContact CE2-NE2 3.64Å; F308-H334 AromaticContact CZ-CE1 3.55Å; F308-H334 AromaticContact CZ-NE2 3.34Å; F308-H334 VanDerWaalsContact CZ-NE2 3.34Å; F308-H334 WeakPolarHBondContact CZ-NE2 3.35Å; C330-H334 PolarHBondContact O-CD2 3.24Å; C330-H334 VanDerWaalsContact O-CD2 3.26Å; G331-H334 PolarHBondContact O-N 2.97Å; A332-H334 VanDerWaalsContact C-N 3.27Å; H334-Q338 HydrophobicContact CB-CB 4.29Å
335	A	93.6	Very high	95.2	Very high	46 Å²	46	44.3 Å²	44.3	38%	0.38	25%	0.249	S	C	.	.			trans	-61.9	150	174.2	0	0	0	0	0	110.3	V337 Q338 T339	A335-V337 PolarHBondContact O-N 3.14Å; A335-Q338 HydrophobicContact CB-CG 4.12Å; A335-Q338 WeakPolarHBondContact O-CB 3.43Å; A335-Q338 PolarHBondContact O-N 3.24Å; A335-T339 PolarHBondContact O-N 2.98Å; A335-T339 PolarHBondContact O-OG1 2.84Å
336	P	92.8	Very high	95.3	Very high	108 Å²	108	44.7 Å²	44.7	70%	0.701	25%	0.25	S	S	*	.	H	α-helix	trans	-52.9	-42	179	-28.9	35.5	0	0	0	113	Q338 T339 E340	P336-Q338 VanDerWaalsContact C-N 3.34Å; P336-Q338 PolarHBondContact O-N 2.92Å; P336-T339 PolarHBondContact O-N 3.19Å; P336-E340 PolarHBondContact O-N 3.38Å
337	V	91	Very high	95.2	Very high	100 Å²	100	45.5 Å²	45.5	61%	0.606	27%	0.267	S	S	*	.	H	α-helix	trans	-59.4	-42.5	176.3	179.4	0	0	0	0	111.7	A335 T339 E340 E341	A335-V337 PolarHBondContact O-N 3.14Å; V337-T339 VanDerWaalsContact C-N 3.34Å; V337-T339 PolarHBondContact O-N 3.37Å; V337-E340 PolarHBondContact O-N 2.66Å; V337-E341 HydrophobicContact CG1-CG 4.43Å; V337-E341 WeakPolarHBondContact O-CB 3.09Å; V337-E341 VanDerWaalsContact O-CG 3.24Å; V337-E341 WeakPolarHBondContact O-CG 3.17Å; V337-E341 PolarHBondContact O-N 3.39Å
338	Q	93.3	Very high	95.1	Very high	49 Å²	49	50.8 Å²	50.8	23%	0.229	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-38.5	178.3	-65.3	169.6	-15.7	0	0	111.6	H334 A335 P336 E341 M342	H334-Q338 HydrophobicContact CB-CB 4.29Å; A335-Q338 HydrophobicContact CB-CG 4.12Å; A335-Q338 WeakPolarHBondContact O-CB 3.43Å; A335-Q338 PolarHBondContact O-N 3.24Å; P336-Q338 VanDerWaalsContact C-N 3.34Å; P336-Q338 PolarHBondContact O-N 2.92Å; Q338-E341 PolarHBondContact O-N 2.79Å; Q338-M342 WeakPolarHBondContact O-CB 3.38Å; Q338-M342 PolarHBondContact O-N 3.05Å
339	T	94.1	Very high	95	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.117	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-40.9	177.5	-60.3	0	0	0	0	111.5	A335 P336 V337 M342 K343 V356	A335-T339 PolarHBondContact O-N 2.98Å; A335-T339 PolarHBondContact O-OG1 2.84Å; P336-T339 PolarHBondContact O-N 3.19Å; V337-T339 VanDerWaalsContact C-N 3.34Å; V337-T339 PolarHBondContact O-N 3.37Å; T339-M342 WeakPolarHBondContact O-CB 3.33Å; T339-M342 PolarHBondContact O-N 3.45Å; T339-K343 WeakPolarHBondContact O-CG 3.34Å; T339-K343 PolarHBondContact O-N 2.7Å; T339-V356 HydrophobicContact CG2-CG1 4.35Å
340	E	94.5	Very high	94.9	Very high	89 Å²	89	53.9 Å²	53.9	42%	0.416	32%	0.32	S	S	.	.	H	α-helix	trans	-68.2	-42.9	175.1	-68.2	-50.6	126.6	0	0	112.2	P336 V337 M342 K343 N344	P336-E340 PolarHBondContact O-N 3.38Å; V337-E340 PolarHBondContact O-N 2.66Å; E340-M342 PolarHBondContact O-N 3.05Å; E340-K343 PolarHBondContact O-N 3.05Å; E340-K343 IonicContact OE1-NZ 3.51Å; E340-K343 PolarHBondContact OE1-NZ 2.85Å; E340-N344 WeakPolarHBondContact O-CB 3.47Å; E340-N344 VanDerWaalsContact O-CG 3.22Å; E340-N344 PolarHBondContact O-N 3.18Å; E340-N344 PolarHBondContact O-ND2 3.44Å
341	E	93.6	Very high	95	Very high	59 Å²	59	54.4 Å²	54.4	28%	0.276	32%	0.322	S	S	.	.	H	α-helix	trans	-55.5	-40.5	171.5	-75.5	179.5	173.4	0	0	112	K88 V337 Q338 L345	K88-E341 WeakPolarHBondContact CE-OE1 3.27Å; K88-E341 IonicContact NZ-OE1 3.86Å; K88-E341 PolarHBondContact NZ-OE1 3.4Å; K88-E341 IonicContact NZ-OE2 2.69Å; K88-E341 PolarHBondContact NZ-OE2 2.93Å; V337-E341 HydrophobicContact CG1-CG 4.43Å; V337-E341 WeakPolarHBondContact O-CB 3.09Å; V337-E341 VanDerWaalsContact O-CG 3.24Å; V337-E341 WeakPolarHBondContact O-CG 3.17Å; V337-E341 PolarHBondContact O-N 3.39Å; Q338-E341 PolarHBondContact O-N 2.79Å; E341-L345 WeakPolarHBondContact O-CB 3.48Å; E341-L345 PolarHBondContact O-N 2.84Å
342	M	96.3	Very high	95.1	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-49.7	176.8	-172.9	-179.6	-59.4	0	0	112.2	F308 A310 V313 V329 Q338 T339 E340 N344 L345 L346	F308-M342 HydrophobicContact CE2-CE 4.25Å; A310-M342 HydrophobicContact CB-CB 3.95Å; A310-M342 HydrophobicContact CB-CG 4.15Å; V313-M342 HydrophobicContact CB-CE 4.48Å; V313-M342 HydrophobicContact CB-SD 4.23Å; V313-M342 HydrophobicContact CG1-SD 4.11Å; V313-M342 HydrophobicContact CG2-CE 3.57Å; V313-M342 HydrophobicContact CG2-SD 3.79Å; V329-M342 HydrophobicContact CG1-CE 4.33Å; V329-M342 HydrophobicContact CG1-SD 4.21Å; V329-M342 HydrophobicContact CG2-SD 4.35Å; Q338-M342 WeakPolarHBondContact O-CB 3.38Å; Q338-M342 PolarHBondContact O-N 3.05Å; T339-M342 WeakPolarHBondContact O-CB 3.33Å; T339-M342 PolarHBondContact O-N 3.45Å; E340-M342 PolarHBondContact O-N 3.05Å; M342-N344 VanDerWaalsContact C-N 3.3Å; M342-N344 PolarHBondContact O-N 3.16Å; M342-L345 PolarHBondContact O-N 3.12Å; M342-L346 HydrophobicContact CG-CD1 3.82Å; M342-L346 HydrophobicContact CG-CG 4.39Å; M342-L346 WeakPolarHBondContact O-CB 3.47Å; M342-L346 WeakPolarHBondContact O-CG 3.4Å; M342-L346 PolarHBondContact O-N 3.06Å
343	K	96.2	Very high	95.3	Very high	93 Å²	93	61.6 Å²	61.6	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-43.1	176.5	-70.2	171.8	-173.7	166.8	0	111.9	T339 E340 S347	T339-K343 WeakPolarHBondContact O-CG 3.34Å; T339-K343 PolarHBondContact O-N 2.7Å; E340-K343 PolarHBondContact O-N 3.05Å; E340-K343 IonicContact OE1-NZ 3.51Å; E340-K343 PolarHBondContact OE1-NZ 2.85Å; K343-S347 VanDerWaalsContact O-CB 3.31Å; K343-S347 WeakPolarHBondContact O-CB 3.46Å; K343-S347 PolarHBondContact O-N 3.4Å; K343-S347 PolarHBondContact O-OG 3.21Å
344	N	96.3	Very high	95.5	Very high	109 Å²	109	59.8 Å²	59.8	58%	0.583	33%	0.331	S	S	*	.	H	α-helix	trans	-63.8	-47	179.4	-71.5	-21.9	0	0	0	111.5	E340 M342 S347 Q348	E340-N344 WeakPolarHBondContact O-CB 3.47Å; E340-N344 VanDerWaalsContact O-CG 3.22Å; E340-N344 PolarHBondContact O-N 3.18Å; E340-N344 PolarHBondContact O-ND2 3.44Å; M342-N344 VanDerWaalsContact C-N 3.3Å; M342-N344 PolarHBondContact O-N 3.16Å; N344-S347 PolarHBondContact O-N 3.31Å; N344-Q348 WeakPolarHBondContact O-CB 3.38Å; N344-Q348 PolarHBondContact O-N 3.41Å
345	L	96.3	Very high	95.6	Very high	13 Å²	13	63 Å²	63	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-47.1	178.4	179	59.6	0	0	0	112	R276 A310 L311 E341 M342 S347 Q348 M349	R276-L345 HydrophobicContact CG-CD1 4.39Å; A310-L345 HydrophobicContact CB-CB 4.18Å; A310-L345 HydrophobicContact CB-CD2 3.59Å; A310-L345 HydrophobicContact CB-CG 4.49Å; L311-L345 HydrophobicContact CB-CD2 4.24Å; L311-L345 HydrophobicContact CD1-CD2 4.16Å; E341-L345 WeakPolarHBondContact O-CB 3.48Å; E341-L345 PolarHBondContact O-N 2.84Å; M342-L345 PolarHBondContact O-N 3.12Å; L345-S347 VanDerWaalsContact C-N 3.27Å; L345-S347 PolarHBondContact O-N 3.33Å; L345-Q348 WeakPolarHBondContact O-CB 3.31Å; L345-Q348 PolarHBondContact O-N 3.16Å; L345-M349 HydrophobicContact CD1-CG 4.1Å; L345-M349 HydrophobicContact CD1-SD 3.86Å; L345-M349 HydrophobicContact CG-SD 4Å; L345-M349 WeakPolarHBondContact O-CG 3.02Å; L345-M349 PolarHBondContact O-N 3.08Å
346	L	97.6	Very high	95.8	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.063	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-38.7	-179.8	-66.4	171.5	0	0	0	111.3	V313 A314 M342 M349 G350 I351 V354	V313-L346 HydrophobicContact CG1-CD1 4.37Å; A314-L346 HydrophobicContact CB-CD2 3.92Å; M342-L346 HydrophobicContact CG-CD1 3.82Å; M342-L346 HydrophobicContact CG-CG 4.39Å; M342-L346 WeakPolarHBondContact O-CB 3.47Å; M342-L346 WeakPolarHBondContact O-CG 3.4Å; M342-L346 PolarHBondContact O-N 3.06Å; L346-M349 CarbonylContact O-C 3.59Å; L346-M349 PolarHBondContact O-N 3.31Å; L346-G350 PolarHBondContact O-N 2.75Å; L346-G350 VanDerWaalsContact O-N 3.08Å; L346-I351 HydrophobicContact CB-CB 4.41Å; L346-I351 HydrophobicContact CD2-CB 4.03Å; L346-I351 HydrophobicContact CD2-CD1 4.09Å; L346-I351 HydrophobicContact CD2-CG2 3.9Å; L346-I351 PolarHBondContact O-N 2.95Å; L346-V354 HydrophobicContact CD1-CB 3.83Å; L346-V354 HydrophobicContact CD1-CG1 3.82Å; L346-V354 HydrophobicContact CD1-CG2 3.83Å; L346-V354 HydrophobicContact CD2-CG2 4.03Å
347	S	96.8	Very high	95.9	Very high	90 Å²	90	58.5 Å²	58.5	63%	0.629	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-44.7	174.2	-58.2	0	0	0	0	111.7	K343 N344 L345 M349 G350	K343-S347 VanDerWaalsContact O-CB 3.31Å; K343-S347 WeakPolarHBondContact O-CB 3.46Å; K343-S347 PolarHBondContact O-N 3.4Å; K343-S347 PolarHBondContact O-OG 3.21Å; N344-S347 PolarHBondContact O-N 3.31Å; L345-S347 VanDerWaalsContact C-N 3.27Å; L345-S347 PolarHBondContact O-N 3.33Å; S347-M349 PolarHBondContact O-N 2.94Å; S347-G350 PolarHBondContact O-N 3.29Å
348	Q	95.2	Very high	96	Very high	112 Å²	112	59.8 Å²	59.8	52%	0.523	32%	0.32	S	S	.	.	H	α-helix	trans	-56.8	-39.5	174.8	-174.1	-173.2	19.7	0	0	111.6	T274 R276 N344 L345 G350	T274-Q348 PolarHBondContact O-NE2 2.89Å; R276-Q348 HydrophobicContact CG-CG 4.46Å; N344-Q348 WeakPolarHBondContact O-CB 3.38Å; N344-Q348 PolarHBondContact O-N 3.41Å; L345-Q348 WeakPolarHBondContact O-CB 3.31Å; L345-Q348 PolarHBondContact O-N 3.16Å; Q348-G350 VanDerWaalsContact C-N 3.31Å
349	M	96.8	Very high	96	Very high	15 Å²	15	58.9 Å²	58.9	7%	0.074	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2	179.9	-62.6	-177.3	73.6	0	0	113.6	W213 N215 R276 A314 L345 L346 S347 I351	W213-M349 HydrophobicContact CH2-CE 3.57Å; W213-M349 HydrophobicContact CZ2-CE 4.36Å; W213-M349 HydrophobicContact CZ3-CE 4.3Å; N215-M349 HydrophobicContact CB-CE 4.45Å; N215-M349 WeakPolarHBondContact ND2-CE 3.19Å; R276-M349 HydrophobicContact CB-CE 4.03Å; R276-M349 HydrophobicContact CB-CG 3.69Å; R276-M349 HydrophobicContact CB-SD 4.17Å; R276-M349 HydrophobicContact CG-CG 3.88Å; R276-M349 HydrophobicContact CG-SD 4.42Å; A314-M349 HydrophobicContact CB-CE 4.23Å; A314-M349 HydrophobicContact CB-SD 3.71Å; L345-M349 HydrophobicContact CD1-CG 4.1Å; L345-M349 HydrophobicContact CD1-SD 3.86Å; L345-M349 HydrophobicContact CG-SD 4Å; L345-M349 WeakPolarHBondContact O-CG 3.02Å; L345-M349 PolarHBondContact O-N 3.08Å; L346-M349 CarbonylContact O-C 3.59Å; L346-M349 PolarHBondContact O-N 3.31Å; S347-M349 PolarHBondContact O-N 2.94Å; M349-I351 HydrophobicContact CB-CD1 3.81Å; M349-I351 HydrophobicContact CB-CG1 3.86Å; M349-I351 HydrophobicContact CE-CD1 4.18Å; M349-I351 PolarHBondContact O-N 3.44Å; M349-I351 HydrophobicContact SD-CD1 4.2Å
350	G	96	Very high	96.1	Very high	50 Å²	50	59.2 Å²	59.2	52%	0.515	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	19.8	-176	0	0	0	0	0	114.4	L346 S347 Q348	L346-G350 PolarHBondContact O-N 2.75Å; L346-G350 VanDerWaalsContact O-N 3.08Å; S347-G350 PolarHBondContact O-N 3.29Å; Q348-G350 VanDerWaalsContact C-N 3.31Å
351	I	97.7	Very high	96.2	Very high	12 Å²	12	55 Å²	55	6%	0.062	31%	0.306	C	S	.	.			trans	-82.9	120.8	-177.9	-64.5	174.1	0	0	0	109.6	L217 A314 A317 V318 L346 M349 N353 V354	L217-I351 HydrophobicContact CD1-CG1 4.09Å; A314-I351 HydrophobicContact CB-CD1 3.67Å; A317-I351 HydrophobicContact CB-CG2 3.64Å; V318-I351 HydrophobicContact CG2-CD1 4.04Å; L346-I351 HydrophobicContact CB-CB 4.41Å; L346-I351 HydrophobicContact CD2-CB 4.03Å; L346-I351 HydrophobicContact CD2-CD1 4.09Å; L346-I351 HydrophobicContact CD2-CG2 3.9Å; L346-I351 PolarHBondContact O-N 2.95Å; M349-I351 HydrophobicContact CB-CD1 3.81Å; M349-I351 HydrophobicContact CB-CG1 3.86Å; M349-I351 HydrophobicContact CE-CD1 4.18Å; M349-I351 PolarHBondContact O-N 3.44Å; M349-I351 HydrophobicContact SD-CD1 4.2Å; I351-N353 VanDerWaalsContact CG2-OD1 3.31Å; I351-N353 WeakPolarHBondContact CG2-OD1 3.14Å; I351-V354 HydrophobicContact CG2-CG2 3.91Å
352	K	96.3	Very high	96.3	Very high	197 Å²	197	53.8 Å²	53.8	86%	0.857	30%	0.304	S	S	*	.			trans	-116.2	-8.5	-174.2	-61	179.3	-176.8	178.2	0	114.4	V354	K352-V354 VanDerWaalsContact C-N 3.28Å; K352-V354 PolarHBondContact O-N 2.69Å
353	N	97.8	Very high	96.2	Very high	31 Å²	31	57.9 Å²	57.9	17%	0.166	33%	0.333	C	S	.	.			trans	-91.3	29	-175.9	67.5	-37	0	0	0	113.2	A317 G325 R326 V327 I351	A317-N353 PolarHBondContact O-ND2 2.83Å; G325-N353 PolarHBondContact O-ND2 3.21Å; R326-N353 CarbonylContact C-O 3.56Å; R326-N353 WeakPolarHBondContact CA-O 3.4Å; R326-N353 WeakPolarHBondContact CB-O 3.28Å; V327-N353 PolarHBondContact N-O 3.49Å; I351-N353 VanDerWaalsContact CG2-OD1 3.31Å; I351-N353 WeakPolarHBondContact CG2-OD1 3.14Å
354	V	98.3	Very high	96.1	Very high	31 Å²	31	53.9 Å²	53.9	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.6	176.4	-176.8	0	0	0	0	109.8	V313 A317 V327 V329 L346 I351 K352	V313-V354 HydrophobicContact CG1-CG1 3.87Å; V313-V354 HydrophobicContact CG1-CG2 4.13Å; A317-V354 HydrophobicContact CB-CG2 3.66Å; V327-V354 HydrophobicContact CB-CG2 4.25Å; V327-V354 CarbonylContact O-C 3.54Å; V327-V354 WeakPolarHBondContact O-CA 3.45Å; V329-V354 HydrophobicContact CG2-CG1 4.37Å; L346-V354 HydrophobicContact CD1-CB 3.83Å; L346-V354 HydrophobicContact CD1-CG1 3.82Å; L346-V354 HydrophobicContact CD1-CG2 3.83Å; L346-V354 HydrophobicContact CD2-CG2 4.03Å; I351-V354 HydrophobicContact CG2-CG2 3.91Å; K352-V354 VanDerWaalsContact C-N 3.28Å; K352-V354 PolarHBondContact O-N 2.69Å
355	K	97.3	Very high	95.9	Very high	85 Å²	85	53 Å²	53	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.1	174.4	-175.2	-177.7	-179.1	-173.6	0	109.8	V327 L328 V329 L357	V327-K355 PolarHBondContact O-N 2.9Å; L328-K355 WeakPolarHBondContact CA-O 3.47Å; L328-K355 HydrophobicContact CD2-CB 3.9Å; L328-K355 HydrophobicContact CD2-CD 4.31Å; V329-K355 PolarHBondContact N-O 3.26Å; K355-L357 HydrophobicContact CD-CD2 3.99Å; K355-L357 HydrophobicContact CG-CD2 4.19Å
356	V	96.9	Very high	95.4	Very high	51 Å²	51	55.2 Å²	55.2	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.5	171.6	-174.2	0	0	0	0	108.8	V329 T339	V329-V356 CarbonylContact O-C 3.55Å; V329-V356 WeakPolarHBondContact O-CA 3.27Å; T339-V356 HydrophobicContact CG2-CG1 4.35Å
357	L	95.8	Very high	94.9	Very high	8 Å²	8	62.1 Å²	62.1	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.7	176.5	-56.7	178.8	0	0	0	109.5	L328 V329 G331 K355 A359 L364 A370	L328-L357 HydrophobicContact CB-CD1 4.48Å; V329-L357 PolarHBondContact O-N 3.06Å; G331-L357 WeakPolarHBondContact CA-O 3.47Å; G331-L357 PolarHBondContact N-O 3.21Å; K355-L357 HydrophobicContact CD-CD2 3.99Å; K355-L357 HydrophobicContact CG-CD2 4.19Å; L357-A359 PolarHBondContact O-N 3.17Å; L357-L364 HydrophobicContact CD1-CD1 4.21Å; L357-L364 HydrophobicContact CD1-CD2 4Å; L357-A370 HydrophobicContact CD2-CB 4.28Å
358	P	93.3	Very high	94.6	Very high	126 Å²	126	60.7 Å²	60.7	82%	0.818	33%	0.332	S	S	*	.	S	Bend	trans	-76.2	-2.7	-179.2	31.9	-36.2	0	0	0	113.9
359	A	93.4	Very high	94.4	Very high	31 Å²	31	59.8 Å²	59.8	26%	0.256	34%	0.338	S	S	.	.	S	Bend	trans	-96.2	156.6	-177.9	0	0	0	0	0	112.2	C330 L357 L364	C330-A359 CarbonylContact C-O 3.58Å; C330-A359 WeakPolarHBondContact CA-O 3.29Å; C330-A359 VanDerWaalsContact CB-O 3.22Å; C330-A359 WeakPolarHBondContact CB-O 3.33Å; L357-A359 PolarHBondContact O-N 3.17Å; A359-L364 HydrophobicContact CB-CD1 4.39Å
360	A	95.8	Very high	94.1	Very high	25 Å²	25	59.9 Å²	59.9	21%	0.207	34%	0.342	C	S	.	.			trans	-75.2	147.4	166	0	0	0	0	0	109.5	A332 D333 C362 S363 L364	A332-A360 HydrophobicContact CB-CB 4.18Å; D333-A360 WeakPolarHBondContact OD1-CA 3Å; D333-A360 VanDerWaalsContact OD1-CB 3.28Å; D333-A360 WeakPolarHBondContact OD1-CB 3.48Å; A360-C362 PolarHBondContact O-N 3.25Å; A360-S363 CarbonylContact O-C 3.51Å; A360-S363 PolarHBondContact O-N 3.39Å; A360-L364 PolarHBondContact O-N 3.5Å; A360-L364 VanDerWaalsContact O-N 3.17Å
361	F	97.4	Very high	94	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-58.7	-50.2	-174.8	174.1	-114.8	0	0	0	111.6	L303 A305 C330 D333 S363 L364 I377 L428 H431 A432 F435	L303-F361 HydrophobicContact CD1-CD2 4.21Å; L303-F361 HydrophobicContact CD1-CE2 4.24Å; L303-F361 HydrophobicContact CD2-CD2 3.53Å; L303-F361 HydrophobicContact CD2-CE2 3.41Å; L303-F361 VanDerWaalsContact CD2-CE2 3.41Å; L303-F361 HydrophobicContact CD2-CZ 4.34Å; L303-F361 HydrophobicContact CG-CE2 4.5Å; A305-F361 HydrophobicContact CB-CD1 3.66Å; A305-F361 HydrophobicContact CB-CD2 4.02Å; A305-F361 HydrophobicContact CB-CE1 3.67Å; A305-F361 HydrophobicContact CB-CE2 4.06Å; A305-F361 HydrophobicContact CB-CG 3.82Å; A305-F361 HydrophobicContact CB-CZ 3.87Å; C330-F361 HydrophobicContact CB-CB 4.01Å; C330-F361 VanDerWaalsContact SG-CA 3.53Å; D333-F361 PolarHBondContact OD1-N 3.28Å; D333-F361 WeakPolarHBondContact OD2-CA 3.41Å; D333-F361 WeakPolarHBondContact OD2-CB 3.29Å; D333-F361 PolarHBondContact OD2-N 2.77Å; F361-S363 PolarHBondContact O-N 3.25Å; F361-L364 VanDerWaalsContact O-CB 3.27Å; F361-L364 WeakPolarHBondContact O-CB 3.47Å; F361-L364 PolarHBondContact O-N 2.93Å; F361-I377 HydrophobicContact CE2-CD1 4.3Å; F361-I377 HydrophobicContact CZ-CD1 4.36Å; F361-I377 HydrophobicContact CZ-CG2 4.31Å; F361-L428 HydrophobicContact CD1-CD2 3.65Å; F361-L428 HydrophobicContact CE1-CD2 4.2Å; F361-L428 WeakPolarHBondContact CE1-O 3.41Å; F361-H431 HydrophobicContact CE1-CB 4.2Å; F361-H431 AromaticContact CE1-CD2 3.77Å; F361-H431 AromaticContact CE2-CD2 3.95Å; F361-H431 AromaticContact CZ-CD2 3.74Å; F361-H431 PolarHBondContact O-CD2 2.9Å; F361-H431 PolarHBondContact O-NE2 2.95Å; F361-A432 HydrophobicContact CZ-CB 4.01Å; F361-F435 AromaticContact CE2-CE2 3.85Å; F361-F435 HydrophobicContact CE2-CE2 3.85Å; F361-F435 HydrophobicContact CE2-CZ 4.12Å; F361-F435 HydrophobicContact CZ-CE2 4.13Å
