A0A068F658_HUMAN Loading...

Glucosylceramidase

AlphaFold DB (P04062), UniProt , Accession A0A068F658, Species HUMAN (Homo sapiens, Human), Gene GBA, Length 536 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	41.4	Very low	46.1	Very low	226 Å²	226	160.7 Å²	160.7	100%	1.113	84%	0.843	S	S	*	*				0	77.2	0	-59.6	169.7	-173.2	0	0	105
2	E	41.4	Very low	46.1	Very low	163 Å²	163	157.8 Å²	157.8	76%	0.762	84%	0.84	S	S	*	*				84.3	99.7	87.8	-88.2	148.7	174.4	0	0	109.8
3	F	43.8	Very low	45.7	Very low	193 Å²	193	160.1 Å²	160.1	85%	0.846	84%	0.839	S	S	*	*				78.6	135.8	81.4	-82.5	-53.3	0	0	0	110.9
4	S	43.7	Very low	46	Very low	89 Å²	89	156.2 Å²	156.2	62%	0.622	83%	0.828	S	S	*	*			cis	-159.2	139.1	2.8	-73	0	0	0	0	108.1
5	S	46	Very low	45.6	Very low	115 Å²	115	156.1 Å²	156.1	80%	0.804	83%	0.826	S	S	*	*				74.4	132.6	84	-46.4	0	0	0	0	117.4
6	P	60.5	Low	45.2	Very low	131 Å²	131	152.1 Å²	152.1	85%	0.851	82%	0.815	S	S	*	*			trans	-120.5	175.3	-175.8	44	-34.8	0	0	0	116.8
7	S	51.1	Low	45	Very low	114 Å²	114	157.1 Å²	157.1	80%	0.