362	C	95.3	Very high	93.7	Very high	34 Å²	34	61.4 Å²	61.4	23%	0.23	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-69.4	-4.6	-179.9	-66.1	0	0	0	0	114.6	A360	A360-C362 PolarHBondContact O-N 3.25Å
363	S	94	Very high	93.6	Very high	90 Å²	90	55.5 Å²	55.5	63%	0.629	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-108.2	-2.5	176	-55.7	0	0	0	0	111.9	A360 F361 N365	A360-S363 CarbonylContact O-C 3.51Å; A360-S363 PolarHBondContact O-N 3.39Å; F361-S363 PolarHBondContact O-N 3.25Å; S363-N365 PolarHBondContact O-N 3.35Å
364	L	94.1	Very high	93.6	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	30%	0.3	C	S	.	.	S	Bend	trans	-73.4	126.6	-178.6	-173	61.1	0	0	0	109.5	L303 L357 A359 A360 F361 E366 V371 H431 F435	L303-L364 HydrophobicContact CD1-CD2 3.88Å; L357-L364 HydrophobicContact CD1-CD1 4.21Å; L357-L364 HydrophobicContact CD1-CD2 4Å; A359-L364 HydrophobicContact CB-CD1 4.39Å; A360-L364 PolarHBondContact O-N 3.5Å; A360-L364 VanDerWaalsContact O-N 3.17Å; F361-L364 VanDerWaalsContact O-CB 3.27Å; F361-L364 WeakPolarHBondContact O-CB 3.47Å; F361-L364 PolarHBondContact O-N 2.93Å; L364-E366 PolarHBondContact O-N 3.4Å; L364-V371 HydrophobicContact CD2-CG1 3.64Å; L364-V371 HydrophobicContact CG-CG1 4.28Å; L364-H431 PolarHBondContact O-CE1 3.33Å; L364-H431 VanDerWaalsContact O-CE1 3.25Å; L364-H431 PolarHBondContact O-NE2 3.44Å; L364-F435 HydrophobicContact CB-CZ 4.4Å; L364-F435 HydrophobicContact CD2-CE1 4.17Å; L364-F435 HydrophobicContact CD2-CZ 4.1Å; L364-F435 HydrophobicContact CG-CE1 4.37Å; L364-F435 HydrophobicContact CG-CZ 4.34Å
365	N	90.9	Very high	93.6	Very high	91 Å²	91	55.7 Å²	55.7	49%	0.487	30%	0.304	S	S	.	.			trans	-71.1	126.4	176.7	-176.2	-7.6	0	0	0	109.9	S363 W367 D368	S363-N365 PolarHBondContact O-N 3.35Å; N365-W367 PolarHBondContact O-N 3.35Å; N365-W367 VanDerWaalsContact O-N 3.11Å; N365-W367 PolarHBondContact OD1-N 2.95Å; N365-D368 HydrophobicContact CB-CB 4.29Å; N365-D368 VanDerWaalsContact O-CB 3.25Å; N365-D368 WeakPolarHBondContact O-CB 3.5Å; N365-D368 PolarHBondContact O-N 2.96Å
366	E	87.4	Confident	93.6	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.1	179.1	-60.2	136.1	-170.8	0	0	113.4	L364 H431 S434 F435 P436	L364-E366 PolarHBondContact O-N 3.4Å; E366-H431 IonicContact OE1-CE1 3.95Å; E366-H431 IonicContact OE1-ND1 3.1Å; E366-S434 VanDerWaalsContact CG-OG 3.26Å; E366-S434 WeakPolarHBondContact CG-OG 3.2Å; E366-S434 VanDerWaalsContact OE1-CB 3.25Å; E366-S434 WeakPolarHBondContact OE1-CB 3.45Å; E366-S434 PolarHBondContact OE1-OG 3.29Å; E366-F435 HydrophobicContact CB-CD1 4.27Å; E366-F435 HydrophobicContact CG-CD1 4.42Å; E366-F435 HydrophobicContact CG-CG 4.41Å; E366-P436 WeakPolarHBondContact O-CD 3.46Å
367	W	86.7	Confident	93.7	Very high	156 Å²	156	49.2 Å²	49.2	59%	0.591	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	5.3	-178.9	-54.8	92.8	0	0	0	113.2	N365 S369 P436	N365-W367 PolarHBondContact O-N 3.35Å; N365-W367 VanDerWaalsContact O-N 3.11Å; N365-W367 PolarHBondContact OD1-N 2.95Å; W367-S369 PolarHBondContact O-N 3.3Å; W367-P436 HydrophobicContact CD2-CG 4.11Å; W367-P436 HydrophobicContact CE3-CG 3.85Å; W367-P436 HydrophobicContact CH2-CB 3.69Å; W367-P436 HydrophobicContact CH2-CG 3.77Å; W367-P436 HydrophobicContact CZ2-CB 4.15Å; W367-P436 HydrophobicContact CZ2-CG 4.01Å; W367-P436 HydrophobicContact CZ3-CB 3.94Å; W367-P436 HydrophobicContact CZ3-CG 3.69Å
368	D	90.1	Very high	93.8	Very high	60 Å²	60	49 Å²	49	32%	0.321	27%	0.271	S	S	.	.			trans	-61.9	135.5	178.9	-164.4	-43.3	0	0	0	111	N365 A370 V371 H372	N365-D368 HydrophobicContact CB-CB 4.29Å; N365-D368 VanDerWaalsContact O-CB 3.25Å; N365-D368 WeakPolarHBondContact O-CB 3.5Å; N365-D368 PolarHBondContact O-N 2.96Å; D368-A370 PolarHBondContact O-N 3.01Å; D368-A370 VanDerWaalsContact O-N 3.16Å; D368-A370 VanDerWaalsContact OD1-CB 3.31Å; D368-A370 WeakPolarHBondContact OD1-CB 3.38Å; D368-A370 PolarHBondContact OD1-N 2.9Å; D368-V371 HydrophobicContact CB-CG2 4.17Å; D368-V371 WeakPolarHBondContact O-CG2 3.21Å; D368-V371 PolarHBondContact O-N 3.24Å; D368-H372 PolarHBondContact O-N 2.7Å
369	S	90.5	Very high	94.1	Very high	94 Å²	94	43 Å²	43	66%	0.657	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-54.7	-29	171.6	69.8	0	0	0	0	112.8	W367 V371 H372	W367-S369 PolarHBondContact O-N 3.3Å; S369-V371 PolarHBondContact O-N 2.75Å; S369-H372 WeakPolarHBondContact O-CB 3.38Å; S369-H372 PolarHBondContact O-N 3.25Å; S369-H372 PolarHBondContact O-ND1 3.49Å
370	A	91.3	Very high	94.3	Very high	17 Å²	17	42 Å²	42	14%	0.14	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62.8	-27.6	177	0	0	0	0	0	113	L357 D368	L357-A370 HydrophobicContact CD2-CB 4.28Å; D368-A370 PolarHBondContact O-N 3.01Å; D368-A370 VanDerWaalsContact O-N 3.16Å; D368-A370 VanDerWaalsContact OD1-CB 3.31Å; D368-A370 WeakPolarHBondContact OD1-CB 3.38Å; D368-A370 PolarHBondContact OD1-N 2.9Å
371	V	93.5	Very high	94.3	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.024	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-107.6	12.7	179.2	-62.1	0	0	0	0	113.2	L328 L364 D368 S369 R373 L374 F435	L328-V371 HydrophobicContact CD1-CG1 4.13Å; L364-V371 HydrophobicContact CD2-CG1 3.64Å; L364-V371 HydrophobicContact CG-CG1 4.28Å; D368-V371 HydrophobicContact CB-CG2 4.17Å; D368-V371 WeakPolarHBondContact O-CG2 3.21Å; D368-V371 PolarHBondContact O-N 3.24Å; S369-V371 PolarHBondContact O-N 2.75Å; V371-R373 PolarHBondContact O-N 2.98Å; V371-L374 HydrophobicContact CB-CB 3.97Å; V371-L374 HydrophobicContact CB-CD2 4.02Å; V371-L374 HydrophobicContact CG1-CD2 4.09Å; V371-L374 WeakPolarHBondContact O-CB 3.39Å; V371-L374 PolarHBondContact O-N 2.63Å; V371-F435 HydrophobicContact CB-CE1 4.48Å; V371-F435 HydrophobicContact CG1-CE1 4.36Å; V371-F435 HydrophobicContact CG2-CD1 4.2Å; V371-F435 HydrophobicContact CG2-CE1 4.09Å
372	H	91.8	Very high	94.3	Very high	89 Å²	89	44.1 Å²	44.1	41%	0.412	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.2	-176.8	78.6	-76.1	0	0	0	114.8	D368 S369 K437	D368-H372 PolarHBondContact O-N 2.7Å; S369-H372 WeakPolarHBondContact O-CB 3.38Å; S369-H372 PolarHBondContact O-N 3.25Å; S369-H372 PolarHBondContact O-ND1 3.49Å; H372-K437 WeakPolarHBondContact O-CD 3.45Å; H372-K437 PolarHBondContact O-NZ 3.26Å
373	R	95.1	Very high	94.4	Very high	74 Å²	74	42.8 Å²	42.8	28%	0.279	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	0.5	176.2	-83.8	170.5	69.6	-169.6	-3	113.1	K299 D301 V371 K375	K299-R373 PolarHBondContact O-NE 3.23Å; K299-R373 PolarHBondContact O-NH2 3.1Å; D301-R373 HydrophobicContact CB-CB 4.3Å; D301-R373 PolarHBondContact N-O 3.3Å; D301-R373 IonicContact OD1-CZ 2.67Å; D301-R373 IonicContact OD1-NH2 3.43Å; D301-R373 WeakPolarHBondContact OD2-CB 3.47Å; V371-R373 PolarHBondContact O-N 2.98Å; R373-K375 PolarHBondContact O-N 2.86Å
374	L	97.5	Very high	94.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	120.9	-178.3	-176.3	57.4	0	0	0	110.4	L303 L328 V371 V376 I377 F435 K437 V438	L303-L374 HydrophobicContact CB-CD1 3.49Å; L303-L374 VanDerWaalsContact CB-CD1 3.49Å; L303-L374 HydrophobicContact CB-CD2 4.1Å; L303-L374 HydrophobicContact CB-CG 4.45Å; L303-L374 HydrophobicContact CD1-CD2 4.1Å; L328-L374 HydrophobicContact CD1-CD1 4.45Å; V371-L374 HydrophobicContact CB-CB 3.97Å; V371-L374 HydrophobicContact CB-CD2 4.02Å; V371-L374 HydrophobicContact CG1-CD2 4.09Å; V371-L374 WeakPolarHBondContact O-CB 3.39Å; V371-L374 PolarHBondContact O-N 2.63Å; L374-V376 VanDerWaalsContact CD1-O 3.3Å; L374-V376 WeakPolarHBondContact CD1-O 3.49Å; L374-I377 HydrophobicContact CD1-CG1 4.28Å; L374-I377 HydrophobicContact CD2-CD1 4Å; L374-I377 HydrophobicContact CD2-CG1 4.06Å; L374-I377 HydrophobicContact CG-CG1 4.32Å; L374-F435 HydrophobicContact CD2-CD1 3.87Å; L374-F435 HydrophobicContact CD2-CE1 4.13Å; L374-F435 HydrophobicContact CD2-CG 4.31Å; L374-K437 CarbonylContact O-C 3.21Å; L374-V438 HydrophobicContact CD2-CG2 4.01Å; L374-V438 HydrophobicContact CG-CG2 3.76Å
375	K	97.2	Very high	94.7	Very high	63 Å²	63	38.2 Å²	38.2	27%	0.274	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-29.8	-179.5	-65.5	-58.4	-175.7	176.3	0	113.3	F297 D301 R373 K437 V438 Q439 T440	F297-K375 HydrophobicContact CB-CB 4.26Å; F297-K375 HydrophobicContact CB-CG 4.08Å; F297-K375 HydrophobicContact CD2-CB 3.5Å; F297-K375 HydrophobicContact CD2-CG 4.07Å; F297-K375 HydrophobicContact CE2-CB 4.07Å; F297-K375 HydrophobicContact CG-CB 4.01Å; F297-K375 HydrophobicContact CG-CG 4.04Å; D301-K375 PolarHBondContact O-N 2.93Å; R373-K375 PolarHBondContact O-N 2.86Å; K375-K437 WeakPolarHBondContact CD-O 3.39Å; K375-V438 WeakPolarHBondContact O-CA 3.39Å; K375-Q439 HydrophobicContact CD-CG 4.3Å; K375-Q439 PolarHBondContact O-N 2.91Å; K375-T440 PolarHBondContact O-N 2.9Å
376	V	97.9	Very high	94.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135	-177.5	-176.2	0	0	0	0	109.8	V295 L296 F297 D301 V302 L303 L374 V378 T440	V295-V376 VanDerWaalsContact O-CG2 3.31Å; V295-V376 WeakPolarHBondContact O-CG2 3.15Å; L296-V376 HydrophobicContact CD2-CB 4.49Å; L296-V376 HydrophobicContact CD2-CG2 4.24Å; F297-V376 HydrophobicContact CD2-CG2 4.17Å; F297-V376 HydrophobicContact CE2-CG2 4.32Å; D301-V376 PolarHBondContact O-N 3.36Å; V302-V376 CarbonylContact C-O 3.53Å; V302-V376 VanDerWaalsContact CA-O 3.29Å; V302-V376 WeakPolarHBondContact CA-O 3.32Å; V302-V376 HydrophobicContact CG1-CB 4.31Å; V302-V376 HydrophobicContact CG1-CG1 4.36Å; V302-V376 HydrophobicContact CG2-CB 4.36Å; L303-V376 PolarHBondContact N-O 3.26Å; L374-V376 VanDerWaalsContact CD1-O 3.3Å; L374-V376 WeakPolarHBondContact CD1-O 3.49Å; V376-V378 HydrophobicContact CG1-CG2 4.32Å; V376-T440 VanDerWaalsContact CA-O 3.28Å; V376-T440 WeakPolarHBondContact CA-O 3.48Å
377	I	98.5	Very high	95.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.7	167.9	-57.6	-176.7	0	0	0	108.4	L303 A305 F361 L374 V379 A432 F435 V438 T440 V441 V442	L303-I377 HydrophobicContact CB-CG1 4.27Å; L303-I377 HydrophobicContact CD2-CG2 3.96Å; L303-I377 CarbonylContact O-C 3.47Å; L303-I377 WeakPolarHBondContact O-CA 3.44Å; A305-I377 HydrophobicContact CB-CG2 4.43Å; F361-I377 HydrophobicContact CE2-CD1 4.3Å; F361-I377 HydrophobicContact CZ-CD1 4.36Å; F361-I377 HydrophobicContact CZ-CG2 4.31Å; L374-I377 HydrophobicContact CD1-CG1 4.28Å; L374-I377 HydrophobicContact CD2-CD1 4Å; L374-I377 HydrophobicContact CD2-CG1 4.06Å; L374-I377 HydrophobicContact CG-CG1 4.32Å; I377-V379 HydrophobicContact CG2-CG2 3.89Å; I377-A432 HydrophobicContact CB-CB 4.31Å; I377-A432 HydrophobicContact CD1-CB 4.06Å; I377-A432 HydrophobicContact CG2-CB 3.92Å; I377-F435 HydrophobicContact CD1-CB 4.46Å; I377-F435 HydrophobicContact CD1-CD2 3.54Å; I377-F435 HydrophobicContact CD1-CE2 3.94Å; I377-F435 HydrophobicContact CD1-CG 4.02Å; I377-V438 HydrophobicContact CD1-CG2 3.78Å; I377-V438 HydrophobicContact CG1-CG1 4.24Å; I377-V438 HydrophobicContact CG1-CG2 3.78Å; I377-T440 PolarHBondContact N-O 3.34Å; I377-V441 HydrophobicContact CB-CG2 4.4Å; I377-V441 CarbonylContact O-C 3.6Å; I377-V441 VanDerWaalsContact O-CA 3.28Å; I377-V441 WeakPolarHBondContact O-CA 3.37Å; I377-V442 PolarHBondContact O-N 2.96Å
378	V	98.3	Very high	95.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.5	172.1	-176.9	0	0	0	0	107.8	V302 L303 L304 A305 V376 L380 V442	V302-V378 HydrophobicContact CG1-CG2 4.11Å; L303-V378 PolarHBondContact O-N 2.94Å; L304-V378 HydrophobicContact CD2-CB 3.7Å; L304-V378 HydrophobicContact CD2-CG1 3.96Å; A305-V378 PolarHBondContact N-O 3.46Å; V376-V378 HydrophobicContact CG1-CG2 4.32Å; V378-L380 HydrophobicContact CG1-CD2 4Å; V378-L380 HydrophobicContact CG1-CG 4.05Å; V378-V442 CarbonylContact C-O 3.5Å; V378-V442 WeakPolarHBondContact CA-O 3.09Å; V378-V442 HydrophobicContact CG1-CB 4.45Å; V378-V442 HydrophobicContact CG2-CB 4.34Å
379	V	98.5	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	109.5	-178.4	-171.1	0	0	0	0	108.4	A305 I377 P381 L428 A432 V441 V442 Y443 C444	A305-V379 WeakPolarHBondContact O-CA 3.17Å; I377-V379 HydrophobicContact CG2-CG2 3.89Å; V379-P381 WeakPolarHBondContact O-CD 3.33Å; V379-L428 HydrophobicContact CG1-CB 4Å; V379-A432 HydrophobicContact CG2-CB 3.76Å; V379-V441 HydrophobicContact CG2-CG1 3.82Å; V379-V442 PolarHBondContact N-O 3.4Å; V379-Y443 HydrophobicContact CB-CD2 4.08Å; V379-Y443 HydrophobicContact CG1-CD2 3.95Å; V379-Y443 HydrophobicContact CG1-CE2 4.34Å; V379-C444 PolarHBondContact O-N 2.82Å
380	L	97.8	Very high	96.3	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.052	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	70.5	177.2	-58	179.4	0	0	0	108.5	A288 L304 A305 G306 S307 F308 T312 V378 C444	A288-L380 HydrophobicContact CB-CD2 3.93Å; L304-L380 HydrophobicContact CD2-CD1 4.17Å; A305-L380 PolarHBondContact O-N 3.43Å; G306-L380 CarbonylContact C-O 3.45Å; G306-L380 WeakPolarHBondContact CA-O 3.39Å; S307-L380 PolarHBondContact N-O 3.24Å; F308-L380 HydrophobicContact CB-CD1 3.91Å; F308-L380 HydrophobicContact CD1-CB 4.32Å; F308-L380 HydrophobicContact CD1-CD1 4.35Å; F308-L380 HydrophobicContact CG-CD1 4.41Å; T312-L380 HydrophobicContact CG2-CD1 3.63Å; V378-L380 HydrophobicContact CG1-CD2 4Å; V378-L380 HydrophobicContact CG1-CG 4.05Å; L380-C444 HydrophobicContact CD2-CB 3.75Å
381	P	97.3	Very high	96.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	9%	0.089	C	C	.	.			trans	-69.6	161.4	-173.1	36.1	-37.8	0	0	0	111.4	V379 C383 Q425 L428 Y443 C444 T445	V379-P381 WeakPolarHBondContact O-CD 3.33Å; P381-C383 PolarHBondContact O-N 2.99Å; P381-Q425 HydrophobicContact CB-CB 4.41Å; P381-Q425 HydrophobicContact CB-CG 3.67Å; P381-Q425 HydrophobicContact CG-CG 3.83Å; P381-L428 HydrophobicContact CB-CD1 3.8Å; P381-Y443 HydrophobicContact CG-CE2 3.7Å; P381-C444 VanDerWaalsContact CD-O 3.27Å; P381-C444 WeakPolarHBondContact CD-O 3.24Å; P381-T445 HydrophobicContact CG-CG2 4.43Å
382	Q	96.5	Very high	96.6	Very high	69 Å²	69	18.6 Å²	18.6	32%	0.322	9%	0.088	S	C	.	.			trans	-58.2	137.3	159	-71.7	-169.1	-20.7	0	0	109.2	L421 Q425	Q382-L421 HydrophobicContact CB-CD2 4.32Å; Q382-Q425 PolarHBondContact O-NE2 3.39Å
383	C	97.3	Very high	96.6	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.034	8%	0.08	C	C	.	.			trans	-145.6	169.8	-177.8	57.2	0	0	0	0	110.1	P381 S385 L404 R446 E452	P381-C383 PolarHBondContact O-N 2.99Å; C383-S385 PolarHBondContact O-N 2.89Å; C383-S385 PolarHBondContact O-OG 3.49Å; C383-L404 WeakPolarHBondContact O-CD1 3.32Å; C383-R446 PolarHBondContact SG-N 3.13Å; C383-E452 WeakPolarHBondContact CA-OE1 3.36Å; C383-E452 VanDerWaalsContact CB-OE1 3.28Å; C383-E452 WeakPolarHBondContact CB-OE1 3.44Å
384	S	97.2	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.			trans	-57	-21	-177.5	58.5	0	0	0	0	114.7	S386 S447 E452	S384-S386 PolarHBondContact O-N 3.48Å; S384-S386 VanDerWaalsContact O-N 3.11Å; S384-S386 WeakPolarHBondContact OG-CB 3.36Å; S384-S386 PolarHBondContact OG-N 3.36Å; S384-S386 PolarHBondContact OG-OG 3.13Å; S384-S447 WeakPolarHBondContact OG-CB 3.33Å; S384-S447 PolarHBondContact OG-OG 3.43Å; S384-E452 WeakPolarHBondContact CB-OE2 3.27Å; S384-E452 PolarHBondContact N-OE1 3.37Å; S384-E452 PolarHBondContact OG-OE2 3.39Å
385	S	96.9	Very high	96.4	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.028	7%	0.069	C	C	.	.			trans	57.5	22.1	-172.7	-56.8	0	0	0	0	112.8	C383 A387 L388 R446	C383-S385 PolarHBondContact O-N 2.89Å; C383-S385 PolarHBondContact O-OG 3.49Å; S385-A387 PolarHBondContact O-N 3.28Å; S385-L388 WeakPolarHBondContact O-CB 3.25Å; S385-L388 PolarHBondContact O-N 3.21Å; S385-L388 VanDerWaalsContact O-N 3.1Å; S385-R446 CarbonylContact C-O 3.55Å; S385-R446 WeakPolarHBondContact CA-O 3.21Å
386	S	96.4	Very high	96.2	Very high	13 Å²	13	11.2 Å²	11.2	9%	0.091	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17	-176.7	60.4	0	0	0	0	113.3	K201 S384 R446 S447 V448	K201-S386 PolarHBondContact NZ-O 3.3Å; S384-S386 PolarHBondContact O-N 3.48Å; S384-S386 VanDerWaalsContact O-N 3.11Å; S384-S386 WeakPolarHBondContact OG-CB 3.36Å; S384-S386 PolarHBondContact OG-N 3.36Å; S384-S386 PolarHBondContact OG-OG 3.13Å; S386-R446 PolarHBondContact N-O 3.16Å; S386-S447 WeakPolarHBondContact OG-CA 3.42Å; S386-S447 PolarHBondContact OG-OG 2.93Å; S386-S447 VanDerWaalsContact OG-OG 3.09Å; S386-V448 PolarHBondContact OG-N 3.41Å
387	A	96.7	Very high	95.9	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.008	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.6	175.3	0	0	0	0	0	113.8	S385 R446 V448 P499 G505	S385-A387 PolarHBondContact O-N 3.28Å; A387-R446 VanDerWaalsContact CB-O 3.23Å; A387-R446 WeakPolarHBondContact CB-O 3.49Å; A387-R446 PolarHBondContact N-O 3.44Å; A387-V448 HydrophobicContact CB-CG1 3.7Å; A387-P499 HydrophobicContact CB-CG 4.21Å; A387-P499 WeakPolarHBondContact O-CG 3.31Å; A387-G505 VanDerWaalsContact CB-O 3.29Å; A387-G505 WeakPolarHBondContact CB-O 3.46Å; A387-G505 PolarHBondContact O-N 3.48Å
388	L	96.1	Very high	95.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.081	C	C	.	.			trans	-80.5	137.6	175.8	-56.3	-175.4	0	0	0	110.8	K201 S385 P391 T394 R446 N504	K201-L388 PolarHBondContact NZ-O 2.71Å; K201-L388 VanDerWaalsContact NZ-O 3.09Å; S385-L388 WeakPolarHBondContact O-CB 3.25Å; S385-L388 PolarHBondContact O-N 3.21Å; S385-L388 VanDerWaalsContact O-N 3.1Å; L388-P391 HydrophobicContact CB-CB 4.24Å; L388-P391 HydrophobicContact CD1-CB 4.16Å; L388-T394 HydrophobicContact CD1-CG2 4.12Å; L388-T394 HydrophobicContact CD2-CG2 4.47Å; L388-R446 HydrophobicContact CD2-CB 4.2Å; L388-R446 HydrophobicContact CD2-CG 4.38Å; L388-R446 HydrophobicContact CG-CB 4.44Å; L388-N504 HydrophobicContact CD2-CB 3.77Å
389	N	95.6	Very high	95.4	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.043	9%	0.089	C	C	.	.	S	Bend	trans	-74.2	-41	172.1	-67.2	-67.8	0	0	0	110.9	R204 A205 L208 S500 T503 N504	R204-N389 HydrophobicContact CB-CB 4.24Å; R204-N389 WeakPolarHBondContact CB-OD1 3.38Å; R204-N389 WeakPolarHBondContact CD-OD1 3.32Å; A205-N389 HydrophobicContact CB-CB 4.16Å; L208-N389 HydrophobicContact CD1-CB 3.49Å; L208-N389 VanDerWaalsContact CD1-CB 3.49Å; L208-N389 VanDerWaalsContact CD1-ND2 3.34Å; L208-N389 WeakPolarHBondContact CD1-ND2 3.49Å; N389-S500 PolarHBondContact ND2-O 3.26Å; N389-T503 PolarHBondContact ND2-O 3.14Å; N389-T503 VanDerWaalsContact ND2-O 3.15Å; N389-N504 PolarHBondContact N-OD1 2.91Å; N389-N504 PolarHBondContact ND2-OD1 3.13Å
390	D	94.8	Very high	95.1	Very high	41 Å²	41	16 Å²	16	22%	0.219	9%	0.094	C	C	.	.	S	Bend	trans	-129.5	111.7	166.4	-172.2	-15.8	0	0	0	108.7	Q96 A205 V392	Q96-D390 PolarHBondContact NE2-OD1 3.05Å; Q96-D390 PolarHBondContact NE2-OD2 2.87Å; Q96-D390 PolarHBondContact OE1-OD2 3.39Å; A205-D390 HydrophobicContact CB-CB 3.88Å; D390-V392 PolarHBondContact OD1-N 3.29Å
391	P	95.5	Very high	94.9	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.032	10%	0.103	C	C	.	.	H	α-helix	trans	-77.2	-22.7	-171.6	32.5	-37	0	0	0	113.5	F99 L388 A393 T394 M395 L405 L408	F99-P391 HydrophobicContact CE1-CG 3.82Å; F99-P391 HydrophobicContact CE2-CG 4.16Å; F99-P391 HydrophobicContact CZ-CG 3.61Å; L388-P391 HydrophobicContact CB-CB 4.24Å; L388-P391 HydrophobicContact CD1-CB 4.16Å; P391-A393 PolarHBondContact O-N 3.25Å; P391-T394 PolarHBondContact O-N 2.93Å; P391-M395 HydrophobicContact CB-CG 4.42Å; P391-M395 HydrophobicContact CB-SD 3.67Å; P391-M395 VanDerWaalsContact O-CB 3.27Å; P391-M395 WeakPolarHBondContact O-CB 3.29Å; P391-M395 WeakPolarHBondContact O-CG 3.48Å; P391-M395 PolarHBondContact O-N 2.87Å; P391-L405 HydrophobicContact CG-CD2 4.15Å; P391-L408 HydrophobicContact CB-CD1 3.85Å; P391-L408 HydrophobicContact CG-CB 4.45Å; P391-L408 HydrophobicContact CG-CD1 3.97Å
392	V	95.8	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-46.8	-166.4	174.1	0	0	0	0	112.1	Q96 F99 D390 H396 W402 L405	Q96-V392 HydrophobicContact CB-CG1 4.21Å; F99-V392 HydrophobicContact CB-CG2 3.71Å; F99-V392 HydrophobicContact CD1-CG2 3.65Å; F99-V392 HydrophobicContact CE1-CG2 4.46Å; F99-V392 HydrophobicContact CG-CG2 3.79Å; D390-V392 PolarHBondContact OD1-N 3.29Å; V392-H396 VanDerWaalsContact O-CB 3.3Å; V392-H396 WeakPolarHBondContact O-CB 3.44Å; V392-H396 PolarHBondContact O-N 3.47Å; V392-W402 HydrophobicContact CG1-CH2 4.42Å; V392-W402 HydrophobicContact CG1-CZ3 4.31Å; V392-L405 HydrophobicContact CG2-CD2 4.28Å
393	A	92.1	Very high	94.6	Very high	30 Å²	30	18.7 Å²	18.7	25%	0.248	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-47.2	-176.3	0	0	0	0	0	112.4	P391 H396 S397	P391-A393 PolarHBondContact O-N 3.25Å; A393-H396 PolarHBondContact O-N 3.1Å; A393-S397 PolarHBondContact O-N 2.93Å; A393-S397 VanDerWaalsContact O-N 3.1Å; A393-S397 PolarHBondContact O-OG 3.05Å
394	T	93.8	Very high	94.5	Very high	9 Å²	9	18.5 Å²	18.5	6%	0.055	11%	0.11	C	C	.	.	H	α-helix	trans	-74.7	-36.2	-177.5	-48.4	0	0	0	0	111.6	D282 L388 P391 H396 S397 E398	D282-T394 HydrophobicContact CB-CG2 4.02Å; L388-T394 HydrophobicContact CD1-CG2 4.12Å; L388-T394 HydrophobicContact CD2-CG2 4.47Å; P391-T394 PolarHBondContact O-N 2.93Å; T394-H396 VanDerWaalsContact C-N 3.31Å; T394-H396 PolarHBondContact O-N 3.29Å; T394-S397 PolarHBondContact O-N 3.4Å; T394-S397 PolarHBondContact O-OG 3.3Å; T394-E398 HydrophobicContact CG2-CG 4.25Å; T394-E398 WeakPolarHBondContact O-CB 2.86Å; T394-E398 PolarHBondContact O-N 3.33Å
395	M	95	Very high	94.5	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-36.1	173.1	-70.7	173.1	69.2	0	0	111.7	P391 H399 G400 D401 W402 L405 L408	P391-M395 HydrophobicContact CB-CG 4.42Å; P391-M395 HydrophobicContact CB-SD 3.67Å; P391-M395 VanDerWaalsContact O-CB 3.27Å; P391-M395 WeakPolarHBondContact O-CB 3.29Å; P391-M395 WeakPolarHBondContact O-CG 3.48Å; P391-M395 PolarHBondContact O-N 2.87Å; M395-H399 PolarHBondContact O-N 2.95Å; M395-G400 PolarHBondContact O-N 3.49Å; M395-D401 WeakPolarHBondContact CE-O 3.42Å; M395-W402 HydrophobicContact CB-CE3 4.35Å; M395-W402 HydrophobicContact CB-CH2 4.09Å; M395-W402 HydrophobicContact CB-CZ3 3.94Å; M395-W402 HydrophobicContact CE-CE3 4.09Å; M395-L405 HydrophobicContact CE-CD2 4.19Å; M395-L405 HydrophobicContact CE-CG 4.45Å; M395-L405 HydrophobicContact SD-CD2 3.9Å; M395-L408 HydrophobicContact SD-CD1 4.1Å
396	H	92.5	Very high	94.4	Very high	32 Å²	32	18.9 Å²	18.9	15%	0.148	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-50.2	173.8	-171.6	-99.5	0	0	0	111.8	K88 Q91 V392 A393 T394 W402	K88-H396 PolarHBondContact O-CE1 3.41Å; Q91-H396 PolarHBondContact OE1-NE2 2.88Å; V392-H396 VanDerWaalsContact O-CB 3.3Å; V392-H396 WeakPolarHBondContact O-CB 3.44Å; V392-H396 PolarHBondContact O-N 3.47Å; A393-H396 PolarHBondContact O-N 3.1Å; T394-H396 VanDerWaalsContact C-N 3.31Å; T394-H396 PolarHBondContact O-N 3.29Å; H396-W402 VanDerWaalsContact CA-CZ2 3.49Å; H396-W402 HydrophobicContact CB-CH2 3.71Å; H396-W402 HydrophobicContact CB-CZ2 3.89Å; H396-W402 AromaticContact CD2-CZ2 3.92Å
397	S	90.8	Very high	94.4	Very high	51 Å²	51	18.8 Å²	18.8	36%	0.357	11%	0.11	S	C	.	.	H	α-helix	trans	-71	-44.4	-176.7	60.9	0	0	0	0	112.4	S309 A393 T394	S309-S397 WeakPolarHBondContact CB-O 3.44Å; A393-S397 PolarHBondContact O-N 2.93Å; A393-S397 VanDerWaalsContact O-N 3.1Å; A393-S397 PolarHBondContact O-OG 3.05Å; T394-S397 PolarHBondContact O-N 3.4Å; T394-S397 PolarHBondContact O-OG 3.3Å
398	E	94.4	Very high	94.4	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.014	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	25.7	-172.2	-59.1	-61.2	142.3	0	0	113.4	Q281 V285 S307 F308 S309 T312 T394 G400	Q281-E398 PolarHBondContact NE2-OE1 3.02Å; V285-E398 HydrophobicContact CG2-CG 4.03Å; S307-E398 PolarHBondContact OG-O 3.43Å; F308-E398 WeakPolarHBondContact CA-OE2 3.41Å; S309-E398 WeakPolarHBondContact CB-OE1 3.25Å; S309-E398 PolarHBondContact N-OE2 2.92Å; S309-E398 PolarHBondContact OG-OE1 3.08Å; S309-E398 PolarHBondContact OG-OE2 3.42Å; T312-E398 VanDerWaalsContact OG1-CD 3.24Å; T312-E398 PolarHBondContact OG1-OE1 3.37Å; T312-E398 VanDerWaalsContact OG1-OE1 3.1Å; T312-E398 PolarHBondContact OG1-OE2 3.1Å; T394-E398 HydrophobicContact CG2-CG 4.25Å; T394-E398 WeakPolarHBondContact O-CB 2.86Å; T394-E398 PolarHBondContact O-N 3.33Å; E398-G400 VanDerWaalsContact C-N 3.32Å; E398-G400 PolarHBondContact O-N 3.45Å
399	H	92.4	Very high	94.3	Very high	39 Å²	39	19.2 Å²	19.2	18%	0.181	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	47	174.6	-52.6	-42.9	0	0	0	113.6	S307 F308 M395	S307-H399 WeakPolarHBondContact OG-CB 3.28Å; S307-H399 PolarHBondContact OG-O 2.93Å; F308-H399 PolarHBondContact O-CD2 3.21Å; M395-H399 PolarHBondContact O-N 2.95Å
400	G	92.4	Very high	94.2	Very high	11 Å²	11	21.5 Å²	21.5	11%	0.113	12%	0.123	C	C	.	.			trans	-71.4	165.2	177.2	0	0	0	0	0	113.5	M395 E398 W402	M395-G400 PolarHBondContact O-N 3.49Å; E398-G400 VanDerWaalsContact C-N 3.32Å; E398-G400 PolarHBondContact O-N 3.45Å; G400-W402 PolarHBondContact O-N 2.75Å
401	D	93	Very high	94	Very high	46 Å²	46	21.2 Å²	21.2	25%	0.246	13%	0.129	C	C	.	.			trans	-84.1	100.7	-179.9	176.6	15.8	0	0	0	112.4	M395 S403 L404	M395-D401 WeakPolarHBondContact CE-O 3.42Å; D401-S403 PolarHBondContact O-N 3.49Å; D401-S403 VanDerWaalsContact O-N 3.08Å; D401-S403 WeakPolarHBondContact OD1-CB 3.22Å; D401-S403 PolarHBondContact OD1-N 3.29Å; D401-S403 PolarHBondContact OD1-OG 2.79Å; D401-S403 VanDerWaalsContact OD1-OG 3.05Å; D401-S403 PolarHBondContact OD2-OG 2.83Å; D401-L404 HydrophobicContact CB-CD1 4Å; D401-L404 HydrophobicContact CB-CG 4.13Å; D401-L404 WeakPolarHBondContact O-CB 3.42Å; D401-L404 WeakPolarHBondContact O-CG 3.46Å; D401-L404 PolarHBondContact O-N 3.32Å
402	W	93.7	Very high	93.8	Very high	44 Å²	44	24.5 Å²	24.5	17%	0.167	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57	-21.6	177.4	-60.3	113.7	0	0	0	114.7	Y95 V392 M395 H396 G400 L404 L405	Y95-W402 AromaticContact CD1-CD2 3.98Å; Y95-W402 HydrophobicContact CD1-CD2 3.98Å; Y95-W402 AromaticContact CD1-CE3 3.66Å; Y95-W402 HydrophobicContact CD1-CE3 3.66Å; Y95-W402 HydrophobicContact CD1-CH2 4.36Å; Y95-W402 AromaticContact CD1-CZ3 3.88Å; Y95-W402 HydrophobicContact CD1-CZ3 3.88Å; Y95-W402 AromaticContact CD2-CH2 3.97Å; Y95-W402 HydrophobicContact CD2-CH2 3.97Å; Y95-W402 AromaticContact CD2-CZ2 3.95Å; Y95-W402 HydrophobicContact CD2-CZ2 3.95Å; Y95-W402 HydrophobicContact CD2-CZ3 4.31Å; Y95-W402 HydrophobicContact CE1-CB 4.12Å; Y95-W402 AromaticContact CE1-CD2 3.63Å; Y95-W402 HydrophobicContact CE1-CD2 3.63Å; Y95-W402 AromaticContact CE1-CE3 3.79Å; Y95-W402 HydrophobicContact CE1-CE3 3.79Å; Y95-W402 AromaticContact CE1-CG 3.8Å; Y95-W402 HydrophobicContact CE1-CG 3.8Å; Y95-W402 HydrophobicContact CE1-CZ3 4.38Å; Y95-W402 HydrophobicContact CE2-CD2 4.22Å; Y95-W402 AromaticContact CE2-CE2 3.86Å; Y95-W402 HydrophobicContact CE2-CH2 4.4Å; Y95-W402 AromaticContact CE2-CZ2 3.94Å; Y95-W402 HydrophobicContact CE2-CZ2 3.94Å; Y95-W402 HydrophobicContact CG-CD2 4.43Å; Y95-W402 HydrophobicContact CG-CE3 4.1Å; Y95-W402 AromaticContact CG-CH2 3.95Å; Y95-W402 HydrophobicContact CG-CH2 3.95Å; Y95-W402 HydrophobicContact CG-CZ2 4.32Å; Y95-W402 AromaticContact CG-CZ3 3.85Å; Y95-W402 HydrophobicContact CG-CZ3 3.85Å; Y95-W402 AromaticContact CZ-CD2 3.75Å; Y95-W402 AromaticContact CZ-CE2 3.81Å; Y95-W402 AromaticContact CZ-CG 3.85Å; Y95-W402 AromaticContact CZ-NE1 3.98Å; V392-W402 HydrophobicContact CG1-CH2 4.42Å; V392-W402 HydrophobicContact CG1-CZ3 4.31Å; M395-W402 HydrophobicContact CB-CE3 4.35Å; M395-W402 HydrophobicContact CB-CH2 4.09Å; M395-W402 HydrophobicContact CB-CZ3 3.94Å; M395-W402 HydrophobicContact CE-CE3 4.09Å; H396-W402 VanDerWaalsContact CA-CZ2 3.49Å; H396-W402 HydrophobicContact CB-CH2 3.71Å; H396-W402 HydrophobicContact CB-CZ2 3.89Å; H396-W402 AromaticContact CD2-CZ2 3.92Å; G400-W402 PolarHBondContact O-N 2.75Å; W402-L404 PolarHBondContact O-N 3.48Å; W402-L404 VanDerWaalsContact O-N 3.12Å; W402-L405 HydrophobicContact CE3-CD1 3.62Å; W402-L405 HydrophobicContact CE3-CD2 4.38Å; W402-L405 HydrophobicContact CE3-CG 4.01Å; W402-L405 HydrophobicContact CZ3-CD1 4.07Å; W402-L405 WeakPolarHBondContact O-CB 3.3Å; W402-L405 PolarHBondContact O-N 2.93Å; W402-L405 VanDerWaalsContact O-N 3.16Å
403	S	93.5	Very high	93.7	Very high	47 Å²	47	25.8 Å²	25.8	33%	0.329	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-62.8	-16.9	176.4	93.5	0	0	0	0	112.5	D401 P406 K417	D401-S403 PolarHBondContact O-N 3.49Å; D401-S403 VanDerWaalsContact O-N 3.08Å; D401-S403 WeakPolarHBondContact OD1-CB 3.22Å; D401-S403 PolarHBondContact OD1-N 3.29Å; D401-S403 PolarHBondContact OD1-OG 2.79Å; D401-S403 VanDerWaalsContact OD1-OG 3.05Å; D401-S403 PolarHBondContact OD2-OG 2.83Å; S403-P406 VanDerWaalsContact O-CD 3.26Å; S403-P406 WeakPolarHBondContact O-CD 3.4Å; S403-K417 PolarHBondContact O-NZ 3.06Å
404	L	96.3	Very high	93.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-82.6	-17.3	178.8	-59.4	173.9	0	0	0	113.7	C383 D401 W402 P406 D407 L408 I413 K417 L421	C383-L404 WeakPolarHBondContact O-CD1 3.32Å; D401-L404 HydrophobicContact CB-CD1 4Å; D401-L404 HydrophobicContact CB-CG 4.13Å; D401-L404 WeakPolarHBondContact O-CB 3.42Å; D401-L404 WeakPolarHBondContact O-CG 3.46Å; D401-L404 PolarHBondContact O-N 3.32Å; W402-L404 PolarHBondContact O-N 3.48Å; W402-L404 VanDerWaalsContact O-N 3.12Å; L404-P406 VanDerWaalsContact C-N 3.34Å; L404-D407 PolarHBondContact O-N 3.08Å; L404-L408 HydrophobicContact CB-CD1 4.1Å; L404-L408 WeakPolarHBondContact O-CG 3.33Å; L404-L408 PolarHBondContact O-N 3.26Å; L404-I413 HydrophobicContact CD2-CG2 4.44Å; L404-K417 HydrophobicContact CD2-CB 4.38Å; L404-K417 HydrophobicContact CD2-CD 4.03Å; L404-L421 HydrophobicContact CD1-CD1 4.34Å; L404-L421 HydrophobicContact CD2-CD1 4.2Å
405	L	96.1	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-54.7	-39.1	-177.9	-71.4	-172.4	0	0	0	114.5	L60 Y95 F99 L102 P391 V392 M395 W402 D407 L408 S409	L60-L405 HydrophobicContact CD1-CB 4.16Å; L60-L405 HydrophobicContact CD1-CD1 3.94Å; Y95-L405 HydrophobicContact CD1-CD1 3.93Å; F99-L405 HydrophobicContact CB-CD1 4.37Å; F99-L405 HydrophobicContact CD2-CB 4.05Å; F99-L405 HydrophobicContact CD2-CD2 3.81Å; F99-L405 HydrophobicContact CD2-CG 4.35Å; F99-L405 HydrophobicContact CE2-CD2 4.13Å; F99-L405 WeakPolarHBondContact CE2-O 3.4Å; F99-L405 HydrophobicContact CG-CD2 4.3Å; L102-L405 HydrophobicContact CD1-CB 4.44Å; P391-L405 HydrophobicContact CG-CD2 4.15Å; V392-L405 HydrophobicContact CG2-CD2 4.28Å; M395-L405 HydrophobicContact CE-CD2 4.19Å; M395-L405 HydrophobicContact CE-CG 4.45Å; M395-L405 HydrophobicContact SD-CD2 3.9Å; W402-L405 HydrophobicContact CE3-CD1 3.62Å; W402-L405 HydrophobicContact CE3-CD2 4.38Å; W402-L405 HydrophobicContact CE3-CG 4.01Å; W402-L405 HydrophobicContact CZ3-CD1 4.07Å; W402-L405 WeakPolarHBondContact O-CB 3.3Å; W402-L405 PolarHBondContact O-N 2.93Å; W402-L405 VanDerWaalsContact O-N 3.16Å; L405-D407 VanDerWaalsContact C-N 3.32Å; L405-D407 PolarHBondContact O-N 3.36Å; L405-L408 HydrophobicContact CD2-CD1 4.5Å; L405-L408 PolarHBondContact O-N 3.34Å; L405-S409 WeakPolarHBondContact O-CB 3.43Å; L405-S409 PolarHBondContact O-N 2.94Å; L405-S409 PolarHBondContact O-OG 3.29Å
406	P	95.6	Very high	93.9	Very high	11 Å²	11	39 Å²	39	7%	0.071	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-38.1	176.5	-22.5	36.4	0	0	0	112.1	L60 R62 S403 L404 S409 H410	L60-P406 HydrophobicContact CB-CG 3.95Å; L60-P406 HydrophobicContact CD2-CG 4.33Å; L60-P406 WeakPolarHBondContact O-CB 3.45Å; L60-P406 WeakPolarHBondContact O-CG 3.48Å; R62-P406 HydrophobicContact CG-CB 4.37Å; S403-P406 VanDerWaalsContact O-CD 3.26Å; S403-P406 WeakPolarHBondContact O-CD 3.4Å; L404-P406 VanDerWaalsContact C-N 3.34Å; P406-S409 PolarHBondContact O-OG 2.94Å; P406-H410 PolarHBondContact O-CD2 3.38Å
407	D	95.7	Very high	94.1	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.059	23%	0.231	C	C	.	.	H	α-helix	trans	-72.4	-41.6	178	-67.3	-70.8	0	0	0	111.9	R62 L404 L405 S409 H410 G411 S412 I413 K417	R62-D407 IonicContact CZ-OD1 2.78Å; R62-D407 IonicContact NH2-OD1 3.5Å; R62-D407 PolarHBondContact NH2-OD1 3.49Å; L404-D407 PolarHBondContact O-N 3.08Å; L405-D407 VanDerWaalsContact C-N 3.32Å; L405-D407 PolarHBondContact O-N 3.36Å; D407-S409 VanDerWaalsContact C-N 3.29Å; D407-S409 PolarHBondContact O-N 3.42Å; D407-H410 CarbonylContact O-C 3.56Å; D407-H410 PolarHBondContact O-N 3.5Å; D407-G411 PolarHBondContact O-N 2.92Å; D407-S412 CarbonylContact C-O 3.56Å; D407-S412 WeakPolarHBondContact CB-O 3.46Å; D407-S412 PolarHBondContact O-N 3.15Å; D407-S412 VanDerWaalsContact O-O 3.08Å; D407-I413 HydrophobicContact CB-CD1 3.56Å; D407-K417 WeakPolarHBondContact OD2-CD 3.43Å; D407-K417 WeakPolarHBondContact OD2-CE 3.41Å; D407-K417 IonicContact OD2-NZ 3.79Å; D407-K417 PolarHBondContact OD2-NZ 3.39Å
408	L	96.3	Very high	94.4	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-32.8	174.5	-68.9	169.3	0	0	0	112.3	F99 L198 P391 M395 L404 L405 H410 G411 I413	F99-L408 HydrophobicContact CE2-CB 4.01Å; F99-L408 HydrophobicContact CZ-CB 4.33Å; L198-L408 WeakPolarHBondContact CD2-O 3.12Å; P391-L408 HydrophobicContact CB-CD1 3.85Å; P391-L408 HydrophobicContact CG-CB 4.45Å; P391-L408 HydrophobicContact CG-CD1 3.97Å; M395-L408 HydrophobicContact SD-CD1 4.1Å; L404-L408 HydrophobicContact CB-CD1 4.1Å; L404-L408 WeakPolarHBondContact O-CG 3.33Å; L404-L408 PolarHBondContact O-N 3.26Å; L405-L408 HydrophobicContact CD2-CD1 4.5Å; L405-L408 PolarHBondContact O-N 3.34Å; L408-H410 PolarHBondContact O-N 2.99Å; L408-G411 PolarHBondContact O-N 3.25Å; L408-I413 HydrophobicContact CD2-CD1 3.73Å; L408-I413 HydrophobicContact CG-CD1 3.81Å
409	S	95.7	Very high	94.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.8	-20.2	178.1	70.2	0	0	0	0	112.8	L198 L405 P406 D407	L198-S409 WeakPolarHBondContact CD1-O 3.3Å; L405-S409 WeakPolarHBondContact O-CB 3.43Å; L405-S409 PolarHBondContact O-N 2.94Å; L405-S409 PolarHBondContact O-OG 3.29Å; P406-S409 PolarHBondContact O-OG 2.94Å; D407-S409 VanDerWaalsContact C-N 3.29Å; D407-S409 PolarHBondContact O-N 3.42Å
410	H	91.9	Very high	94.8	Very high	56 Å²	56	46.5 Å²	46.5	26%	0.259	26%	0.26	S	S	.	.	H	α-helix	trans	-102.8	-1.8	174.1	-69.4	-75.1	0	0	0	113.6	R62 P406 D407 L408	R62-H410 PolarHBondContact NH1-CD2 3.24Å; P406-H410 PolarHBondContact O-CD2 3.38Å; D407-H410 CarbonylContact O-C 3.56Å; D407-H410 PolarHBondContact O-N 3.5Å; L408-H410 PolarHBondContact O-N 2.99Å
411	G	91.1	Very high	95.1	Very high	35 Å²	35	46.4 Å²	46.4	36%	0.361	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	8.2	170.6	0	0	0	0	0	115.6	D407 L408	D407-G411 PolarHBondContact O-N 2.92Å; L408-G411 PolarHBondContact O-N 3.25Å
412	S	91.4	Very high	95.3	Very high	74 Å²	74	44.6 Å²	44.6	52%	0.517	25%	0.248	S	C	.	.			trans	-150.1	137.9	179	64.3	0	0	0	0	111.3	D407	D407-S412 CarbonylContact C-O 3.56Å; D407-S412 WeakPolarHBondContact CB-O 3.46Å; D407-S412 PolarHBondContact O-N 3.15Å; D407-S412 VanDerWaalsContact O-O 3.08Å
413	I	94.7	Very high	95.5	Very high	28 Å²	28	46 Å²	46	14%	0.144	26%	0.261	C	S	.	.			trans	-88.9	137.1	174.2	-49.9	-57.9	0	0	0	110.8	L404 D407 L408 K417 I418	L404-I413 HydrophobicContact CD2-CG2 4.44Å; D407-I413 HydrophobicContact CB-CD1 3.56Å; L408-I413 HydrophobicContact CD2-CD1 3.73Å; L408-I413 HydrophobicContact CG-CD1 3.81Å; I413-K417 HydrophobicContact CG2-CB 3.8Å; I413-I418 HydrophobicContact CB-CD1 3.86Å; I413-I418 HydrophobicContact CB-CG1 3.98Å; I413-I418 HydrophobicContact CG1-CD1 4.4Å; I413-I418 HydrophobicContact CG2-CD1 3.7Å; I413-I418 HydrophobicContact CG2-CG1 3.76Å
414	S	93.9	Very high	95.7	Very high	39 Å²	39	48.9 Å²	48.9	27%	0.273	27%	0.27	S	S	.	.			trans	-63.5	146.3	175.9	74	0	0	0	0	111.7	S416 K417 I418	S414-S416 PolarHBondContact O-N 3.03Å; S414-S416 PolarHBondContact OG-OG 2.9Å; S414-K417 PolarHBondContact O-N 2.94Å; S414-K417 VanDerWaalsContact O-N 3.14Å; S414-K417 WeakPolarHBondContact OG-CB 3.38Å; S414-K417 WeakPolarHBondContact OG-CG 3.41Å; S414-K417 PolarHBondContact OG-N 3.44Å; S414-I418 PolarHBondContact O-N 3.49Å
415	K	95.1	Very high	95.8	Very high	193 Å²	193	48.9 Å²	48.9	84%	0.839	27%	0.27	S	S	*	.	H	α-helix	trans	-58.5	-36.1	179.1	-67.1	-174.4	178.3	-177.3	0	112.6	I418 F419	K415-I418 PolarHBondContact O-N 3.33Å; K415-F419 WeakPolarHBondContact O-CB 3.01Å; K415-F419 PolarHBondContact O-N 2.97Å
416	S	95.3	Very high	95.9	Very high	86 Å²	86	50.3 Å²	50.3	60%	0.601	28%	0.281	S	S	*	.	H	α-helix	trans	-64.6	-40.4	177.8	56	0	0	0	0	112.3	S414 F419 S420	S414-S416 PolarHBondContact O-N 3.03Å; S414-S416 PolarHBondContact OG-OG 2.9Å; S416-F419 PolarHBondContact O-N 3.48Å; S416-S420 PolarHBondContact O-N 3.41Å
417	K	96	Very high	96	Very high	58 Å²	58	57.4 Å²	57.4	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-68.9	-43.7	176.1	-75.5	178.2	170.7	-174.8	0	111.9	S403 L404 D407 I413 S414 F419 S420 L421	S403-K417 PolarHBondContact O-NZ 3.06Å; L404-K417 HydrophobicContact CD2-CB 4.38Å; L404-K417 HydrophobicContact CD2-CD 4.03Å; D407-K417 WeakPolarHBondContact OD2-CD 3.43Å; D407-K417 WeakPolarHBondContact OD2-CE 3.41Å; D407-K417 IonicContact OD2-NZ 3.79Å; D407-K417 PolarHBondContact OD2-NZ 3.39Å; I413-K417 HydrophobicContact CG2-CB 3.8Å; S414-K417 PolarHBondContact O-N 2.94Å; S414-K417 VanDerWaalsContact O-N 3.14Å; S414-K417 WeakPolarHBondContact OG-CB 3.38Å; S414-K417 WeakPolarHBondContact OG-CG 3.41Å; S414-K417 PolarHBondContact OG-N 3.44Å; K417-F419 VanDerWaalsContact C-N 3.31Å; K417-F419 PolarHBondContact O-N 3.18Å; K417-S420 PolarHBondContact O-N 3.11Å; K417-L421 WeakPolarHBondContact O-CB 3.39Å; K417-L421 WeakPolarHBondContact O-CG 3.42Å; K417-L421 PolarHBondContact O-N 3.19Å
418	I	97.7	Very high	96.1	Very high	17 Å²	17	58.2 Å²	58.2	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-43.5	172.9	-66.4	-60.6	0	0	0	111	I413 S414 K415 S420 L421 T422 E451	I413-I418 HydrophobicContact CB-CD1 3.86Å; I413-I418 HydrophobicContact CB-CG1 3.98Å; I413-I418 HydrophobicContact CG1-CD1 4.4Å; I413-I418 HydrophobicContact CG2-CD1 3.7Å; I413-I418 HydrophobicContact CG2-CG1 3.76Å; S414-I418 PolarHBondContact O-N 3.49Å; K415-I418 PolarHBondContact O-N 3.33Å; I418-S420 PolarHBondContact O-N 3.4Å; I418-L421 PolarHBondContact O-N 2.94Å; I418-T422 HydrophobicContact CG2-CG2 4.1Å; I418-T422 WeakPolarHBondContact O-CB 3.31Å; I418-T422 VanDerWaalsContact O-CG2 3.22Å; I418-T422 WeakPolarHBondContact O-CG2 3.26Å; I418-T422 PolarHBondContact O-N 3.18Å; I418-T422 PolarHBondContact O-OG1 3.08Å; I418-E451 HydrophobicContact CG2-CB 3.85Å; I418-E451 HydrophobicContact CG2-CG 4.33Å
419	F	97.6	Very high	96.2	Very high	142 Å²	142	57.7 Å²	57.7	62%	0.623	31%	0.308	S	S	*	.	H	α-helix	trans	-61.4	-43.5	176.6	179.9	-97.1	0	0	0	112.6	K415 S416 K417 T422 T423	K415-F419 WeakPolarHBondContact O-CB 3.01Å; K415-F419 PolarHBondContact O-N 2.97Å; S416-F419 PolarHBondContact O-N 3.48Å; K417-F419 VanDerWaalsContact C-N 3.31Å; K417-F419 PolarHBondContact O-N 3.18Å; F419-T422 WeakPolarHBondContact CA-OG1 3.3Å; F419-T422 PolarHBondContact O-OG1 3.47Å; F419-T422 VanDerWaalsContact O-OG1 3.09Å; F419-T423 WeakPolarHBondContact O-CB 2.94Å; F419-T423 PolarHBondContact O-N 2.94Å; F419-T423 PolarHBondContact O-OG1 2.9Å
420	S	97.6	Very high	96.3	Very high	66 Å²	66	59.1 Å²	59.1	46%	0.462	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.8	-178.9	0	0	0	0	112	S416 K417 I418 T423 Q424	S416-S420 PolarHBondContact O-N 3.41Å; K417-S420 PolarHBondContact O-N 3.11Å; I418-S420 PolarHBondContact O-N 3.4Å; S420-T423 WeakPolarHBondContact O-CB 3.44Å; S420-T423 PolarHBondContact O-N 2.73Å; S420-Q424 PolarHBondContact O-N 3.29Å
421	L	98.1	Very high	96.5	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-50.8	177.2	-73.1	168.2	0	0	0	111.6	Q382 L404 K417 I418 T423 Q424 Q425	Q382-L421 HydrophobicContact CB-CD2 4.32Å; L404-L421 HydrophobicContact CD1-CD1 4.34Å; L404-L421 HydrophobicContact CD2-CD1 4.2Å; K417-L421 WeakPolarHBondContact O-CB 3.39Å; K417-L421 WeakPolarHBondContact O-CG 3.42Å; K417-L421 PolarHBondContact O-N 3.19Å; I418-L421 PolarHBondContact O-N 2.94Å; L421-T423 VanDerWaalsContact C-N 3.26Å; L421-T423 PolarHBondContact O-N 2.8Å; L421-Q424 PolarHBondContact O-N 3.08Å; L421-Q424 VanDerWaalsContact O-N 3.14Å; L421-Q425 WeakPolarHBondContact O-CB 3.48Å; L421-Q425 WeakPolarHBondContact O-CG 3.5Å; L421-Q425 PolarHBondContact O-N 3.27Å
422	T	98.3	Very high	96.8	Very high	9 Å²	9	56 Å²	56	6%	0.055	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-30.3	-179	54.2	0	0	0	0	112.6	I418 F419 A426 E451 E452 L456	I418-T422 HydrophobicContact CG2-CG2 4.1Å; I418-T422 WeakPolarHBondContact O-CB 3.31Å; I418-T422 VanDerWaalsContact O-CG2 3.22Å; I418-T422 WeakPolarHBondContact O-CG2 3.26Å; I418-T422 PolarHBondContact O-N 3.18Å; I418-T422 PolarHBondContact O-OG1 3.08Å; F419-T422 WeakPolarHBondContact CA-OG1 3.3Å; F419-T422 PolarHBondContact O-OG1 3.47Å; F419-T422 VanDerWaalsContact O-OG1 3.09Å; T422-A426 WeakPolarHBondContact O-CB 3.13Å; T422-A426 PolarHBondContact O-N 2.72Å; T422-E451 HydrophobicContact CG2-CB 4.17Å; T422-E451 WeakPolarHBondContact CG2-O 3.36Å; T422-E452 HydrophobicContact CG2-CB 4.4Å; T422-E452 HydrophobicContact CG2-CG 3.71Å; T422-L456 HydrophobicContact CG2-CD1 4.09Å; T422-L456 WeakPolarHBondContact O-CD1 3.3Å
423	T	97.9	Very high	97	Very high	73 Å²	73	52.5 Å²	52.5	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-47.1	172.9	-60.5	0	0	0	0	111.4	F419 S420 L421 R427	F419-T423 WeakPolarHBondContact O-CB 2.94Å; F419-T423 PolarHBondContact O-N 2.94Å; F419-T423 PolarHBondContact O-OG1 2.9Å; S420-T423 WeakPolarHBondContact O-CB 3.44Å; S420-T423 PolarHBondContact O-N 2.73Å; L421-T423 VanDerWaalsContact C-N 3.26Å; L421-T423 PolarHBondContact O-N 2.8Å; T423-R427 PolarHBondContact O-N 2.93Å
424	Q	97.5	Very high	96.9	Very high	108 Å²	108	52.3 Å²	52.3	51%	0.505	27%	0.273	S	S	.	.	H	α-helix	trans	-69.1	-42.3	177.8	-67.7	-168.9	-12.5	0	0	112.2	S420 L421 A426 R427 L428	S420-Q424 PolarHBondContact O-N 3.29Å; L421-Q424 PolarHBondContact O-N 3.08Å; L421-Q424 VanDerWaalsContact O-N 3.14Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-A426 PolarHBondContact O-N 2.7Å; Q424-R427 WeakPolarHBondContact O-CB 3.3Å; Q424-R427 PolarHBondContact O-N 3.46Å; Q424-L428 WeakPolarHBondContact O-CG 3.49Å; Q424-L428 PolarHBondContact O-N 3.37Å
425	Q	98.6	Very high	96.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-44.6	175.7	-70.1	162.1	4	0	0	111.7	P381 Q382 L421 R427 L428 L429 E452 L456	P381-Q425 HydrophobicContact CB-CB 4.41Å; P381-Q425 HydrophobicContact CB-CG 3.67Å; P381-Q425 HydrophobicContact CG-CG 3.83Å; Q382-Q425 PolarHBondContact O-NE2 3.39Å; L421-Q425 WeakPolarHBondContact O-CB 3.48Å; L421-Q425 WeakPolarHBondContact O-CG 3.5Å; L421-Q425 PolarHBondContact O-N 3.27Å; Q425-R427 VanDerWaalsContact C-N 3.33Å; Q425-R427 PolarHBondContact O-N 3.21Å; Q425-L428 PolarHBondContact O-N 2.92Å; Q425-L429 WeakPolarHBondContact O-CB 3.15Å; Q425-L429 PolarHBondContact O-N 3.04Å; Q425-E452 PolarHBondContact NE2-OE1 2.86Å; Q425-L456 HydrophobicContact CB-CD1 3.89Å; Q425-L456 HydrophobicContact CB-CD2 3.79Å
426	A	98.2	Very high	96.7	Very high	29 Å²	29	42.2 Å²	42.2	24%	0.24	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-40.5	177.4	0	0	0	0	0	111.8	T422 Q424 L429 A430 L456 V460	T422-A426 WeakPolarHBondContact O-CB 3.13Å; T422-A426 PolarHBondContact O-N 2.72Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-A426 PolarHBondContact O-N 2.7Å; A426-L429 PolarHBondContact O-N 3.1Å; A426-A430 WeakPolarHBondContact O-CB 3.43Å; A426-A430 PolarHBondContact O-N 2.9Å; A426-L456 HydrophobicContact CB-CD1 4.21Å; A426-V460 HydrophobicContact CB-CG2 3.77Å
427	R	97.4	Very high	96.6	Very high	161 Å²	161	42.6 Å²	42.6	61%	0.608	22%	0.216	S	C	*	.	H	α-helix	trans	-61.9	-47.2	175.8	-173.1	-177.6	176.2	178.9	-2	111.9	T423 Q424 Q425 H431	T423-R427 PolarHBondContact O-N 2.93Å; Q424-R427 WeakPolarHBondContact O-CB 3.3Å; Q424-R427 PolarHBondContact O-N 3.46Å; Q425-R427 VanDerWaalsContact C-N 3.33Å; Q425-R427 PolarHBondContact O-N 3.21Å; R427-H431 WeakPolarHBondContact O-CB 3.36Å; R427-H431 PolarHBondContact O-N 2.83Å; R427-H431 VanDerWaalsContact O-N 3.09Å
428	L	98.1	Very high	96.6	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.141	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-48	177.3	-68.7	173.7	0	0	0	111.3	F361 V379 P381 Q424 Q425 H431 A432	F361-L428 HydrophobicContact CD1-CD2 3.65Å; F361-L428 HydrophobicContact CE1-CD2 4.2Å; F361-L428 WeakPolarHBondContact CE1-O 3.41Å; V379-L428 HydrophobicContact CG1-CB 4Å; P381-L428 HydrophobicContact CB-CD1 3.8Å; Q424-L428 WeakPolarHBondContact O-CG 3.49Å; Q424-L428 PolarHBondContact O-N 3.37Å; Q425-L428 PolarHBondContact O-N 2.92Å; L428-H431 PolarHBondContact O-N 3.24Å; L428-A432 PolarHBondContact O-N 2.86Å
429	L	98.3	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-44.9	-178.4	-175.1	57.2	0	0	0	111.7	Q425 A426 H431 A432 L433 V441 Y443 L456 V457 V460 L511	Q425-L429 WeakPolarHBondContact O-CB 3.15Å; Q425-L429 PolarHBondContact O-N 3.04Å; A426-L429 PolarHBondContact O-N 3.1Å; L429-H431 VanDerWaalsContact C-N 3.33Å; L429-H431 PolarHBondContact O-N 2.8Å; L429-A432 WeakPolarHBondContact O-CB 3.48Å; L429-A432 PolarHBondContact O-N 3Å; L429-L433 HydrophobicContact CG-CD1 4.34Å; L429-L433 VanDerWaalsContact O-CG 3.29Å; L429-L433 WeakPolarHBondContact O-CG 3.35Å; L429-L433 PolarHBondContact O-N 3.22Å; L429-V441 HydrophobicContact CD1-CG1 3.97Å; L429-Y443 HydrophobicContact CB-CD2 4.37Å; L429-Y443 HydrophobicContact CD1-CD2 4Å; L429-Y443 HydrophobicContact CD1-CG 4.33Å; L429-Y443 HydrophobicContact CD2-CD2 4.11Å; L429-Y443 HydrophobicContact CD2-CE2 4.46Å; L429-Y443 HydrophobicContact CD2-CG 4.35Å; L429-Y443 HydrophobicContact CG-CD2 4.39Å; L429-L456 HydrophobicContact CD2-CD2 4.22Å; L429-V457 HydrophobicContact CD2-CG2 4.13Å; L429-V460 HydrophobicContact CB-CG1 4.16Å; L429-V460 HydrophobicContact CD2-CB 4.04Å; L429-V460 HydrophobicContact CD2-CG1 4.04Å; L429-V460 HydrophobicContact CD2-CG2 4.24Å; L429-V460 HydrophobicContact CG-CB 4.4Å; L429-V460 HydrophobicContact CG-CG1 3.85Å; L429-L511 HydrophobicContact CD1-CD1 3.87Å
430	A	96.8	Very high	96.4	Very high	31 Å²	31	35.5 Å²	35.5	26%	0.256	19%	0.186	S	C	.	.	H	α-helix	trans	-59.8	-43.5	178.2	0	0	0	0	0	111.7	A426 L433 S434 V460	A426-A430 WeakPolarHBondContact O-CB 3.43Å; A426-A430 PolarHBondContact O-N 2.9Å; A430-L433 PolarHBondContact O-N 3.49Å; A430-S434 PolarHBondContact O-N 2.91Å; A430-V460 HydrophobicContact CB-CG1 4.03Å
431	H	96.4	Very high	96.4	Very high	25 Å²	25	32.3 Å²	32.3	12%	0.116	16%	0.164	C	C	.	.	H	α-helix	trans	-67.5	-37.5	177.1	-170	57.2	0	0	0	112.3	F361 L364 E366 R427 L428 L429 L433 S434 F435	F361-H431 HydrophobicContact CE1-CB 4.2Å; F361-H431 AromaticContact CE1-CD2 3.77Å; F361-H431 AromaticContact CE2-CD2 3.95Å; F361-H431 AromaticContact CZ-CD2 3.74Å; F361-H431 PolarHBondContact O-CD2 2.9Å; F361-H431 PolarHBondContact O-NE2 2.95Å; L364-H431 PolarHBondContact O-CE1 3.33Å; L364-H431 VanDerWaalsContact O-CE1 3.25Å; L364-H431 PolarHBondContact O-NE2 3.44Å; E366-H431 IonicContact OE1-CE1 3.95Å; E366-H431 IonicContact OE1-ND1 3.1Å; R427-H431 WeakPolarHBondContact O-CB 3.36Å; R427-H431 PolarHBondContact O-N 2.83Å; R427-H431 VanDerWaalsContact O-N 3.09Å; L428-H431 PolarHBondContact O-N 3.24Å; L429-H431 VanDerWaalsContact C-N 3.33Å; L429-H431 PolarHBondContact O-N 2.8Å; H431-L433 PolarHBondContact O-N 2.98Å; H431-S434 PolarHBondContact O-N 3.33Å; H431-S434 VanDerWaalsContact O-N 3.12Å; H431-S434 PolarHBondContact O-OG 3.37Å; H431-F435 AromaticContact CD2-CE2 3.68Å; H431-F435 AromaticContact CE1-CE2 3.99Å; H431-F435 AromaticContact NE2-CE2 3.49Å; H431-F435 WeakPolarHBondContact NE2-CE2 3.4Å; H431-F435 AromaticContact NE2-CZ 3.48Å; H431-F435 WeakPolarHBondContact NE2-CZ 3.32Å; H431-F435 WeakPolarHBondContact O-CD2 3.39Å; H431-F435 VanDerWaalsContact O-CE2 3.31Å; H431-F435 WeakPolarHBondContact O-CE2 3.43Å
432	A	97.1	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-31.9	173.7	0	0	0	0	0	112.9	F361 I377 V379 L428 L429 V441	F361-A432 HydrophobicContact CZ-CB 4.01Å; I377-A432 HydrophobicContact CB-CB 4.31Å; I377-A432 HydrophobicContact CD1-CB 4.06Å; I377-A432 HydrophobicContact CG2-CB 3.92Å; V379-A432 HydrophobicContact CG2-CB 3.76Å; L428-A432 PolarHBondContact O-N 2.86Å; L429-A432 WeakPolarHBondContact O-CB 3.48Å; L429-A432 PolarHBondContact O-N 3Å; A432-V441 HydrophobicContact CB-CG1 3.92Å; A432-V441 HydrophobicContact CB-CG2 4.17Å
433	L	95.6	Very high	96.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-80.8	-13.6	179.9	-61.6	170.5	0	0	0	113.7	L429 A430 H431 V441 V460 L461 T464 F473 L511 R513	L429-L433 HydrophobicContact CG-CD1 4.34Å; L429-L433 VanDerWaalsContact O-CG 3.29Å; L429-L433 WeakPolarHBondContact O-CG 3.35Å; L429-L433 PolarHBondContact O-N 3.22Å; A430-L433 PolarHBondContact O-N 3.49Å; H431-L433 PolarHBondContact O-N 2.98Å; L433-V441 HydrophobicContact CD2-CB 4.27Å; L433-V441 HydrophobicContact CD2-CG2 3.93Å; L433-V460 HydrophobicContact CD1-CG1 3.88Å; L433-L461 HydrophobicContact CD1-CD2 4.05Å; L433-T464 HydrophobicContact CB-CG2 4.21Å; L433-F473 HydrophobicContact CB-CD2 4.09Å; L433-F473 HydrophobicContact CB-CE2 4.2Å; L433-F473 HydrophobicContact CD2-CB 3.83Å; L433-F473 HydrophobicContact CD2-CD1 3.77Å; L433-F473 HydrophobicContact CD2-CD2 3.46Å; L433-F473 VanDerWaalsContact CD2-CD2 3.46Å; L433-F473 HydrophobicContact CD2-CE1 4.18Å; L433-F473 HydrophobicContact CD2-CE2 3.84Å; L433-F473 HydrophobicContact CD2-CG 3.41Å; L433-F473 VanDerWaalsContact CD2-CG 3.41Å; L433-F473 HydrophobicContact CD2-CZ 4.21Å; L433-F473 HydrophobicContact CG-CD2 4.35Å; L433-F473 WeakPolarHBondContact O-CE2 3.03Å; L433-L511 HydrophobicContact CD1-CD1 4.43Å; L433-L511 HydrophobicContact CD2-CB 4.41Å; L433-L511 HydrophobicContact CD2-CD1 3.87Å; L433-R513 PolarHBondContact O-NH2 2.72Å
434	S	93.5	Very high	96.3	Very high	23 Å²	23	28.5 Å²	28.5	16%	0.161	14%	0.141	C	C	.	.	H	α-helix	trans	-80.4	-21.2	-179.5	67.4	0	0	0	0	113.6	E366 A430 H431 P436	E366-S434 VanDerWaalsContact CG-OG 3.26Å; E366-S434 WeakPolarHBondContact CG-OG 3.2Å; E366-S434 VanDerWaalsContact OE1-CB 3.25Å; E366-S434 WeakPolarHBondContact OE1-CB 3.45Å; E366-S434 PolarHBondContact OE1-OG 3.29Å; A430-S434 PolarHBondContact O-N 2.91Å; H431-S434 PolarHBondContact O-N 3.33Å; H431-S434 VanDerWaalsContact O-N 3.12Å; H431-S434 PolarHBondContact O-OG 3.37Å; S434-P436 WeakPolarHBondContact O-CD 3.43Å
435	F	93.7	Very high	96.3	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.018	12%	0.118	C	C	.	.			trans	-64.9	118.8	-176.6	-73.3	-95.3	0	0	0	113.2	F361 L364 E366 V371 L374 I377 H431 K437 V438 R513	F361-F435 AromaticContact CE2-CE2 3.85Å; F361-F435 HydrophobicContact CE2-CE2 3.85Å; F361-F435 HydrophobicContact CE2-CZ 4.12Å; F361-F435 HydrophobicContact CZ-CE2 4.13Å; L364-F435 HydrophobicContact CB-CZ 4.4Å; L364-F435 HydrophobicContact CD2-CE1 4.17Å; L364-F435 HydrophobicContact CD2-CZ 4.1Å; L364-F435 HydrophobicContact CG-CE1 4.37Å; L364-F435 HydrophobicContact CG-CZ 4.34Å; E366-F435 HydrophobicContact CB-CD1 4.27Å; E366-F435 HydrophobicContact CG-CD1 4.42Å; E366-F435 HydrophobicContact CG-CG 4.41Å; V371-F435 HydrophobicContact CB-CE1 4.48Å; V371-F435 HydrophobicContact CG1-CE1 4.36Å; V371-F435 HydrophobicContact CG2-CD1 4.2Å; V371-F435 HydrophobicContact CG2-CE1 4.09Å; L374-F435 HydrophobicContact CD2-CD1 3.87Å; L374-F435 HydrophobicContact CD2-CE1 4.13Å; L374-F435 HydrophobicContact CD2-CG 4.31Å; I377-F435 HydrophobicContact CD1-CB 4.46Å; I377-F435 HydrophobicContact CD1-CD2 3.54Å; I377-F435 HydrophobicContact CD1-CE2 3.94Å; I377-F435 HydrophobicContact CD1-CG 4.02Å; H431-F435 AromaticContact CD2-CE2 3.68Å; H431-F435 AromaticContact CE1-CE2 3.99Å; H431-F435 AromaticContact NE2-CE2 3.49Å; H431-F435 WeakPolarHBondContact NE2-CE2 3.4Å; H431-F435 AromaticContact NE2-CZ 3.48Å; H431-F435 WeakPolarHBondContact NE2-CZ 3.32Å; H431-F435 WeakPolarHBondContact O-CD2 3.39Å; H431-F435 VanDerWaalsContact O-CE2 3.31Å; H431-F435 WeakPolarHBondContact O-CE2 3.43Å; F435-K437 VanDerWaalsContact C-N 3.33Å; F435-K437 PolarHBondContact O-N 2.81Å; F435-V438 HydrophobicContact CB-CB 3.94Å; F435-V438 HydrophobicContact CB-CG2 3.4Å; F435-V438 VanDerWaalsContact CB-CG2 3.4Å; F435-V438 HydrophobicContact CG-CG2 4.16Å; F435-V438 PolarHBondContact O-N 3.3Å; F435-R513 PolarHBondContact O-NH2 3.44Å
436	P	91.8	Very high	96.2	Very high	17 Å²	17	24.4 Å²	24.4	11%	0.11	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.4	-170	23.8	-34.9	0	0	0	114.1	E366 W367 S434 L470	E366-P436 WeakPolarHBondContact O-CD 3.46Å; W367-P436 HydrophobicContact CD2-CG 4.11Å; W367-P436 HydrophobicContact CE3-CG 3.85Å; W367-P436 HydrophobicContact CH2-CB 3.69Å; W367-P436 HydrophobicContact CH2-CG 3.77Å; W367-P436 HydrophobicContact CZ2-CB 4.15Å; W367-P436 HydrophobicContact CZ2-CG 4.01Å; W367-P436 HydrophobicContact CZ3-CB 3.94Å; W367-P436 HydrophobicContact CZ3-CG 3.69Å; S434-P436 WeakPolarHBondContact O-CD 3.43Å; P436-L470 HydrophobicContact CB-CD1 3.91Å; P436-L470 HydrophobicContact CB-CD2 3.71Å; P436-L470 HydrophobicContact CB-CG 4.4Å
437	K	93	Very high	96.1	Very high	93 Å²	93	23.1 Å²	23.1	40%	0.404	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-14.2	-175.8	-63.2	-171.9	-175.5	-172	0	113.8	H372 L374 K375 F435 Q439	H372-K437 WeakPolarHBondContact O-CD 3.45Å; H372-K437 PolarHBondContact O-NZ 3.26Å; L374-K437 CarbonylContact O-C 3.21Å; K375-K437 WeakPolarHBondContact CD-O 3.39Å; F435-K437 VanDerWaalsContact C-N 3.33Å; F435-K437 PolarHBondContact O-N 2.81Å; K437-Q439 PolarHBondContact O-N 3.5Å; K437-Q439 PolarHBondContact O-NE2 2.87Å; K437-Q439 VanDerWaalsContact O-NE2 3.12Å
438	V	95.6	Very high	96	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.			trans	-66.4	129	177	172.6	0	0	0	0	109.6	L374 K375 I377 F435 T440 V441 F473 R513	L374-V438 HydrophobicContact CD2-CG2 4.01Å; L374-V438 HydrophobicContact CG-CG2 3.76Å; K375-V438 WeakPolarHBondContact O-CA 3.39Å; I377-V438 HydrophobicContact CD1-CG2 3.78Å; I377-V438 HydrophobicContact CG1-CG1 4.24Å; I377-V438 HydrophobicContact CG1-CG2 3.78Å; F435-V438 HydrophobicContact CB-CB 3.94Å; F435-V438 HydrophobicContact CB-CG2 3.4Å; F435-V438 VanDerWaalsContact CB-CG2 3.4Å; F435-V438 HydrophobicContact CG-CG2 4.16Å; F435-V438 PolarHBondContact O-N 3.3Å; V438-T440 WeakPolarHBondContact CG1-O 3.45Å; V438-V441 HydrophobicContact CG1-CG2 3.79Å; V438-F473 HydrophobicContact CG1-CE1 4.47Å; V438-F473 HydrophobicContact CG1-CZ 4.06Å; V438-R513 PolarHBondContact O-NE 2.94Å
439	Q	94.9	Very high	95.9	Very high	60 Å²	60	19 Å²	19	28%	0.28	11%	0.105	S	C	.	.			trans	-103.4	-31.5	178.4	-59.4	-54.2	-47.6	0	0	111.5	F297 K375 K437 S512 R513	F297-Q439 HydrophobicContact CE1-CG 4.34Å; F297-Q439 HydrophobicContact CE2-CB 3.82Å; F297-Q439 HydrophobicContact CE2-CG 4.19Å; F297-Q439 HydrophobicContact CZ-CB 3.6Å; F297-Q439 HydrophobicContact CZ-CG 3.74Å; K375-Q439 HydrophobicContact CD-CG 4.3Å; K375-Q439 PolarHBondContact O-N 2.91Å; K437-Q439 PolarHBondContact O-N 3.5Å; K437-Q439 PolarHBondContact O-NE2 2.87Å; K437-Q439 VanDerWaalsContact O-NE2 3.12Å; Q439-S512 CarbonylContact O-C 3.55Å; Q439-S512 VanDerWaalsContact O-CA 3.26Å; Q439-S512 WeakPolarHBondContact O-CA 3.28Å; Q439-R513 PolarHBondContact O-N 3.09Å
440	T	95.6	Very high	95.8	Very high	8 Å²	8	21.6 Å²	21.6	5%	0.049	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.3	-178.1	-54.3	0	0	0	0	111.1	V295 K375 V376 I377 V438 V442 R510 L511	V295-T440 HydrophobicContact CB-CG2 4.11Å; V295-T440 HydrophobicContact CG1-CG2 4.28Å; V295-T440 HydrophobicContact CG2-CG2 3.9Å; K375-T440 PolarHBondContact O-N 2.9Å; V376-T440 VanDerWaalsContact CA-O 3.28Å; V376-T440 WeakPolarHBondContact CA-O 3.48Å; I377-T440 PolarHBondContact N-O 3.34Å; V438-T440 WeakPolarHBondContact CG1-O 3.45Å; T440-V442 HydrophobicContact CG2-CG2 4.27Å; T440-R510 HydrophobicContact CG2-CG 3.91Å; T440-L511 CarbonylContact C-O 3.55Å; T440-L511 VanDerWaalsContact CA-O 3.29Å; T440-L511 WeakPolarHBondContact CA-O 3.21Å
441	V	97.4	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.8	167.3	-179.5	0	0	0	0	108.1	I377 V379 L429 A432 L433 V438 F473 L511	I377-V441 HydrophobicContact CB-CG2 4.4Å; I377-V441 CarbonylContact O-C 3.6Å; I377-V441 VanDerWaalsContact O-CA 3.28Å; I377-V441 WeakPolarHBondContact O-CA 3.37Å; V379-V441 HydrophobicContact CG2-CG1 3.82Å; L429-V441 HydrophobicContact CD1-CG1 3.97Å; A432-V441 HydrophobicContact CB-CG1 3.92Å; A432-V441 HydrophobicContact CB-CG2 4.17Å; L433-V441 HydrophobicContact CD2-CB 4.27Å; L433-V441 HydrophobicContact CD2-CG2 3.93Å; V438-V441 HydrophobicContact CG1-CG2 3.79Å; V441-F473 HydrophobicContact CG2-CE1 4.06Å; V441-F473 HydrophobicContact CG2-CZ 4.23Å; V441-L511 HydrophobicContact CB-CB 4.26Å; V441-L511 PolarHBondContact N-O 3.44Å; V441-L511 PolarHBondContact O-N 3.43Å
442	V	96.9	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.9	173.5	179.9	0	0	0	0	107.4	V291 I377 V378 V379 T440 C444 I508	V291-V442 HydrophobicContact CG1-CG1 3.99Å; V291-V442 HydrophobicContact CG1-CG2 4.28Å; I377-V442 PolarHBondContact O-N 2.96Å; V378-V442 CarbonylContact C-O 3.5Å; V378-V442 WeakPolarHBondContact CA-O 3.09Å; V378-V442 HydrophobicContact CG1-CB 4.45Å; V378-V442 HydrophobicContact CG2-CB 4.34Å; V379-V442 PolarHBondContact N-O 3.4Å; T440-V442 HydrophobicContact CG2-CG2 4.27Å; V442-C444 VanDerWaalsContact CG1-SG 3.59Å; V442-I508 HydrophobicContact CG1-CG2 4Å
443	Y	97.8	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.1	178.8	175.5	-94.2	0	0	0	109.4	V379 P381 L429 T445 E452 L456 V457 F507 I508 A509	V379-Y443 HydrophobicContact CB-CD2 4.08Å; V379-Y443 HydrophobicContact CG1-CD2 3.95Å; V379-Y443 HydrophobicContact CG1-CE2 4.34Å; P381-Y443 HydrophobicContact CG-CE2 3.7Å; L429-Y443 HydrophobicContact CB-CD2 4.37Å; L429-Y443 HydrophobicContact CD1-CD2 4Å; L429-Y443 HydrophobicContact CD1-CG 4.33Å; L429-Y443 HydrophobicContact CD2-CD2 4.11Å; L429-Y443 HydrophobicContact CD2-CE2 4.46Å; L429-Y443 HydrophobicContact CD2-CG 4.35Å; L429-Y443 HydrophobicContact CG-CD2 4.39Å; Y443-T445 HydrophobicContact CD1-CG2 4.36Å; Y443-T445 HydrophobicContact CE1-CG2 3.38Å; Y443-T445 VanDerWaalsContact CZ-CG2 3.47Å; Y443-T445 WeakPolarHBondContact OH-CG2 3.4Å; Y443-E452 WeakPolarHBondContact CE1-O 3.3Å; Y443-E452 PolarHBondContact OH-O 3.14Å; Y443-L456 HydrophobicContact CE1-CD2 4.09Å; Y443-L456 HydrophobicContact CE2-CD2 3.82Å; Y443-L456 VanDerWaalsContact CZ-CD2 3.45Å; Y443-L456 VanDerWaalsContact OH-CD2 3.26Å; Y443-L456 WeakPolarHBondContact OH-CD2 3.5Å; Y443-V457 HydrophobicContact CD1-CG2 3.89Å; Y443-V457 HydrophobicContact CE1-CG2 4.28Å; Y443-V457 HydrophobicContact CG-CG2 4.5Å; Y443-F507 HydrophobicContact CD1-CD1 4.22Å; Y443-F507 AromaticContact CD1-CE1 3.96Å; Y443-F507 HydrophobicContact CD1-CE1 3.96Å; Y443-F507 HydrophobicContact CE1-CD1 4.24Å; Y443-F507 HydrophobicContact CE1-CE1 4.16Å; Y443-I508 CarbonylContact O-C 3.55Å; Y443-I508 WeakPolarHBondContact O-CA 3.38Å; Y443-A509 PolarHBondContact N-O 3.22Å; Y443-A509 PolarHBondContact O-N 2.9Å
444	C	97.2	Very high	95.9	Very high	10 Å²	10	25 Å²	25	7%	0.068	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.1	-177	-53.1	0	0	0	0	112.5	A288 V379 L380 P381 V442 F507 I508	A288-C444 HydrophobicContact CB-CB 4.18Å; A288-C444 VanDerWaalsContact CB-SG 3.54Å; V379-C444 PolarHBondContact O-N 2.82Å; L380-C444 HydrophobicContact CD2-CB 3.75Å; P381-C444 VanDerWaalsContact CD-O 3.27Å; P381-C444 WeakPolarHBondContact CD-O 3.24Å; V442-C444 VanDerWaalsContact CG1-SG 3.59Å; C444-F507 CarbonylContact C-O 3.59Å; C444-F507 VanDerWaalsContact CA-O 3.22Å; C444-F507 WeakPolarHBondContact CA-O 3.46Å; C444-I508 HydrophobicContact CB-CG1 4.25Å
445	T	97.9	Very high	96.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	161.6	171.3	81.6	0	0	0	0	111.1	P381 Y443 S447 N453 C506 F507	P381-T445 HydrophobicContact CG-CG2 4.43Å; Y443-T445 HydrophobicContact CD1-CG2 4.36Å; Y443-T445 HydrophobicContact CE1-CG2 3.38Å; Y443-T445 VanDerWaalsContact CZ-CG2 3.47Å; Y443-T445 WeakPolarHBondContact OH-CG2 3.4Å; T445-S447 VanDerWaalsContact C-N 3.33Å; T445-S447 PolarHBondContact OG1-N 2.98Å; T445-N453 PolarHBondContact OG1-OD1 3.46Å; T445-C506 CarbonylContact O-C 3.6Å; T445-C506 VanDerWaalsContact O-CA 3.23Å; T445-C506 WeakPolarHBondContact O-CA 3.44Å; T445-C506 VanDerWaalsContact O-CB 3.23Å; T445-C506 WeakPolarHBondContact O-CB 3.38Å; T445-F507 PolarHBondContact N-O 2.97Å; T445-F507 PolarHBondContact O-N 2.96Å
446	R	97	Very high	96.3	Very high	20 Å²	20	28.5 Å²	28.5	8%	0.075	15%	0.147	C	C	.	.	S	Bend	trans	-103.5	39.7	167.7	-67	164.7	-71.9	-121	-0.5	110.1	C383 S385 S386 A387 L388	C383-R446 PolarHBondContact SG-N 3.13Å; S385-R446 CarbonylContact C-O 3.55Å; S385-R446 WeakPolarHBondContact CA-O 3.21Å; S386-R446 PolarHBondContact N-O 3.16Å; A387-R446 VanDerWaalsContact CB-O 3.23Å; A387-R446 WeakPolarHBondContact CB-O 3.49Å; A387-R446 PolarHBondContact N-O 3.44Å; L388-R446 HydrophobicContact CD2-CB 4.2Å; L388-R446 HydrophobicContact CD2-CG 4.38Å; L388-R446 HydrophobicContact CG-CB 4.44Å
447	S	96.9	Very high	96.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	14%	0.142	C	C	.	.			trans	-118	145.4	-175.1	-174	0	0	0	0	112.2	S384 S386 T445 C449 E452 N453	S384-S447 WeakPolarHBondContact OG-CB 3.33Å; S384-S447 PolarHBondContact OG-OG 3.43Å; S386-S447 WeakPolarHBondContact OG-CA 3.42Å; S386-S447 PolarHBondContact OG-OG 2.93Å; S386-S447 VanDerWaalsContact OG-OG 3.09Å; T445-S447 VanDerWaalsContact C-N 3.33Å; T445-S447 PolarHBondContact OG1-N 2.98Å; S447-C449 VanDerWaalsContact OG-CB 3.32Å; S447-C449 WeakPolarHBondContact OG-CB 3.29Å; S447-C449 PolarHBondContact OG-N 2.84Å; S447-E452 VanDerWaalsContact CB-OE2 3.23Å; S447-E452 WeakPolarHBondContact CB-OE2 3.24Å; S447-E452 PolarHBondContact OG-OE2 3.29Å; S447-N453 PolarHBondContact O-ND2 3.17Å
448	V	94.8	Very high	96.6	Very high	77 Å²	77	24.5 Å²	24.5	47%	0.467	14%	0.135	S	C	.	.			trans	-93.8	-3.2	165.8	-61.5	0	0	0	0	112.5	S386 A387 P450 P499	S386-V448 PolarHBondContact OG-N 3.41Å; A387-V448 HydrophobicContact CB-CG1 3.7Å; V448-P450 WeakPolarHBondContact O-CD 3.26Å; V448-P499 HydrophobicContact CG1-CG 4.37Å
449	C	95.5	Very high	96.6	Very high	24 Å²	24	29.4 Å²	29.4	16%	0.162	15%	0.154	C	C	.	.			trans	-79.7	118.8	-175.7	-61.4	0	0	0	0	111	S447 E451 E452 N453	S447-C449 VanDerWaalsContact OG-CB 3.32Å; S447-C449 WeakPolarHBondContact OG-CB 3.29Å; S447-C449 PolarHBondContact OG-N 2.84Å; C449-E451 PolarHBondContact O-N 3.44Å; C449-E451 VanDerWaalsContact O-N 3.17Å; C449-E452 HydrophobicContact CB-CG 4.3Å; C449-E452 PolarHBondContact O-N 3.21Å; C449-E452 VanDerWaalsContact O-N 3.08Å; C449-N453 PolarHBondContact O-N 2.83Å; C449-N453 PolarHBondContact O-ND2 2.71Å
450	P	96.1	Very high	96.7	Very high	55 Å²	55	27 Å²	27	36%	0.357	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.8	177	-25.6	36	0	0	0	113.8	V448 E452 N453 E454 Q455	V448-P450 WeakPolarHBondContact O-CD 3.26Å; P450-E452 PolarHBondContact O-N 2.73Å; P450-N453 CarbonylContact O-C 3.48Å; P450-N453 PolarHBondContact O-N 2.61Å; P450-E454 WeakPolarHBondContact CA-OE2 3.23Å; P450-E454 PolarHBondContact O-N 2.61Å; P450-Q455 HydrophobicContact CB-CG 4.09Å; P450-Q455 VanDerWaalsContact O-CB 3.28Å; P450-Q455 WeakPolarHBondContact O-CB 3.3Å; P450-Q455 PolarHBondContact O-N 3.39Å
451	E	97.6	Very high	96.7	Very high	80 Å²	80	28.8 Å²	28.8	37%	0.374	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.3	177.9	-62.7	86.3	165.8	0	0	113	I418 T422 C449 L456	I418-E451 HydrophobicContact CG2-CB 3.85Å; I418-E451 HydrophobicContact CG2-CG 4.33Å; T422-E451 HydrophobicContact CG2-CB 4.17Å; T422-E451 WeakPolarHBondContact CG2-O 3.36Å; C449-E451 PolarHBondContact O-N 3.44Å; C449-E451 VanDerWaalsContact O-N 3.17Å; E451-L456 WeakPolarHBondContact O-CB 3.49Å
452	E	98.1	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-16.7	175.2	-61.9	-178.1	90.4	0	0	112.1	C383 S384 T422 Q425 Y443 S447 C449 P450 L456	C383-E452 WeakPolarHBondContact CA-OE1 3.36Å; C383-E452 VanDerWaalsContact CB-OE1 3.28Å; C383-E452 WeakPolarHBondContact CB-OE1 3.44Å; S384-E452 WeakPolarHBondContact CB-OE2 3.27Å; S384-E452 PolarHBondContact N-OE1 3.37Å; S384-E452 PolarHBondContact OG-OE2 3.39Å; T422-E452 HydrophobicContact CG2-CB 4.4Å; T422-E452 HydrophobicContact CG2-CG 3.71Å; Q425-E452 PolarHBondContact NE2-OE1 2.86Å; Y443-E452 WeakPolarHBondContact CE1-O 3.3Å; Y443-E452 PolarHBondContact OH-O 3.14Å; S447-E452 VanDerWaalsContact CB-OE2 3.23Å; S447-E452 WeakPolarHBondContact CB-OE2 3.24Å; S447-E452 PolarHBondContact OG-OE2 3.29Å; C449-E452 HydrophobicContact CB-CG 4.3Å; C449-E452 PolarHBondContact O-N 3.21Å; C449-E452 VanDerWaalsContact O-N 3.08Å; P450-E452 PolarHBondContact O-N 2.73Å; E452-L456 WeakPolarHBondContact O-CB 3.32Å
453	N	97.2	Very high	96	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.032	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-105.8	-168.8	-66.4	-12.7	0	0	0	111	T445 S447 C449 P450 Q455 L456 V457 F507	T445-N453 PolarHBondContact OG1-OD1 3.46Å; S447-N453 PolarHBondContact O-ND2 3.17Å; C449-N453 PolarHBondContact O-N 2.83Å; C449-N453 PolarHBondContact O-ND2 2.71Å; P450-N453 CarbonylContact O-C 3.48Å; P450-N453 PolarHBondContact O-N 2.61Å; N453-Q455 PolarHBondContact O-N 3.2Å; N453-L456 WeakPolarHBondContact O-CB 3.27Å; N453-L456 PolarHBondContact O-N 3.27Å; N453-V457 WeakPolarHBondContact O-CG2 3.39Å; N453-V457 PolarHBondContact O-N 3.31Å; N453-F507 HydrophobicContact CB-CB 4.25Å; N453-F507 HydrophobicContact CB-CD1 3.7Å; N453-F507 HydrophobicContact CB-CD2 3.78Å; N453-F507 HydrophobicContact CB-CE1 3.87Å; N453-F507 HydrophobicContact CB-CE2 3.94Å; N453-F507 HydrophobicContact CB-CG 3.64Å; N453-F507 HydrophobicContact CB-CZ 3.99Å; N453-F507 VanDerWaalsContact CG-CB 3.5Å; N453-F507 VanDerWaalsContact CG-CG 3.44Å; N453-F507 WeakPolarHBondContact ND2-CB 3.48Å
454	E	95.6	Very high	95.3	Very high	41 Å²	41	44.9 Å²	44.9	19%	0.192	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-44.2	-173.2	-58.4	79.2	-177.4	0	0	111.9	P450 L456 V457 G458 F494 R496 F507	P450-E454 WeakPolarHBondContact CA-OE2 3.23Å; P450-E454 PolarHBondContact O-N 2.61Å; E454-L456 VanDerWaalsContact C-N 3.28Å; E454-L456 PolarHBondContact O-N 3.49Å; E454-V457 PolarHBondContact O-N 2.81Å; E454-G458 PolarHBondContact O-N 3.47Å; E454-F494 HydrophobicContact CB-CE2 4.25Å; E454-F494 HydrophobicContact CG-CD2 3.89Å; E454-F494 HydrophobicContact CG-CE2 4Å; E454-R496 VanDerWaalsContact CD-NH2 3.34Å; E454-R496 IonicContact OE1-CZ 2.77Å; E454-R496 IonicContact OE1-NE 2.82Å; E454-R496 PolarHBondContact OE1-NE 2.78Å; E454-R496 IonicContact OE1-NH2 3.19Å; E454-R496 PolarHBondContact OE1-NH2 3.44Å; E454-F507 HydrophobicContact CG-CE2 3.92Å; E454-F507 HydrophobicContact CG-CZ 4.32Å; E454-F507 WeakPolarHBondContact OE1-CE2 3.44Å
455	Q	96.5	Very high	94.1	Very high	101 Å²	101	53.2 Å²	53.2	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-69.7	-30.3	-179.4	-57.3	-179.1	8.5	0	0	111.4	P450 N453 R459	P450-Q455 HydrophobicContact CB-CG 4.09Å; P450-Q455 VanDerWaalsContact O-CB 3.28Å; P450-Q455 WeakPolarHBondContact O-CB 3.3Å; P450-Q455 PolarHBondContact O-N 3.39Å; N453-Q455 PolarHBondContact O-N 3.2Å; Q455-R459 VanDerWaalsContact O-CB 3.27Å; Q455-R459 WeakPolarHBondContact O-CB 3.35Å; Q455-R459 WeakPolarHBondContact O-CG 3.26Å; Q455-R459 PolarHBondContact O-N 3.37Å; Q455-R459 VanDerWaalsContact O-N 3.13Å; Q455-R459 PolarHBondContact O-NE 3.45Å
456	L	97.9	Very high	93	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67.9	-52.3	173.5	-169	103.4	0	0	0	110.3	T422 Q425 A426 L429 Y443 E451 E452 N453 E454 G458 R459 V460	T422-L456 HydrophobicContact CG2-CD1 4.09Å; T422-L456 WeakPolarHBondContact O-CD1 3.3Å; Q425-L456 HydrophobicContact CB-CD1 3.89Å; Q425-L456 HydrophobicContact CB-CD2 3.79Å; A426-L456 HydrophobicContact CB-CD1 4.21Å; L429-L456 HydrophobicContact CD2-CD2 4.22Å; Y443-L456 HydrophobicContact CE1-CD2 4.09Å; Y443-L456 HydrophobicContact CE2-CD2 3.82Å; Y443-L456 VanDerWaalsContact CZ-CD2 3.45Å; Y443-L456 VanDerWaalsContact OH-CD2 3.26Å; Y443-L456 WeakPolarHBondContact OH-CD2 3.5Å; E451-L456 WeakPolarHBondContact O-CB 3.49Å; E452-L456 WeakPolarHBondContact O-CB 3.32Å; N453-L456 WeakPolarHBondContact O-CB 3.27Å; N453-L456 PolarHBondContact O-N 3.27Å; E454-L456 VanDerWaalsContact C-N 3.28Å; E454-L456 PolarHBondContact O-N 3.49Å; L456-G458 PolarHBondContact O-N 3.06Å; L456-R459 PolarHBondContact O-N 3.08Å; L456-V460 HydrophobicContact CG-CG2 4.41Å; L456-V460 WeakPolarHBondContact O-CB 3.25Å; L456-V460 VanDerWaalsContact O-CG2 3.28Å; L456-V460 WeakPolarHBondContact O-CG2 3.08Å; L456-V460 PolarHBondContact O-N 3.01Å
457	V	97	Very high	91.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-46.5	-178.2	174.2	0	0	0	0	110.7	L429 Y443 N453 E454 V460 L461 V475 F494 F507 A509 L511	L429-V457 HydrophobicContact CD2-CG2 4.13Å; Y443-V457 HydrophobicContact CD1-CG2 3.89Å; Y443-V457 HydrophobicContact CE1-CG2 4.28Å; Y443-V457 HydrophobicContact CG-CG2 4.5Å; N453-V457 WeakPolarHBondContact O-CG2 3.39Å; N453-V457 PolarHBondContact O-N 3.31Å; E454-V457 PolarHBondContact O-N 2.81Å; V457-V460 PolarHBondContact O-N 2.83Å; V457-L461 HydrophobicContact CG1-CD1 3.83Å; V457-L461 HydrophobicContact CG1-CG 4.38Å; V457-L461 WeakPolarHBondContact O-CB 3.29Å; V457-L461 WeakPolarHBondContact O-CG 3.47Å; V457-L461 PolarHBondContact O-N 3.19Å; V457-V475 HydrophobicContact CG1-CG2 4.07Å; V457-F494 HydrophobicContact CB-CE1 4.29Å; V457-F494 HydrophobicContact CB-CZ 4.47Å; V457-F494 HydrophobicContact CG1-CE1 3.93Å; V457-F494 HydrophobicContact CG1-CZ 4.22Å; V457-F507 HydrophobicContact CG2-CE1 4.12Å; V457-F507 HydrophobicContact CG2-CZ 4.43Å; V457-A509 HydrophobicContact CG2-CB 3.98Å; V457-L511 HydrophobicContact CG1-CD1 4.48Å; V457-L511 HydrophobicContact CG1-CD2 3.86Å
458	G	95.4	Very high	90.9	Very high	26 Å²	26	64.5 Å²	64.5	27%	0.268	33%	0.329	S	S	.	.	H	α-helix	trans	-57.8	-54.2	176.2	0	0	0	0	0	112.2	E454 L456 V460 L461 E462	E454-G458 PolarHBondContact O-N 3.47Å; L456-G458 PolarHBondContact O-N 3.06Å; G458-V460 VanDerWaalsContact C-N 3.3Å; G458-V460 PolarHBondContact O-N 2.95Å; G458-L461 PolarHBondContact O-N 3.47Å; G458-E462 WeakPolarHBondContact O-CG 3.17Å; G458-E462 PolarHBondContact O-N 2.89Å
459	R	95.9	Very high	90	Very high	103 Å²	103	69.6 Å²	69.6	39%	0.389	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-38.4	179.2	-77	-173.8	-58.7	161.8	1.6	113.1	Q455 L456 K463	Q455-R459 VanDerWaalsContact O-CB 3.27Å; Q455-R459 WeakPolarHBondContact O-CB 3.35Å; Q455-R459 WeakPolarHBondContact O-CG 3.26Å; Q455-R459 PolarHBondContact O-N 3.37Å; Q455-R459 VanDerWaalsContact O-N 3.13Å; Q455-R459 PolarHBondContact O-NE 3.45Å; L456-R459 PolarHBondContact O-N 3.08Å; R459-K463 WeakPolarHBondContact O-CB 3.17Å; R459-K463 VanDerWaalsContact O-CG 3.29Å; R459-K463 WeakPolarHBondContact O-CG 3.18Å; R459-K463 PolarHBondContact O-N 3.47Å; R459-K463 VanDerWaalsContact O-N 3.11Å
460	V	96.9	Very high	89.3	Confident	9 Å²	9	70 Å²	70	6%	0.055	35%	0.346	C	S	.	.	H	α-helix	trans	-70.6	-44.2	179.6	172.8	0	0	0	0	110.5	A426 L429 A430 L433 L456 V457 G458 E462 K463 T464	A426-V460 HydrophobicContact CB-CG2 3.77Å; L429-V460 HydrophobicContact CB-CG1 4.16Å; L429-V460 HydrophobicContact CD2-CB 4.04Å; L429-V460 HydrophobicContact CD2-CG1 4.04Å; L429-V460 HydrophobicContact CD2-CG2 4.24Å; L429-V460 HydrophobicContact CG-CB 4.4Å; L429-V460 HydrophobicContact CG-CG1 3.85Å; A430-V460 HydrophobicContact CB-CG1 4.03Å; L433-V460 HydrophobicContact CD1-CG1 3.88Å; L456-V460 HydrophobicContact CG-CG2 4.41Å; L456-V460 WeakPolarHBondContact O-CB 3.25Å; L456-V460 VanDerWaalsContact O-CG2 3.28Å; L456-V460 WeakPolarHBondContact O-CG2 3.08Å; L456-V460 PolarHBondContact O-N 3.01Å; V457-V460 PolarHBondContact O-N 2.83Å; G458-V460 VanDerWaalsContact C-N 3.3Å; G458-V460 PolarHBondContact O-N 2.95Å; V460-E462 VanDerWaalsContact C-N 3.29Å; V460-E462 PolarHBondContact O-N 2.95Å; V460-K463 PolarHBondContact O-N 3.37Å; V460-T464 WeakPolarHBondContact CG1-OG1 3.39Å; V460-T464 VanDerWaalsContact O-CB 3.29Å; V460-T464 WeakPolarHBondContact O-CB 3.18Å; V460-T464 PolarHBondContact O-N 2.97Å; V460-T464 PolarHBondContact O-OG1 2.65Å
461	L	94.1	Very high	88.8	Confident	46 Å²	46	70 Å²	70	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-37	177.2	-73.4	172.1	0	0	0	112.5	L433 V457 G458 F473 V475 L511	L433-L461 HydrophobicContact CD1-CD2 4.05Å; V457-L461 HydrophobicContact CG1-CD1 3.83Å; V457-L461 HydrophobicContact CG1-CG 4.38Å; V457-L461 WeakPolarHBondContact O-CB 3.29Å; V457-L461 WeakPolarHBondContact O-CG 3.47Å; V457-L461 PolarHBondContact O-N 3.19Å; G458-L461 PolarHBondContact O-N 3.47Å; L461-F473 HydrophobicContact CD2-CB 3.92Å; L461-V475 HydrophobicContact CD1-CG2 3.68Å; L461-L511 HydrophobicContact CD1-CD2 4.06Å; L461-L511 HydrophobicContact CD2-CD1 4.34Å
462	E	91.8	Very high	88.4	Confident	161 Å²	161	69 Å²	69	75%	0.752	34%	0.343	S	S	*	.	H	α-helix	trans	-69.4	-38.5	176.2	-72.3	169.3	-173.7	0	0	113	G458 V460	G458-E462 WeakPolarHBondContact O-CG 3.17Å; G458-E462 PolarHBondContact O-N 2.89Å; V460-E462 VanDerWaalsContact C-N 3.29Å; V460-E462 PolarHBondContact O-N 2.95Å
463	K	88.4	Confident	88.1	Confident	150 Å²	150	69.5 Å²	69.5	65%	0.652	35%	0.345	S	S	*	.	H	α-helix	trans	-94	-16.8	-172.6	-68.9	-177.5	179	-171.2	0	114.9	R459 V460 H465	R459-K463 WeakPolarHBondContact O-CB 3.17Å; R459-K463 VanDerWaalsContact O-CG 3.29Å; R459-K463 WeakPolarHBondContact O-CG 3.18Å; R459-K463 PolarHBondContact O-N 3.47Å; R459-K463 VanDerWaalsContact O-N 3.11Å; V460-K463 PolarHBondContact O-N 3.37Å; K463-H465 PolarHBondContact O-N 3.4Å; K463-H465 VanDerWaalsContact O-N 3.11Å
464	T	82.8	Confident	87.9	Confident	26 Å²	26	76.5 Å²	76.5	16%	0.16	37%	0.371	C	S	.	.			trans	-71.7	111.6	-175.3	-59.1	0	0	0	0	109.5	L433 V460 I466	L433-T464 HydrophobicContact CB-CG2 4.21Å; V460-T464 WeakPolarHBondContact CG1-OG1 3.39Å; V460-T464 VanDerWaalsContact O-CB 3.29Å; V460-T464 WeakPolarHBondContact O-CB 3.18Å; V460-T464 PolarHBondContact O-N 2.97Å; V460-T464 PolarHBondContact O-OG1 2.65Å; T464-I466 HydrophobicContact CG2-CG1 4.16Å; T464-I466 PolarHBondContact O-N 3.49Å
465	H	72.5	Confident	87.7	Confident	186 Å²	186	75.8 Å²	75.8	86%	0.861	37%	0.369	S	S	*	.			trans	-72	100	171.5	-66.6	-66.3	0	0	0	109.5	K463	K463-H465 PolarHBondContact O-N 3.4Å; K463-H465 VanDerWaalsContact O-N 3.11Å
466	I	74.9	Confident	87.1	Confident	45 Å²	45	73.8 Å²	73.8	23%	0.231	36%	0.362	C	S	.	.			trans	-81.6	136.9	177.1	-62.8	174.4	0	0	0	108.1	T464 L470 P472	T464-I466 HydrophobicContact CG2-CG1 4.16Å; T464-I466 PolarHBondContact O-N 3.49Å; I466-L470 HydrophobicContact CG2-CB 3.56Å; I466-L470 HydrophobicContact CG2-CD1 4.49Å; I466-L470 WeakPolarHBondContact CG2-O 3.5Å; I466-P472 HydrophobicContact CD1-CB 3.97Å
467	H	74.8	Confident	85.9	Confident	89 Å²	89	75.4 Å²	75.4	41%	0.412	38%	0.379	S	S	.	.			trans	-52.1	135.5	177.1	-175	-83.3	0	0	0	110	K469 L470	H467-K469 PolarHBondContact ND1-N 3.48Å; H467-K469 PolarHBondContact O-N 3.43Å; H467-L470 HydrophobicContact CB-CD1 3.94Å; H467-L470 HydrophobicContact CB-CG 4.16Å; H467-L470 WeakPolarHBondContact O-CB 3.14Å; H467-L470 PolarHBondContact O-N 3.42Å
468	P	74.6	Confident	84.5	Confident	128 Å²	128	77.4 Å²	77.4	83%	0.831	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.2	-169.7	-28.9	34.1	0	0	0	115.7	L470	P468-L470 VanDerWaalsContact C-N 3.35Å
469	K	75.4	Confident	83.1	Confident	185 Å²	185	78.5 Å²	78.5	80%	0.804	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.2	178.4	-59.8	-176.6	-178.8	177	0	114.4	H467	H467-K469 PolarHBondContact ND1-N 3.48Å; H467-K469 PolarHBondContact O-N 3.43Å
470	L	81.9	Confident	81.8	Confident	33 Å²	33	74.7 Å²	74.7	17%	0.173	38%	0.377	C	S	.	.	S	Bend	trans	-109.4	136.4	-176.7	-64.1	178.5	0	0	0	110.2	P436 I466 H467 P468	P436-L470 HydrophobicContact CB-CD1 3.91Å; P436-L470 HydrophobicContact CB-CD2 3.71Å; P436-L470 HydrophobicContact CB-CG 4.4Å; I466-L470 HydrophobicContact CG2-CB 3.56Å; I466-L470 HydrophobicContact CG2-CD1 4.49Å; I466-L470 WeakPolarHBondContact CG2-O 3.5Å; H467-L470 HydrophobicContact CB-CD1 3.94Å; H467-L470 HydrophobicContact CB-CG 4.16Å; H467-L470 WeakPolarHBondContact O-CB 3.14Å; H467-L470 PolarHBondContact O-N 3.42Å; P468-L470 VanDerWaalsContact C-N 3.35Å
471	L	85.6	Confident	79.8	Confident	55 Å²	55	79 Å²	79	29%	0.288	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-74.1	148.6	176.9	-68.2	165.7	0	0	0	111.3	R513 Q514 A515 D516	L471-R513 HydrophobicContact CB-CG 4.31Å; L471-R513 WeakPolarHBondContact O-CG 3.28Å; L471-R513 PolarHBondContact O-NH1 3.09Å; L471-Q514 HydrophobicContact CB-CB 4.14Å; L471-Q514 WeakPolarHBondContact CB-O 3.33Å; L471-Q514 WeakPolarHBondContact CD1-O 3.35Å; L471-A515 VanDerWaalsContact CD1-C 3.49Å; L471-D516 HydrophobicContact CD1-CB 3.7Å
472	P	88.4	Confident	77.7	Confident	58 Å²	58	81.6 Å²	81.6	38%	0.377	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-70.1	151.9	-177.7	10.1	-6.7	0	0	0	112.7	I466 Q514	I466-P472 HydrophobicContact CD1-CB 3.97Å; P472-Q514 WeakPolarHBondContact O-CB 3.16Å; P472-Q514 WeakPolarHBondContact O-CG 3.16Å; P472-Q514 PolarHBondContact O-N 3.3Å; P472-Q514 PolarHBondContact O-NE2 3.04Å
473	F	92.6	Very high	75.5	Confident	10 Å²	10	80.1 Å²	80.1	4%	0.044	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	149.6	166.6	-76.7	-95.5	0	0	0	110.9	L433 V438 V441 L461 L511 S512 R513	L433-F473 HydrophobicContact CB-CD2 4.09Å; L433-F473 HydrophobicContact CB-CE2 4.2Å; L433-F473 HydrophobicContact CD2-CB 3.83Å; L433-F473 HydrophobicContact CD2-CD1 3.77Å; L433-F473 HydrophobicContact CD2-CD2 3.46Å; L433-F473 VanDerWaalsContact CD2-CD2 3.46Å; L433-F473 HydrophobicContact CD2-CE1 4.18Å; L433-F473 HydrophobicContact CD2-CE2 3.84Å; L433-F473 HydrophobicContact CD2-CG 3.41Å; L433-F473 VanDerWaalsContact CD2-CG 3.41Å; L433-F473 HydrophobicContact CD2-CZ 4.21Å; L433-F473 HydrophobicContact CG-CD2 4.35Å; L433-F473 WeakPolarHBondContact O-CE2 3.03Å; V438-F473 HydrophobicContact CG1-CE1 4.47Å; V438-F473 HydrophobicContact CG1-CZ 4.06Å; V441-F473 HydrophobicContact CG2-CE1 4.06Å; V441-F473 HydrophobicContact CG2-CZ 4.23Å; L461-F473 HydrophobicContact CD2-CB 3.92Å; F473-L511 HydrophobicContact CD1-CB 4.1Å; F473-S512 WeakPolarHBondContact CA-O 3.44Å; F473-R513 HydrophobicContact CD1-CB 4.22Å; F473-R513 HydrophobicContact CE1-CB 3.9Å; F473-R513 HydrophobicContact CE2-CB 4.45Å; F473-R513 HydrophobicContact CZ-CB 4.02Å
474	R	91.9	Very high	73.5	Confident	154 Å²	154	75.5 Å²	75.5	58%	0.581	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.4	166	-69.7	-174.7	-174.8	-138.1	2.3	110.1	N476 L511 S512 Q514	R474-N476 PolarHBondContact O-N 3.38Å; R474-L511 WeakPolarHBondContact O-CA 3.45Å; R474-S512 PolarHBondContact N-O 3.01Å; R474-S512 PolarHBondContact O-N 3.17Å; R474-Q514 HydrophobicContact CG-CG 4.18Å; R474-Q514 VanDerWaalsContact CG-NE2 3.35Å
475	V	91.5	Very high	71.3	Confident	25 Å²	25	79.6 Å²	79.6	15%	0.152	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	122.8	165.3	-170.3	0	0	0	0	107.6	V457 L461 R493 F494 L511	V457-V475 HydrophobicContact CG1-CG2 4.07Å; L461-V475 HydrophobicContact CD1-CG2 3.68Å; V475-R493 HydrophobicContact CB-CB 4.46Å; V475-R493 HydrophobicContact CG1-CB 3.78Å; V475-R493 WeakPolarHBondContact CG1-O 3.47Å; V475-F494 HydrophobicContact CB-CE1 4.32Å; V475-F494 HydrophobicContact CB-CZ 4.5Å; V475-F494 HydrophobicContact CG1-CD1 3.89Å; V475-F494 HydrophobicContact CG1-CE1 3.52Å; V475-F494 HydrophobicContact CG1-CZ 4Å; V475-F494 HydrophobicContact CG2-CE1 3.79Å; V475-F494 HydrophobicContact CG2-CZ 3.81Å; V475-L511 HydrophobicContact CB-CD2 4.25Å; V475-L511 HydrophobicContact CG2-CD2 3.74Å
476	N	84.4	Confident	69.7	Low	60 Å²	60	74.5 Å²	74.5	32%	0.321	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.4	168.2	-89.5	-24	0	0	0	107.9	R474 R510 S512	R474-N476 PolarHBondContact O-N 3.38Å; N476-R510 PolarHBondContact N-O 2.88Å; N476-R510 PolarHBondContact ND2-NH2 3.19Å; N476-R510 VanDerWaalsContact ND2-NH2 3.18Å; N476-S512 WeakPolarHBondContact ND2-CB 3.45Å; N476-S512 PolarHBondContact ND2-OG 3.37Å
477	G	74	Confident	68	Low	35 Å²	35	76.9 Å²	76.9	36%	0.361	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-52.3	163.8	-176	0	0	0	0	0	114.1	I479	G477-I479 PolarHBondContact O-N 3.1Å
478	P	66.6	Low	66.3	Low	41 Å²	41	78.9 Å²	78.9	27%	0.266	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-59.2	139.8	-174.4	27	-34.9	0	0	0	110.4	F480 S492 F495	P478-F480 VanDerWaalsContact C-N 3.27Å; P478-S492 WeakPolarHBondContact CD-O 3.23Å; P478-F495 HydrophobicContact CB-CB 3.94Å; P478-F495 HydrophobicContact CB-CD2 4.5Å
479	I	66.9	Low	64.7	Low	50 Å²	50	82.3 Å²	82.3	26%	0.256	48%	0.479	S	S	.	.	S	Bend	trans	-71.4	-31.1	176.8	-59.5	-173.8	0	0	0	110.4	V291 P294 V295 G477	V291-I479 HydrophobicContact CB-CD1 4.33Å; V291-I479 HydrophobicContact CG1-CD1 3.55Å; V291-I479 HydrophobicContact CG1-CG1 4.22Å; V291-I479 WeakPolarHBondContact O-CD1 3.46Å; P294-I479 HydrophobicContact CG-CD1 3.96Å; P294-I479 HydrophobicContact CG-CG2 3.68Å; V295-I479 HydrophobicContact CG1-CD1 4.19Å; G477-I479 PolarHBondContact O-N 3.1Å
480	F	67.7	Low	63.7	Low	23 Å²	23	76.3 Å²	76.3	10%	0.101	46%	0.458	C	S	.	.	S	Bend	trans	-84	142.6	176.3	-59.6	-50.9	0	0	0	110.6	L252 L287 V291 P478 F495	L252-F480 HydrophobicContact CB-CD1 4.19Å; L252-F480 HydrophobicContact CB-CE1 4.06Å; L252-F480 HydrophobicContact CB-CE2 4.38Å; L252-F480 HydrophobicContact CB-CG 4.44Å; L252-F480 HydrophobicContact CB-CZ 4.16Å; L252-F480 HydrophobicContact CD1-CD2 4.37Å; L252-F480 HydrophobicContact CD1-CG 4.48Å; L252-F480 HydrophobicContact CD2-CB 4.01Å; L252-F480 HydrophobicContact CD2-CD1 3.96Å; L252-F480 HydrophobicContact CD2-CG 3.96Å; L252-F480 WeakPolarHBondContact O-CE1 3.26Å; L252-F480 VanDerWaalsContact O-CZ 3.23Å; L252-F480 WeakPolarHBondContact O-CZ 3.29Å; L287-F480 HydrophobicContact CD2-CD2 4.39Å; L287-F480 HydrophobicContact CD2-CE2 3.63Å; L287-F480 HydrophobicContact CD2-CZ 4.02Å; V291-F480 HydrophobicContact CG2-CD2 3.99Å; V291-F480 HydrophobicContact CG2-CE2 3.23Å; V291-F480 HydrophobicContact CG2-CZ 3.66Å; P478-F480 VanDerWaalsContact C-N 3.27Å; F480-F495 HydrophobicContact CB-CD2 4.16Å; F480-F495 HydrophobicContact CB-CE2 4.05Å; F480-F495 HydrophobicContact CD2-CD1 4.49Å; F480-F495 HydrophobicContact CD2-CD2 4.03Å; F480-F495 HydrophobicContact CD2-CE1 4.37Å; F480-F495 AromaticContact CD2-CE2 3.89Å; F480-F495 HydrophobicContact CD2-CE2 3.89Å; F480-F495 HydrophobicContact CD2-CG 4.33Å; F480-F495 HydrophobicContact CD2-CZ 4.07Å; F480-F495 HydrophobicContact CG-CE2 4.42Å
481	P	55.8	Low	62.6	Low	99 Å²	99	77.2 Å²	77.2	64%	0.643	46%	0.463	S	S	*	.			trans	-58.4	144.5	167.8	25.1	-30.8	0	0	0	109.8	D483	P481-D483 PolarHBondContact O-N 3.47Å
482	D	49.1	Very low	61.6	Low	100 Å²	100	78.5 Å²	78.5	54%	0.535	48%	0.477	S	S	.	.			trans	-73.7	115.3	179.8	-150.5	-19.7	0	0	0	109.2	S484	D482-S484 VanDerWaalsContact CG-OG 3.26Å; D482-S484 PolarHBondContact O-N 2.84Å; D482-S484 WeakPolarHBondContact OD1-CB 3.41Å; D482-S484 PolarHBondContact OD1-N 3.43Å; D482-S484 PolarHBondContact OD1-OG 2.97Å
483	D	45.7	Very low	61.4	Low	131 Å²	131	82 Å²	82	70%	0.701	48%	0.483	S	S	*	.			trans	-79.6	-3.5	174.1	-89.2	-17.8	0	0	0	111.7	P481 A485	P481-D483 PolarHBondContact O-N 3.47Å; D483-A485 PolarHBondContact O-N 3.46Å; D483-A485 VanDerWaalsContact O-N 3.12Å
484	S	45.7	Very low	61.3	Low	53 Å²	53	82.3 Å²	82.3	37%	0.371	48%	0.484	S	S	.	.			trans	-84.7	89.2	-175.7	65	0	0	0	0	112.4	D482 S486	D482-S484 VanDerWaalsContact CG-OG 3.26Å; D482-S484 PolarHBondContact O-N 2.84Å; D482-S484 WeakPolarHBondContact OD1-CB 3.41Å; D482-S484 PolarHBondContact OD1-N 3.43Å; D482-S484 PolarHBondContact OD1-OG 2.97Å; S484-S486 PolarHBondContact O-N 3.06Å; S484-S486 VanDerWaalsContact O-N 3.09Å
485	A	37.1	Very low	61.2	Low	111 Å²	111	76 Å²	76	92%	0.917	46%	0.46	S	S	*	.			trans	-74	27.3	159.9	0	0	0	0	0	112.8	D483	D483-A485 PolarHBondContact O-N 3.46Å; D483-A485 VanDerWaalsContact O-N 3.12Å
486	S	38.7	Very low	61.2	Low	79 Å²	79	77.6 Å²	77.6	55%	0.552	46%	0.464	S	S	*	.	S	Bend	trans	-112	107.9	175.8	60.1	0	0	0	0	108.7	S484 D488	S484-S486 PolarHBondContact O-N 3.06Å; S484-S486 VanDerWaalsContact O-N 3.09Å; S486-D488 PolarHBondContact O-N 3.13Å
487	G	39.1	Very low	61.6	Low	95 Å²	95	76 Å²	76	98%	0.979	46%	0.455	S	S	*	.			trans	-67.7	57.3	-178	0	0	0	0	0	114.8
488	D	39.3	Very low	62.4	Low	131 Å²	131	80.3 Å²	80.3	70%	0.701	47%	0.466	S	S	*	.			trans	-98.2	138.9	162.5	-141.6	0.6	0	0	0	107.7	S486 T490	S486-D488 PolarHBondContact O-N 3.13Å; D488-T490 PolarHBondContact O-N 3.38Å
489	E	42	Very low	63.7	Low	200 Å²	200	79.3 Å²	79.3	94%	0.935	46%	0.459	S	S	*	.			trans	-68.3	52.6	-174	-63.6	-177.1	152.3	0	0	112.9	D491	E489-D491 PolarHBondContact O-N 3.35Å
490	T	52.9	Low	65	Low	60 Å²	60	78.6 Å²	78.6	37%	0.368	46%	0.459	S	S	.	.			trans	-73.5	125.9	174.7	47.5	0	0	0	0	109.6	D488 S492	D488-T490 PolarHBondContact O-N 3.38Å; T490-S492 PolarHBondContact O-N 2.91Å
491	D	58.9	Low	66.1	Low	51 Å²	51	82.8 Å²	82.8	27%	0.273	48%	0.479	S	S	.	.			trans	-49.2	105.1	173.4	-172.7	-6.1	0	0	0	110.1	E489 R493 F494 R496	E489-D491 PolarHBondContact O-N 3.35Å; D491-R493 VanDerWaalsContact CG-NE 3.34Å; D491-R493 PolarHBondContact O-N 3.16Å; D491-R493 WeakPolarHBondContact OD1-CB 3.18Å; D491-R493 WeakPolarHBondContact OD1-CG 3.43Å; D491-R493 IonicContact OD1-CZ 3.11Å; D491-R493 PolarHBondContact OD1-N 2.86Å; D491-R493 IonicContact OD1-NE 2.65Å; D491-R493 PolarHBondContact OD1-NE 3.11Å; D491-R493 IonicContact OD1-NH2 3.15Å; D491-R493 IonicContact OD2-CZ 3.83Å; D491-R493 VanDerWaalsContact OD2-CZ 3.3Å; D491-R493 IonicContact OD2-NE 3.08Å; D491-R493 PolarHBondContact OD2-NE 3.25Å; D491-R493 VanDerWaalsContact OD2-NE 3.12Å; D491-R493 IonicContact OD2-NH2 2.82Å; D491-R493 PolarHBondContact OD2-NH2 2.94Å; D491-F494 HydrophobicContact CB-CD2 4.32Å; D491-F494 PolarHBondContact O-N 3.01Å; D491-F494 WeakPolarHBondContact OD2-CE2 3.27Å; D491-R496 PolarHBondContact O-NH1 3.27Å
492	S	65.3	Low	67.8	Low	83 Å²	83	80.7 Å²	80.7	58%	0.58	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	0.8	-173.9	61.6	0	0	0	0	113.3	P478 T490	P478-S492 WeakPolarHBondContact CD-O 3.23Å; T490-S492 PolarHBondContact O-N 2.91Å
493	R	83.9	Confident	69.9	Low	132 Å²	132	76.1 Å²	76.1	50%	0.498	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.8	178.5	-62.2	-178.7	-66.8	-176.9	0.4	113.7	V475 D491	V475-R493 HydrophobicContact CB-CB 4.46Å; V475-R493 HydrophobicContact CG1-CB 3.78Å; V475-R493 WeakPolarHBondContact CG1-O 3.47Å; D491-R493 VanDerWaalsContact CG-NE 3.34Å; D491-R493 PolarHBondContact O-N 3.16Å; D491-R493 WeakPolarHBondContact OD1-CB 3.18Å; D491-R493 WeakPolarHBondContact OD1-CG 3.43Å; D491-R493 IonicContact OD1-CZ 3.11Å; D491-R493 PolarHBondContact OD1-N 2.86Å; D491-R493 IonicContact OD1-NE 2.65Å; D491-R493 PolarHBondContact OD1-NE 3.11Å; D491-R493 IonicContact OD1-NH2 3.15Å; D491-R493 IonicContact OD2-CZ 3.83Å; D491-R493 VanDerWaalsContact OD2-CZ 3.3Å; D491-R493 IonicContact OD2-NE 3.08Å; D491-R493 PolarHBondContact OD2-NE 3.25Å; D491-R493 VanDerWaalsContact OD2-NE 3.12Å; D491-R493 IonicContact OD2-NH2 2.82Å; D491-R493 PolarHBondContact OD2-NH2 2.94Å
494	F	89.8	Confident	72.3	Confident	15 Å²	15	70.5 Å²	70.5	7%	0.066	41%	0.405	C	S	.	.	S	Bend	trans	-119.5	149.5	-176.3	-57.2	-74	0	0	0	112.4	E454 V457 V475 D491 F507 A509	E454-F494 HydrophobicContact CB-CE2 4.25Å; E454-F494 HydrophobicContact CG-CD2 3.89Å; E454-F494 HydrophobicContact CG-CE2 4Å; V457-F494 HydrophobicContact CB-CE1 4.29Å; V457-F494 HydrophobicContact CB-CZ 4.47Å; V457-F494 HydrophobicContact CG1-CE1 3.93Å; V457-F494 HydrophobicContact CG1-CZ 4.22Å; V475-F494 HydrophobicContact CB-CE1 4.32Å; V475-F494 HydrophobicContact CB-CZ 4.5Å; V475-F494 HydrophobicContact CG1-CD1 3.89Å; V475-F494 HydrophobicContact CG1-CE1 3.52Å; V475-F494 HydrophobicContact CG1-CZ 4Å; V475-F494 HydrophobicContact CG2-CE1 3.79Å; V475-F494 HydrophobicContact CG2-CZ 3.81Å; D491-F494 HydrophobicContact CB-CD2 4.32Å; D491-F494 PolarHBondContact O-N 3.01Å; D491-F494 WeakPolarHBondContact OD2-CE2 3.27Å; F494-F507 HydrophobicContact CB-CD2 4.44Å; F494-F507 HydrophobicContact CB-CE2 3.56Å; F494-F507 HydrophobicContact CB-CZ 4.1Å; F494-F507 AromaticContact CD1-CE2 3.87Å; F494-F507 HydrophobicContact CD1-CE2 3.87Å; F494-F507 AromaticContact CD1-CZ 3.48Å; F494-F507 HydrophobicContact CD1-CZ 3.48Å; F494-F507 VanDerWaalsContact CD1-CZ 3.48Å; F494-F507 HydrophobicContact CD2-CE2 4.39Å; F494-F507 AromaticContact CE1-CZ 3.97Å; F494-F507 HydrophobicContact CE1-CZ 3.97Å; F494-F507 AromaticContact CG-CE2 3.7Å; F494-F507 HydrophobicContact CG-CE2 3.7Å; F494-F507 AromaticContact CG-CZ 3.81Å; F494-F507 HydrophobicContact CG-CZ 3.81Å; F494-A509 HydrophobicContact CD1-CB 3.63Å; F494-A509 HydrophobicContact CE1-CB 3.77Å
495	F	91.3	Very high	74.7	Confident	21 Å²	21	68 Å²	68	9%	0.092	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131	171.9	179.3	-97.6	0	0	0	110.5	L252 L287 P478 F480 L497 I508	L252-F495 HydrophobicContact CD1-CE2 4.1Å; L252-F495 HydrophobicContact CD1-CZ 3.68Å; L287-F495 HydrophobicContact CD1-CE1 4.34Å; P478-F495 HydrophobicContact CB-CB 3.94Å; P478-F495 HydrophobicContact CB-CD2 4.5Å; F480-F495 HydrophobicContact CB-CD2 4.16Å; F480-F495 HydrophobicContact CB-CE2 4.05Å; F480-F495 HydrophobicContact CD2-CD1 4.49Å; F480-F495 HydrophobicContact CD2-CD2 4.03Å; F480-F495 HydrophobicContact CD2-CE1 4.37Å; F480-F495 AromaticContact CD2-CE2 3.89Å; F480-F495 HydrophobicContact CD2-CE2 3.89Å; F480-F495 HydrophobicContact CD2-CG 4.33Å; F480-F495 HydrophobicContact CD2-CZ 4.07Å; F480-F495 HydrophobicContact CG-CE2 4.42Å; F495-L497 HydrophobicContact CE1-CB 4.07Å; F495-L497 HydrophobicContact CZ-CB 4.42Å; F495-I508 HydrophobicContact CB-CB 4.26Å; F495-I508 HydrophobicContact CD1-CB 4.26Å; F495-I508 HydrophobicContact CD1-CD1 4.01Å; F495-I508 HydrophobicContact CD1-CG1 4.18Å; F495-I508 HydrophobicContact CE1-CD1 4.44Å; F495-I508 PolarHBondContact N-O 3.35Å; F495-I508 PolarHBondContact O-N 2.83Å
496	R	91.2	Very high	77.5	Confident	59 Å²	59	63 Å²	63	22%	0.223	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.3	175.8	-65.7	173.8	-167.8	84.9	1.4	109.5	E454 D491 F507	E454-R496 VanDerWaalsContact CD-NH2 3.34Å; E454-R496 IonicContact OE1-CZ 2.77Å; E454-R496 IonicContact OE1-NE 2.82Å; E454-R496 PolarHBondContact OE1-NE 2.78Å; E454-R496 IonicContact OE1-NH2 3.19Å; E454-R496 PolarHBondContact OE1-NH2 3.44Å; D491-R496 PolarHBondContact O-NH1 3.27Å; R496-F507 HydrophobicContact CG-CD2 4.14Å
497	L	91.6	Very high	80.3	Confident	27 Å²	27	59.3 Å²	59.3	14%	0.141	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.2	165.8	-171.1	63.7	0	0	0	108.3	L287 F495 T503 N504 G505 C506	L287-L497 HydrophobicContact CD1-CD2 3.55Å; F495-L497 HydrophobicContact CE1-CB 4.07Å; F495-L497 HydrophobicContact CZ-CB 4.42Å; L497-T503 HydrophobicContact CD1-CG2 3.86Å; L497-T503 HydrophobicContact CD2-CG2 3.67Å; L497-T503 WeakPolarHBondContact CD2-OG1 3.39Å; L497-T503 HydrophobicContact CG-CG2 3.69Å; L497-N504 WeakPolarHBondContact CD2-O 3.27Å; L497-G505 CarbonylContact O-C 3.51Å; L497-G505 WeakPolarHBondContact O-CA 3.37Å; L497-C506 PolarHBondContact N-O 3.36Å; L497-C506 PolarHBondContact O-N 3.49Å
498	H	92.5	Very high	83	Confident	125 Å²	125	55 Å²	55	58%	0.579	27%	0.274	S	S	*	.			trans	-81.8	141.4	176.2	-72	-76.5	0	0	0	111	S500	H498-S500 PolarHBondContact O-N 2.98Å
499	P	94	Very high	85.6	Confident	20 Å²	20	48.7 Å²	48.7	13%	0.13	24%	0.241	C	C	.	.			trans	-61.1	130.2	174.5	-15.5	27.8	0	0	0	110	R204 A387 V448 T503	R204-P499 VanDerWaalsContact CZ-O 3.32Å; R204-P499 PolarHBondContact NH1-O 3.09Å; A387-P499 HydrophobicContact CB-CG 4.21Å; A387-P499 WeakPolarHBondContact O-CG 3.31Å; V448-P499 HydrophobicContact CG1-CG 4.37Å; P499-T503 WeakPolarHBondContact CA-O 3.27Å
500	S	93.3	Very high	88.1	Confident	36 Å²	36	42.2 Å²	42.2	25%	0.252	21%	0.208	S	C	.	.			trans	-138.7	-174	-178.6	80.1	0	0	0	0	110.7	N389 H498 F502 T503	N389-S500 PolarHBondContact ND2-O 3.26Å; H498-S500 PolarHBondContact O-N 2.98Å; S500-F502 PolarHBondContact O-N 3.45Å; S500-F502 PolarHBondContact OG-N 3.47Å; S500-F502 VanDerWaalsContact OG-N 3.1Å; S500-T503 PolarHBondContact N-O 2.86Å; S500-T503 PolarHBondContact OG-N 2.99Å
501	Q	91	Very high	90.1	Very high	111 Å²	111	39.4 Å²	39.4	52%	0.519	19%	0.19	S	C	.	.	S	Bend	trans	-69.2	-15.5	172.9	69	-165.4	23.8	0	0	113.3	S207	S207-Q501 PolarHBondContact OG-O 3.27Å
502	F	91.9	Very high	91.7	Very high	54 Å²	54	37.7 Å²	37.7	24%	0.237	18%	0.182	C	C	.	.	S	Bend	trans	-102.8	-25.2	-179.1	-57.6	-66.2	0	0	0	112.6	P209 Y211 M239 A240 S500	P209-F502 VanDerWaalsContact CD-O 3.29Å; P209-F502 WeakPolarHBondContact CD-O 3.27Å; P209-F502 WeakPolarHBondContact CG-O 3.46Å; Y211-F502 WeakPolarHBondContact CE2-O 3.42Å; Y211-F502 PolarHBondContact OH-O 2.79Å; M239-F502 HydrophobicContact CB-CD1 3.97Å; M239-F502 HydrophobicContact CB-CE1 4.35Å; M239-F502 HydrophobicContact CB-CG 4.31Å; M239-F502 WeakPolarHBondContact O-CE1 3.42Å; M239-F502 HydrophobicContact SD-CB 4.29Å; A240-F502 HydrophobicContact CB-CZ 4.03Å; S500-F502 PolarHBondContact O-N 3.45Å; S500-F502 PolarHBondContact OG-N 3.47Å; S500-F502 VanDerWaalsContact OG-N 3.1Å
503	T	93.8	Very high	93	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.031	16%	0.159	C	C	.	.			trans	-150	153.5	-169.8	-157.4	0	0	0	0	113.7	R283 N389 L497 P499 S500	R283-T503 WeakPolarHBondContact CD-OG1 3.21Å; N389-T503 PolarHBondContact ND2-O 3.14Å; N389-T503 VanDerWaalsContact ND2-O 3.15Å; L497-T503 HydrophobicContact CD1-CG2 3.86Å; L497-T503 HydrophobicContact CD2-CG2 3.67Å; L497-T503 WeakPolarHBondContact CD2-OG1 3.39Å; L497-T503 HydrophobicContact CG-CG2 3.69Å; P499-T503 WeakPolarHBondContact CA-O 3.27Å; S500-T503 PolarHBondContact N-O 2.86Å; S500-T503 PolarHBondContact OG-N 2.99Å
504	N	95.9	Very high	93.1	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.064	15%	0.148	C	C	.	.			trans	-78	155.5	164	-74.4	-39.2	0	0	0	109.4	D282 L388 N389 L497	D282-N504 PolarHBondContact OD2-ND2 2.69Å; L388-N504 HydrophobicContact CD2-CB 3.77Å; N389-N504 PolarHBondContact N-OD1 2.91Å; N389-N504 PolarHBondContact ND2-OD1 3.13Å; L497-N504 WeakPolarHBondContact CD2-O 3.27Å
505	G	95.3	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.			trans	-86.6	157.9	179.2	0	0	0	0	0	113.7	A387 L497	A387-G505 VanDerWaalsContact CB-O 3.29Å; A387-G505 WeakPolarHBondContact CB-O 3.46Å; A387-G505 PolarHBondContact O-N 3.48Å; L497-G505 CarbonylContact O-C 3.51Å; L497-G505 WeakPolarHBondContact O-CA 3.37Å
506	C	95.9	Very high	91.1	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	163.3	171.4	65.3	0	0	0	0	111.6	T445 L497	T445-C506 CarbonylContact O-C 3.6Å; T445-C506 VanDerWaalsContact O-CA 3.23Å; T445-C506 WeakPolarHBondContact O-CA 3.44Å; T445-C506 VanDerWaalsContact O-CB 3.23Å; T445-C506 WeakPolarHBondContact O-CB 3.38Å; L497-C506 PolarHBondContact N-O 3.36Å; L497-C506 PolarHBondContact O-N 3.49Å
507	F	96.4	Very high	89.6	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.6	171.3	170.3	-97.2	0	0	0	108.7	Y443 C444 T445 N453 E454 V457 F494 R496 A509	Y443-F507 HydrophobicContact CD1-CD1 4.22Å; Y443-F507 AromaticContact CD1-CE1 3.96Å; Y443-F507 HydrophobicContact CD1-CE1 3.96Å; Y443-F507 HydrophobicContact CE1-CD1 4.24Å; Y443-F507 HydrophobicContact CE1-CE1 4.16Å; C444-F507 CarbonylContact C-O 3.59Å; C444-F507 VanDerWaalsContact CA-O 3.22Å; C444-F507 WeakPolarHBondContact CA-O 3.46Å; T445-F507 PolarHBondContact N-O 2.97Å; T445-F507 PolarHBondContact O-N 2.96Å; N453-F507 HydrophobicContact CB-CB 4.25Å; N453-F507 HydrophobicContact CB-CD1 3.7Å; N453-F507 HydrophobicContact CB-CD2 3.78Å; N453-F507 HydrophobicContact CB-CE1 3.87Å; N453-F507 HydrophobicContact CB-CE2 3.94Å; N453-F507 HydrophobicContact CB-CG 3.64Å; N453-F507 HydrophobicContact CB-CZ 3.99Å; N453-F507 VanDerWaalsContact CG-CB 3.5Å; N453-F507 VanDerWaalsContact CG-CG 3.44Å; N453-F507 WeakPolarHBondContact ND2-CB 3.48Å; E454-F507 HydrophobicContact CG-CE2 3.92Å; E454-F507 HydrophobicContact CG-CZ 4.32Å; E454-F507 WeakPolarHBondContact OE1-CE2 3.44Å; V457-F507 HydrophobicContact CG2-CE1 4.12Å; V457-F507 HydrophobicContact CG2-CZ 4.43Å; F494-F507 HydrophobicContact CB-CD2 4.44Å; F494-F507 HydrophobicContact CB-CE2 3.56Å; F494-F507 HydrophobicContact CB-CZ 4.1Å; F494-F507 AromaticContact CD1-CE2 3.87Å; F494-F507 HydrophobicContact CD1-CE2 3.87Å; F494-F507 AromaticContact CD1-CZ 3.48Å; F494-F507 HydrophobicContact CD1-CZ 3.48Å; F494-F507 VanDerWaalsContact CD1-CZ 3.48Å; F494-F507 HydrophobicContact CD2-CE2 4.39Å; F494-F507 AromaticContact CE1-CZ 3.97Å; F494-F507 HydrophobicContact CE1-CZ 3.97Å; F494-F507 AromaticContact CG-CE2 3.7Å; F494-F507 HydrophobicContact CG-CE2 3.7Å; F494-F507 AromaticContact CG-CZ 3.81Å; F494-F507 HydrophobicContact CG-CZ 3.81Å; R496-F507 HydrophobicContact CG-CD2 4.14Å; F507-A509 HydrophobicContact CE1-CB 3.86Å; F507-A509 HydrophobicContact CZ-CB 4.02Å
508	I	95.8	Very high	88.1	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.8	176.7	-53.6	179.4	0	0	0	109.8	L287 V291 V442 Y443 C444 F495	L287-I508 HydrophobicContact CB-CD1 3.87Å; V291-I508 HydrophobicContact CB-CG2 4.46Å; V291-I508 HydrophobicContact CG1-CG2 4.02Å; V291-I508 HydrophobicContact CG2-CD1 4.02Å; V291-I508 HydrophobicContact CG2-CG2 4.22Å; V442-I508 HydrophobicContact CG1-CG2 4Å; Y443-I508 CarbonylContact O-C 3.55Å; Y443-I508 WeakPolarHBondContact O-CA 3.38Å; C444-I508 HydrophobicContact CB-CG1 4.25Å; F495-I508 HydrophobicContact CB-CB 4.26Å; F495-I508 HydrophobicContact CD1-CB 4.26Å; F495-I508 HydrophobicContact CD1-CD1 4.01Å; F495-I508 HydrophobicContact CD1-CG1 4.18Å; F495-I508 HydrophobicContact CE1-CD1 4.44Å; F495-I508 PolarHBondContact N-O 3.35Å; F495-I508 PolarHBondContact O-N 2.83Å
509	A	95.3	Very high	86.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.8	171	0	0	0	0	0	110.4	Y443 V457 F494 F507	Y443-A509 PolarHBondContact N-O 3.22Å; Y443-A509 PolarHBondContact O-N 2.9Å; V457-A509 HydrophobicContact CG2-CB 3.98Å; F494-A509 HydrophobicContact CD1-CB 3.63Å; F494-A509 HydrophobicContact CE1-CB 3.77Å; F507-A509 HydrophobicContact CE1-CB 3.86Å; F507-A509 HydrophobicContact CZ-CB 4.02Å
510	R	93.9	Very high	84.4	Confident	64 Å²	64	47 Å²	47	24%	0.242	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.5	169.5	-174.1	-172.3	111.7	-175	-0.5	109	T440 N476 S512	T440-R510 HydrophobicContact CG2-CG 3.91Å; N476-R510 PolarHBondContact N-O 2.88Å; N476-R510 PolarHBondContact ND2-NH2 3.19Å; N476-R510 VanDerWaalsContact ND2-NH2 3.18Å; R510-S512 PolarHBondContact NE-OG 2.79Å
511	L	94.8	Very high	82.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.5	175.4	-50.8	179.8	0	0	0	108.2	L429 L433 T440 V441 V457 L461 F473 R474 V475	L429-L511 HydrophobicContact CD1-CD1 3.87Å; L433-L511 HydrophobicContact CD1-CD1 4.43Å; L433-L511 HydrophobicContact CD2-CB 4.41Å; L433-L511 HydrophobicContact CD2-CD1 3.87Å; T440-L511 CarbonylContact C-O 3.55Å; T440-L511 VanDerWaalsContact CA-O 3.29Å; T440-L511 WeakPolarHBondContact CA-O 3.21Å; V441-L511 HydrophobicContact CB-CB 4.26Å; V441-L511 PolarHBondContact N-O 3.44Å; V441-L511 PolarHBondContact O-N 3.43Å; V457-L511 HydrophobicContact CG1-CD1 4.48Å; V457-L511 HydrophobicContact CG1-CD2 3.86Å; L461-L511 HydrophobicContact CD1-CD2 4.06Å; L461-L511 HydrophobicContact CD2-CD1 4.34Å; F473-L511 HydrophobicContact CD1-CB 4.1Å; R474-L511 WeakPolarHBondContact O-CA 3.45Å; V475-L511 HydrophobicContact CB-CD2 4.25Å; V475-L511 HydrophobicContact CG2-CD2 3.74Å
512	S	93.3	Very high	81.7	Confident	15 Å²	15	45.8 Å²	45.8	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.2	173.4	-48.1	0	0	0	0	111.2	Q439 F473 R474 N476 R510	Q439-S512 CarbonylContact O-C 3.55Å; Q439-S512 VanDerWaalsContact O-CA 3.26Å; Q439-S512 WeakPolarHBondContact O-CA 3.28Å; F473-S512 WeakPolarHBondContact CA-O 3.44Å; R474-S512 PolarHBondContact N-O 3.01Å; R474-S512 PolarHBondContact O-N 3.17Å; N476-S512 WeakPolarHBondContact ND2-CB 3.45Å; N476-S512 PolarHBondContact ND2-OG 3.37Å; R510-S512 PolarHBondContact NE-OG 2.79Å
513	R	91.7	Very high	80.8	Confident	22 Å²	22	48.7 Å²	48.7	8%	0.083	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	133	173	-168.1	173.8	-66.1	-78.2	10	108.2	L433 F435 V438 Q439 L471 F473	L433-R513 PolarHBondContact O-NH2 2.72Å; F435-R513 PolarHBondContact O-NH2 3.44Å; V438-R513 PolarHBondContact O-NE 2.94Å; Q439-R513 PolarHBondContact O-N 3.09Å; L471-R513 HydrophobicContact CB-CG 4.31Å; L471-R513 WeakPolarHBondContact O-CG 3.28Å; L471-R513 PolarHBondContact O-NH1 3.09Å; F473-R513 HydrophobicContact CD1-CB 4.22Å; F473-R513 HydrophobicContact CE1-CB 3.9Å; F473-R513 HydrophobicContact CE2-CB 4.45Å; F473-R513 HydrophobicContact CZ-CB 4.02Å
514	Q	85.6	Confident	79.8	Confident	57 Å²	57	55.8 Å²	55.8	27%	0.266	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-60.9	140.3	175.7	-77.4	168.2	64.8	0	0	110.3	L471 P472 R474	L471-Q514 HydrophobicContact CB-CB 4.14Å; L471-Q514 WeakPolarHBondContact CB-O 3.33Å; L471-Q514 WeakPolarHBondContact CD1-O 3.35Å; P472-Q514 WeakPolarHBondContact O-CB 3.16Å; P472-Q514 WeakPolarHBondContact O-CG 3.16Å; P472-Q514 PolarHBondContact O-N 3.3Å; P472-Q514 PolarHBondContact O-NE2 3.04Å; R474-Q514 HydrophobicContact CG-CG 4.18Å; R474-Q514 VanDerWaalsContact CG-NE2 3.35Å
515	A	73.6	Confident	78.9	Confident	71 Å²	71	59.3 Å²	59.3	59%	0.587	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-70.5	145.2	169.1	0	0	0	0	0	109.2	L471 P517 V520	L471-A515 VanDerWaalsContact CD1-C 3.49Å; A515-P517 VanDerWaalsContact O-CD 3.24Å; A515-P517 WeakPolarHBondContact O-CD 2.8Å; A515-P517 VanDerWaalsContact O-N 3.17Å; A515-V520 HydrophobicContact CB-CG2 3.98Å
516	D	65.4	Low	78	Confident	54 Å²	54	62.9 Å²	62.9	29%	0.289	35%	0.347	S	S	.	.			trans	-66	112.5	174.9	-175.5	-12.2	0	0	0	108.5	L471 T518 K519 V520	L471-D516 HydrophobicContact CD1-CB 3.7Å; D516-T518 PolarHBondContact O-N 2.96Å; D516-T518 WeakPolarHBondContact OD1-CB 3.43Å; D516-T518 PolarHBondContact OD1-N 3.25Å; D516-T518 PolarHBondContact OD1-OG1 3.29Å; D516-T518 PolarHBondContact OD2-OG1 3.36Å; D516-K519 HydrophobicContact CB-CB 4.14Å; D516-K519 HydrophobicContact CB-CD 4.26Å; D516-K519 HydrophobicContact CB-CG 4.2Å; D516-K519 PolarHBondContact O-N 3.43Å; D516-V520 WeakPolarHBondContact O-CG2 3.42Å; D516-V520 PolarHBondContact O-N 3.45Å; D516-V520 VanDerWaalsContact O-N 3.12Å
517	P	59.7	Low	77.2	Confident	100 Å²	100	66.9 Å²	66.9	65%	0.649	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.4	-177	24.9	-32.8	0	0	0	112	A515	A515-P517 VanDerWaalsContact O-CD 3.24Å; A515-P517 WeakPolarHBondContact O-CD 2.8Å; A515-P517 VanDerWaalsContact O-N 3.17Å
518	T	60.1	Low	76.3	Confident	121 Å²	121	69.6 Å²	69.6	74%	0.742	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.1	174.7	69.2	0	0	0	0	114	D516	D516-T518 PolarHBondContact O-N 2.96Å; D516-T518 WeakPolarHBondContact OD1-CB 3.43Å; D516-T518 PolarHBondContact OD1-N 3.25Å; D516-T518 PolarHBondContact OD1-OG1 3.29Å; D516-T518 PolarHBondContact OD2-OG1 3.36Å
519	K	56.2	Low	75.5	Confident	163 Å²	163	75.1 Å²	75.1	71%	0.709	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-3.2	176.2	-64.8	-177.3	-178.2	176.4	0	113.7	D516 E521	D516-K519 HydrophobicContact CB-CB 4.14Å; D516-K519 HydrophobicContact CB-CD 4.26Å; D516-K519 HydrophobicContact CB-CG 4.2Å; D516-K519 PolarHBondContact O-N 3.43Å; K519-E521 PolarHBondContact O-N 3.03Å; K519-E521 VanDerWaalsContact O-N 3.1Å
520	V	54	Low	74.8	Confident	89 Å²	89	76.1 Å²	76.1	54%	0.539	42%	0.419	S	S	.	.	S	Bend	trans	-70.3	106.3	169.2	-179.8	0	0	0	0	106.4	A515 D516 S522	A515-V520 HydrophobicContact CB-CG2 3.98Å; D516-V520 WeakPolarHBondContact O-CG2 3.42Å; D516-V520 PolarHBondContact O-N 3.45Å; D516-V520 VanDerWaalsContact O-N 3.12Å; V520-S522 PolarHBondContact O-N 2.97Å
521	E	54.7	Low	74.1	Confident	80 Å²	80	75.5 Å²	75.5	37%	0.374	43%	0.428	S	S	.	.			trans	-52.4	125.7	170.8	-75.1	171.5	-167.5	0	0	108.2	K519 D525 V526 R529	K519-E521 PolarHBondContact O-N 3.03Å; K519-E521 VanDerWaalsContact O-N 3.1Å; E521-D525 HydrophobicContact CB-CB 4.04Å; E521-D525 HydrophobicContact CG-CB 4.43Å; E521-V526 HydrophobicContact CB-CG2 3.83Å; E521-R529 IonicContact OE1-CZ 3.06Å; E521-R529 IonicContact OE1-NH1 3.72Å; E521-R529 PolarHBondContact OE1-NH1 3.3Å; E521-R529 IonicContact OE1-NH2 3.8Å; E521-R529 PolarHBondContact OE1-NH2 3.15Å; E521-R529 IonicContact OE2-CZ 2.72Å; E521-R529 IonicContact OE2-NE 3.84Å; E521-R529 IonicContact OE2-NH1 3.47Å; E521-R529 PolarHBondContact OE2-NH1 3.14Å; E521-R529 IonicContact OE2-NH2 3.41Å; E521-R529 PolarHBondContact OE2-NH2 3.29Å
522	S	72.3	Confident	73.1	Confident	43 Å²	43	79.8 Å²	79.8	30%	0.301	46%	0.463	S	S	.	.			trans	-60.6	156.1	177.1	70.5	0	0	0	0	108.9	V520 Q524 D525 V526	V520-S522 PolarHBondContact O-N 2.97Å; S522-Q524 PolarHBondContact O-N 3.21Å; S522-Q524 PolarHBondContact OG-N 2.92Å; S522-D525 WeakPolarHBondContact CB-OD2 3.34Å; S522-D525 PolarHBondContact N-OD2 3.28Å; S522-D525 WeakPolarHBondContact O-CA 3.48Å; S522-D525 WeakPolarHBondContact O-CB 3.43Å; S522-D525 PolarHBondContact O-N 2.96Å; S522-D525 PolarHBondContact OG-N 2.83Å; S522-D525 PolarHBondContact OG-OD2 2.77Å; S522-V526 PolarHBondContact O-N 2.95Å
523	V	72.2	Confident	72.5	Confident	114 Å²	114	86.3 Å²	86.3	69%	0.691	49%	0.49	S	S	*	.	H	α-helix	trans	-52.1	-32.5	172.6	178.3	0	0	0	0	110.4	L527	V523-L527 HydrophobicContact CG1-CD1 3.86Å; V523-L527 HydrophobicContact CG1-CG 4.29Å; V523-L527 VanDerWaalsContact O-CB 3.28Å; V523-L527 WeakPolarHBondContact O-CB 3.31Å; V523-L527 WeakPolarHBondContact O-CD1 3.31Å; V523-L527 WeakPolarHBondContact O-CG 3.33Å; V523-L527 PolarHBondContact O-N 2.98Å
524	Q	72.9	Confident	71.8	Confident	154 Å²	154	87.5 Å²	87.5	72%	0.72	51%	0.509	S	S	*	.	H	α-helix	trans	-67.3	-39.4	174.5	-69.1	171.2	-17.4	0	0	113	S522 L527 A528	S522-Q524 PolarHBondContact O-N 3.21Å; S522-Q524 PolarHBondContact OG-N 2.92Å; Q524-L527 PolarHBondContact O-N 3.44Å; Q524-A528 WeakPolarHBondContact O-CB 3.43Å; Q524-A528 PolarHBondContact O-N 3.24Å
525	D	78.3	Confident	71.2	Confident	87 Å²	87	91 Å²	91	47%	0.465	53%	0.529	S	S	.	.	H	α-helix	trans	-69.8	-38.3	176.5	-60.9	-48.6	0	0	0	112	E521 S522 A528 R529	E521-D525 HydrophobicContact CB-CB 4.04Å; E521-D525 HydrophobicContact CG-CB 4.43Å; S522-D525 WeakPolarHBondContact CB-OD2 3.34Å; S522-D525 PolarHBondContact N-OD2 3.28Å; S522-D525 WeakPolarHBondContact O-CA 3.48Å; S522-D525 WeakPolarHBondContact O-CB 3.43Å; S522-D525 PolarHBondContact O-N 2.96Å; S522-D525 PolarHBondContact OG-N 2.83Å; S522-D525 PolarHBondContact OG-OD2 2.77Å; D525-A528 PolarHBondContact O-N 3.39Å; D525-R529 VanDerWaalsContact O-CB 3.28Å; D525-R529 WeakPolarHBondContact O-CB 3.4Å; D525-R529 PolarHBondContact O-N 3.42Å
526	V	76.6	Confident	71	Confident	74 Å²	74	89.5 Å²	89.5	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-44.9	175	178.1	0	0	0	0	110.4	E521 S522 R529 A530	E521-V526 HydrophobicContact CB-CG2 3.83Å; S522-V526 PolarHBondContact O-N 2.95Å; V526-R529 PolarHBondContact O-N 3.45Å; V526-A530 WeakPolarHBondContact O-CB 3.24Å; V526-A530 PolarHBondContact O-N 2.85Å
527	L	78.8	Confident	70.4	Confident	91 Å²	91	94.6 Å²	94.6	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-65.5	-42.4	175.4	-73.1	171	0	0	0	111.8	V523 Q524 R529 A530 A531 L536	V523-L527 HydrophobicContact CG1-CD1 3.86Å; V523-L527 HydrophobicContact CG1-CG 4.29Å; V523-L527 VanDerWaalsContact O-CB 3.28Å; V523-L527 WeakPolarHBondContact O-CB 3.31Å; V523-L527 WeakPolarHBondContact O-CD1 3.31Å; V523-L527 WeakPolarHBondContact O-CG 3.33Å; V523-L527 PolarHBondContact O-N 2.98Å; Q524-L527 PolarHBondContact O-N 3.44Å; L527-R529 VanDerWaalsContact C-N 3.32Å; L527-R529 PolarHBondContact O-N 3.45Å; L527-A530 PolarHBondContact O-N 3.07Å; L527-A531 WeakPolarHBondContact O-CB 3.12Å; L527-A531 PolarHBondContact O-N 3.21Å; L527-L536 HydrophobicContact CB-CD1 4.47Å; L527-L536 HydrophobicContact CD2-CD1 3.99Å; L527-L536 WeakPolarHBondContact O-CD1 3.25Å
528	A	76.7	Confident	70.3	Confident	59 Å²	59	93.5 Å²	93.5	49%	0.488	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.9	0	0	0	0	0	111.8	Q524 D525 A531 A532	Q524-A528 WeakPolarHBondContact O-CB 3.43Å; Q524-A528 PolarHBondContact O-N 3.24Å; D525-A528 PolarHBondContact O-N 3.39Å; A528-A531 PolarHBondContact O-N 3.49Å; A528-A532 VanDerWaalsContact O-CB 3.28Å; A528-A532 WeakPolarHBondContact O-CB 3.25Å; A528-A532 PolarHBondContact O-N 2.9Å
529	R	80.3	Confident	70.2	Confident	119 Å²	119	94.2 Å²	94.2	45%	0.449	54%	0.542	S	S	.	.	H	α-helix	trans	-69.9	-38.8	174.5	-173.7	179.8	-63.3	173.2	0.9	112.5	E521 D525 V526 L527 A532 K533	E521-R529 IonicContact OE1-CZ 3.06Å; E521-R529 IonicContact OE1-NH1 3.72Å; E521-R529 PolarHBondContact OE1-NH1 3.3Å; E521-R529 IonicContact OE1-NH2 3.8Å; E521-R529 PolarHBondContact OE1-NH2 3.15Å; E521-R529 IonicContact OE2-CZ 2.72Å; E521-R529 IonicContact OE2-NE 3.84Å; E521-R529 IonicContact OE2-NH1 3.47Å; E521-R529 PolarHBondContact OE2-NH1 3.14Å; E521-R529 IonicContact OE2-NH2 3.41Å; E521-R529 PolarHBondContact OE2-NH2 3.29Å; D525-R529 VanDerWaalsContact O-CB 3.28Å; D525-R529 WeakPolarHBondContact O-CB 3.4Å; D525-R529 PolarHBondContact O-N 3.42Å; V526-R529 PolarHBondContact O-N 3.45Å; L527-R529 VanDerWaalsContact C-N 3.32Å; L527-R529 PolarHBondContact O-N 3.45Å; R529-A532 PolarHBondContact O-N 3.23Å; R529-K533 HydrophobicContact CG-CD 4.49Å; R529-K533 WeakPolarHBondContact O-CB 3.4Å; R529-K533 WeakPolarHBondContact O-CG 3.44Å; R529-K533 PolarHBondContact O-N 3.06Å
530	A	79.8	Confident	69.8	Low	21 Å²	21	92.5 Å²	92.5	17%	0.174	54%	0.54	C	S	.	.	H	α-helix	trans	-64.8	-41.4	174.4	0	0	0	0	0	111.1	V526 L527 K533 G534 L535 L536	V526-A530 WeakPolarHBondContact O-CB 3.24Å; V526-A530 PolarHBondContact O-N 2.85Å; L527-A530 PolarHBondContact O-N 3.07Å; A530-K533 PolarHBondContact O-N 3.07Å; A530-G534 PolarHBondContact O-N 3.33Å; A530-L535 HydrophobicContact CB-CB 4.37Å; A530-L535 WeakPolarHBondContact O-CB 3.31Å; A530-L535 PolarHBondContact O-N 3.31Å; A530-L536 HydrophobicContact CB-CD1 3.86Å; A530-L536 HydrophobicContact CB-CD2 4.48Å; A530-L536 HydrophobicContact CB-CG 3.83Å
531	A	79	Confident	69.1	Low	52 Å²	52	94 Å²	94	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-62.3	-47.3	172.5	0	0	0	0	0	111.9	L527 A528 K533 G534 L536	L527-A531 WeakPolarHBondContact O-CB 3.12Å; L527-A531 PolarHBondContact O-N 3.21Å; A528-A531 PolarHBondContact O-N 3.49Å; A531-K533 PolarHBondContact O-N 3.42Å; A531-G534 PolarHBondContact O-N 3.47Å; A531-L536 HydrophobicContact CB-CD1 4.11Å
532	A	74.4	Confident	68.3	Low	90 Å²	90	98 Å²	98	74%	0.744	57%	0.57	S	S	*	*	H	α-helix	trans	-65.1	-23.8	178.8	0	0	0	0	0	113.6	A528 R529	A528-A532 VanDerWaalsContact O-CB 3.28Å; A528-A532 WeakPolarHBondContact O-CB 3.25Å; A528-A532 PolarHBondContact O-N 2.9Å; R529-A532 PolarHBondContact O-N 3.23Å
533	K	81.3	Confident	66.7	Low	152 Å²	152	101.9 Å²	101.9	66%	0.661	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	5	172.9	-72.5	-174.1	175.3	-172.9	0	113.6	R529 A530 A531 L535	R529-K533 HydrophobicContact CG-CD 4.49Å; R529-K533 WeakPolarHBondContact O-CB 3.4Å; R529-K533 WeakPolarHBondContact O-CG 3.44Å; R529-K533 PolarHBondContact O-N 3.06Å; A530-K533 PolarHBondContact O-N 3.07Å; A531-K533 PolarHBondContact O-N 3.42Å; K533-L535 HydrophobicContact CB-CD1 4.04Å; K533-L535 HydrophobicContact CB-CG 4.22Å; K533-L535 PolarHBondContact O-N 3.21Å
534	G	76.7	Confident	64.9	Low	47 Å²	47	101.8 Å²	101.8	49%	0.485	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	69	15.8	-179.8	0	0	0	0	0	114.4	A530 A531 L536	A530-G534 PolarHBondContact O-N 3.33Å; A531-G534 PolarHBondContact O-N 3.47Å; G534-L536 VanDerWaalsContact C-N 3.3Å
535	L	72.8	Confident	63	Low	131 Å²	131	103 Å²	103	69%	0.686	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-6.6	-178.7	-68	165.9	0	0	0	113.1	A530 K533	A530-L535 HydrophobicContact CB-CB 4.37Å; A530-L535 WeakPolarHBondContact O-CB 3.31Å; A530-L535 PolarHBondContact O-N 3.31Å; K533-L535 HydrophobicContact CB-CD1 4.04Å; K533-L535 HydrophobicContact CB-CG 4.22Å; K533-L535 PolarHBondContact O-N 3.21Å
536	L	68.6	Low	60.9	Low	39 Å²	39	105 Å²	105	20%	0.204	62%	0.619	C	S	.	*	T	Hydrogen-bonded Turn	trans	-113	13.7	178.7	-66.4	178.9	0	0	0	113.2	L527 A530 A531 G534 G538 I539	L527-L536 HydrophobicContact CB-CD1 4.47Å; L527-L536 HydrophobicContact CD2-CD1 3.99Å; L527-L536 WeakPolarHBondContact O-CD1 3.25Å; A530-L536 HydrophobicContact CB-CD1 3.86Å; A530-L536 HydrophobicContact CB-CD2 4.48Å; A530-L536 HydrophobicContact CB-CG 3.83Å; A531-L536 HydrophobicContact CB-CD1 4.11Å; G534-L536 VanDerWaalsContact C-N 3.3Å; L536-G538 PolarHBondContact O-N 3.27Å; L536-I539 PolarHBondContact O-N 2.88Å
537	D	52.8	Low	58.8	Low	160 Å²	160	106.2 Å²	106.2	86%	0.856	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	108.8	178.9	-131.2	8.9	0	0	0	109.3
538	G	58.3	Low	56.6	Low	77 Å²	77	111.9 Å²	111.9	79%	0.794	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.7	-4.1	-179.5	0	0	0	0	0	117.3	L536	L536-G538 PolarHBondContact O-N 3.27Å
539	I	58.2	Low	54.5	Low	136 Å²	136	119.2 Å²	119.2	70%	0.697	68%	0.678	S	S	*	*	S	Bend	trans	-112.8	-7.2	-175.2	-56.1	175.9	0	0	0	113.9	L536	L536-I539 PolarHBondContact O-N 2.88Å
540	I	47.1	Very low	52.1	Low	128 Å²	128	119 Å²	119	66%	0.656	70%	0.696	S	S	*	*	S	Bend	trans	-121.8	126	177.3	-53.3	176.7	0	0	0	109.9	E542	I540-E542 PolarHBondContact O-N 2.88Å
541	P	39.8	Very low	49.9	Very low	119 Å²	119	127.9 Å²	127.9	77%	0.773	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-65.9	130.7	172.5	-13.1	27	0	0	0	110.5
542	E	36.6	Very low	47.4	Very low	166 Å²	166	137.5 Å²	137.5	78%	0.776	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-53.8	134.9	175.7	-77.4	-158.2	149.3	0	0	111.9	I540 S544	I540-E542 PolarHBondContact O-N 2.88Å; E542-S544 PolarHBondContact O-N 2.84Å
543	P	39.5	Very low	45.3	Very low	123 Å²	123	143 Å²	143	80%	0.799	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-73.5	120.4	159.4	8.4	5.5	0	0	0	109.1	K545	P543-K545 PolarHBondContact O-N 2.89Å
544	S	33.8	Very low	42.9	Very low	112 Å²	112	146 Å²	146	78%	0.783	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-48.3	126.2	176.8	53.8	0	0	0	0	113.6	E542	E542-S544 PolarHBondContact O-N 2.84Å
545	K	34.6	Very low	40.5	Very low	179 Å²	179	153.3 Å²	153.3	78%	0.778	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-60.9	137.8	167.9	-66.7	168.5	179.9	159.4	0	111	P543	P543-K545 PolarHBondContact O-N 2.89Å
546	P	33.1	Very low	38.4	Very low	129 Å²	129	158.1 Å²	158.1	84%	0.838	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-81.1	137.4	166.3	31.9	-28.9	0	0	0	110.5
547	A	32.4	Very low	36.5	Very low	100 Å²	100	162.2 Å²	162.2	83%	0.826	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-68.8	148.1	-174.9	0	0	0	0	0	113.9
548	K	33.5	Very low	35.2	Very low	210 Å²	210	158.4 Å²	158.4	91%	0.913	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.3	133.3	169.5	-71.9	173.6	175.7	171.2	0	111.3
549	K	32.6	Very low	33.7	Very low	213 Å²	213	162.5 Å²	162.5	93%	0.926	82%	0.823	S	S	*	*			trans	-126.8	154	152.2	-89.8	-173	179.4	177.5	0	111.2
550	S	28.6	Very low	32.3	Very low	116 Å²	116	160.2 Å²	160.2	81%	0.811	82%	0.819	S	S	*	*			trans	-84.8	159.2	-147.1	53.9	0	0	0	0	117.8
551	K	33.6	Very low	31.3	Very low	207 Å²	207	160 Å²	160	90%	0.9	82%	0.824	S	S	*	*			trans	-29.2	139.7	167.3	-69.5	171	173.9	170.8	0	117.6
552	R	28.2	Very low	30.8	Very low	253 Å²	253	159.4 Å²	159.4	96%	0.955	82%	0.822	S	S	*	*			trans	-148.4	129.5	135.7	-128.3	175.1	173.3	-174.7	-2.3	111.5
553	K	30.2	Very low	30.3	Very low	206 Å²	206	162.4 Å²	162.4	90%	0.896	83%	0.826	S	S	*	*			trans	-70.9	143.2	178.9	-78	172.4	169.9	174.3	0	111.8
554	K	29.2	Very low	29.6	Very low	214 Å²	214	162 Å²	162	93%	0.93	82%	0.822	S	S	*	*			trans	-160.2	139.1	130.9	-123.7	174.5	-178.5	177.3	0	113.1
555	K	27.2	Very low	29.3	Very low	202 Å²	202	161.8 Å²	161.8	88%	0.878	82%	0.82	S	S	*	*			trans	-65.9	148.1	178	-96.2	172.3	162.4	178.4	0	113.5
556	R	28.3	Very low	29.1	Very low	231 Å²	231	158.5 Å²	158.5	87%	0.872	82%	0.82	S	S	*	*				159.4	118.8	117.3	-100.7	-176.4	146.4	162.2	-8.1	109.9
557	V	28.3	Very low	29.5	Very low	125 Å²	125	158 Å²	158	76%	0.758	82%	0.817	S	S	*	*				83.9	104.7	95	174.4	0	0	0	0	113.8
558	A	27	Very low	29.3	Very low	80 Å²	80	158.4 Å²	158.4	66%	0.661	81%	0.814	S	S	*	*				48.9	143.1	125	0	0	0	0	0	124.1
559	L	26.8	Very low	29.1	Very low	164 Å²	164	152.4 Å²	152.4	86%	0.859	80%	0.798	S	S	*	*			trans	69.6	143.5	157.8	-91.9	82.4	0	0	0	116
560	S	27.1	Very low	28.9	Very low	87 Å²	87	150.9 Å²	150.9	61%	0.608	79%	0.794	S	S	*	*			cis	-175.6	162	8.1	42	0	0	0	0	107.7
561	T	26.8	Very low	28.9	Very low	125 Å²	125	154.6 Å²	154.6	77%	0.767	80%	0.799	S	S	*	*			trans	34.9	133.9	142.4	50.7	0	0	0	0	118.7
562	S	28.6	Very low	28.8	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	80%	0.796	S	S	*	*			cis	169.7	141	40.2	26.5	0	0	0	0	107.9
563	R	26.8	Very low	29.6	Very low	229 Å²	229	146.2 Å²	146.2	86%	0.864	78%	0.783	S	S	*	*				52.2	121.3	127.9	-108.7	175.6	159.1	-171	-7.8	121.5
564	T	25.5	Very low	29.6	Very low	115 Å²	115	145 Å²	145	71%	0.706	78%	0.78	S	S	*	*				76.9	131.5	128.2	41	0	0	0	0	122.9
565	S	26.9	Very low	29.7	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	77%	0.77	S	S	*	*			trans	79.8	116.5	134.2	59.9	0	0	0	0	120.4
566	S	30.6	Very low	29.9	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	76%	0.764	S	S	*	*			trans	-40.1	159.9	141.5	-25.4	0	0	0	0	112.1
567	P	41.1	Very low	30	Very low	118 Å²	118	130.3 Å²	130.3	77%	0.766	76%	0.759	S	S	*	*				-156.4	177.4	71.6	38.8	-17.4	0	0	0	117.3
568	S	27.9	Very low	30.2	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	76%	0.757	S	S	*	*			trans	76	144.9	148.2	-140.4	0	0	0	0	117
569	S	29.6	Very low	30.4	Very low	85 Å²	85	131.7 Å²	131.7	59%	0.594	76%	0.756	S	S	*	*			cis	-166.9	157.9	14.4	-16.6	0	0	0	0	110.5
570	Q	29.1	Very low	30.6	Very low	180 Å²	180	131.7 Å²	131.7	84%	0.841	76%	0.757	S	S	*	*			trans	67.6	121.1	138	-68.2	171.6	-31.8	0	0	120.8
571	E	29.2	Very low	30.6	Very low	194 Å²	194	130.8 Å²	130.8	91%	0.907	76%	0.762	S	S	*	*				-173.1	127.2	94.9	-94.9	178.4	169.7	0	0	110.8
572	E	30.1	Very low	30.7	Very low	181 Å²	181	132.7 Å²	132.7	85%	0.846	77%	0.767	S	S	*	*			trans	-87.9	179.9	155.5	-115.9	-165.5	179.3	0	0	107.9
573	P	45.9	Very low	30.8	Very low	104 Å²	104	132 Å²	132	68%	0.675	77%	0.768	S	S	*	*			cis	-134	-177.7	18.9	28.2	-0.6	0	0	0	111.7
574	E	29.8	Very low	30.9	Very low	179 Å²	179	126 Å²	126	84%	0.836	77%	0.767	S	S	*	*				-175.7	140.1	65.3	-124.4	178.9	172.2	0	0	111.6
575	A	30.7	Very low	31	Very low	87 Å²	87	123.8 Å²	123.8	72%	0.719	77%	0.767	S	S	*	*			trans	57.9	111.9	136.5	0	0	0	0	0	119.8
576	A	31.1	Very low	31	Very low	92 Å²	92	127 Å²	127	76%	0.76	78%	0.775	S	S	*	*				103.5	141.7	78.6	0	0	0	0	0	108.8
577	E	32.3	Very low	31	Very low	161 Å²	161	130.2 Å²	130.2	75%	0.752	78%	0.775	S	S	*	*			cis	-167.8	140.1	-0.6	-109	-169.9	164	0	0	103.7
578	I	32.1	Very low	30.4	Very low	142 Å²	142	131.2 Å²	131.2	73%	0.728	77%	0.774	S	S	*	*				62.3	131.7	103.8	-55.8	179.2	0	0	0	112.5
579	S	30.7	Very low	30.5	Very low	91 Å²	91	134.1 Å²	134.1	64%	0.636	78%	0.776	S	S	*	*			cis	-165.7	159.3	17.8	44	0	0	0	0	110.4
580	D	30.5	Very low	30.5	Very low	165 Å²	165	134.5 Å²	134.5	88%	0.882	78%	0.784	S	S	*	*			trans	42.9	144.5	130.9	-60.3	-30.4	0	0	0	123.9
581	G	27.9	Very low	30.6	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	79%	0.788	S	S	*	*				134.8	88	122.9	0	0	0	0	0	117.4
582	D	29.2	Very low	30.5	Very low	164 Å²	164	130.4 Å²	130.4	88%	0.877	78%	0.782	S	S	*	*			trans	55.5	126.4	130.9	-81.3	-21.3	0	0	0	124.3
583	A	29.1	Very low	30.6	Very low	92 Å²	92	131.5 Å²	131.5	76%	0.76	79%	0.787	S	S	*	*				77.8	146.7	122.5	0	0	0	0	0	123.7
584	A	29	Very low	29.8	Very low	102 Å²	102	136.4 Å²	136.4	84%	0.843	80%	0.797	S	S	*	*			trans	94.5	122.9	150.4	0	0	0	0	0	118.3
585	G	27.2	Very low	30	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	80%	0.799	S	S	*	*			trans	-76.9	-179.2	-177.9	0	0	0	0	0	114.9
586	L	28.4	Very low	30	Very low	173 Å²	173	142.9 Å²	142.9	91%	0.906	81%	0.807	S	S	*	*			trans	-174.1	151.1	138.5	-102.2	151.3	0	0	0	111.4
587	K	29.4	Very low	29.9	Very low	178 Å²	178	147.2 Å²	147.2	77%	0.774	81%	0.811	S	S	*	*			trans	-55.1	151.8	175	-59.7	163.1	174.7	174.1	0	112.1
588	N	29.2	Very low	29.8	Very low	139 Å²	139	146.9 Å²	146.9	74%	0.743	81%	0.814	S	S	*	*				-178.1	137.7	116	-97.7	-25.6	0	0	0	115.9
589	Q	29.9	Very low	29.7	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.794	82%	0.815	S	S	*	*			trans	77.9	116	135.3	-70	-177.8	26	0	0	123.6
590	A	30.3	Very low	29.7	Very low	93 Å²	93	149.1 Å²	149.1	77%	0.769	82%	0.824	S	S	*	*			trans	-33.9	150	149.7	0	0	0	0	0	118
591	K	30.9	Very low	29.8	Very low	214 Å²	214	149.9 Å²	149.9	93%	0.93	82%	0.823	S	S	*	*			trans	-146.7	119.8	137	-108.1	174.8	-177.4	175.2	0	109.4
592	G	27.2	Very low	30.5	Very low	75 Å²	75	152.1 Å²	152.1	77%	0.773	83%	0.825	S	S	*	*			trans	-85.2	158.4	172.5	0	0	0	0	0	112.3
593	Q	31.2	Very low	30.8	Very low	203 Å²	203	150 Å²	150	95%	0.949	82%	0.823	S	S	*	*			trans	-138.1	115.6	157.6	-91.8	-175.2	-8.2	0	0	109.9
594	K	30.5	Very low	31	Very low	207 Å²	207	148.9 Å²	148.9	90%	0.9	82%	0.82	S	S	*	*			trans	-78.6	136.6	162.8	-82.5	175	169.1	177.1	0	109.2
595	K	32.3	Very low	32.2	Very low	202 Å²	202	150 Å²	150	88%	0.878	82%	0.819	S	S	*	*			trans	-141.6	97.5	153.7	-110.1	-179.3	175.7	178.8	0	106.8
596	K	31.6	Very low	32.8	Very low	201 Å²	201	155 Å²	155	87%	0.874	83%	0.83	S	S	*	*				66.7	88.6	102.4	-82.7	-165.4	176.2	-174.5	0	113
597	E	29.3	Very low	33.6	Very low	182 Å²	182	158.2 Å²	158.2	85%	0.85	83%	0.83	S	S	*	*			trans	-63.5	131.6	156.8	-166.3	169.1	-155.4	0	0	109.1
598	N	30.3	Very low	34.1	Very low	154 Å²	154	161.5 Å²	161.5	82%	0.824	85%	0.854	S	S	*	*			trans	-124.8	109.5	172.3	-127.6	22.1	0	0	0	108.5
599	T	30.7	Very low	34.4	Very low	119 Å²	119	162.6 Å²	162.6	73%	0.73	86%	0.86	S	S	*	*			trans	-76.2	126.8	175	-48.3	0	0	0	0	109.4
600	L	29.8	Very low	34.6	Very low	161 Å²	161	162.2 Å²	162.2	84%	0.843	86%	0.863	S	S	*	*			trans	-124	122.9	157.6	-96.8	98.6	0	0	0	109.1
601	Q	32.6	Very low	34.9	Very low	181 Å²	181	166.1 Å²	166.1	85%	0.846	87%	0.869	S	S	*	*			trans	-121.6	164.4	164.8	-100.5	-145.7	7.5	0	0	109
602	P	43.4	Very low	35.1	Very low	115 Å²	115	163.2 Å²	163.2	75%	0.747	87%	0.865	S	S	*	*			trans	-103	155.6	-134.7	37.8	-34.6	0	0	0	114.4
603	S	34.5	Very low	35.6	Very low	119 Å²	119	168.8 Å²	168.8	83%	0.832	87%	0.871	S	S	*	*			trans	-98.2	123.5	163.2	52.9	0	0	0	0	110.2
604	G	33.5	Very low	35.9	Very low	69 Å²	69	166.5 Å²	166.5	71%	0.711	87%	0.866	S	S	*	*			trans	-80	-159	164	0	0	0	0	0	112.2
605	P	54.6	Low	36.3	Very low	127 Å²	127	163.6 Å²	163.6	83%	0.825	86%	0.863	S	S	*	*				-114.2	155.1	-99.6	36.7	-28.8	0	0	0	112.8
606	D	39.5	Very low	36.6	Very low	173 Å²	173	160.6 Å²	160.6	93%	0.925	86%	0.862	S	S	*	*			trans	-121.6	132.3	162.1	-91.4	-34.8	0	0	0	111.5
607	R	45.3	Very low	37	Very low	240 Å²	240	157.3 Å²	157.3	91%	0.906	86%	0.861	S	S	*	*			trans	-76.9	138.8	171.7	-70.2	175.3	173.6	-169.6	-2	109.4
608	L	40.7	Very low	37.7	Very low	247 Å²	247	155 Å²	155	100%	1.293	86%	0.862	S	S	*	*				-165.5	0	124.4	-101.4	160.2	0	0	0	109.5

Retrieved 608 of 608 residues in 365.3 ms (Link to these results)

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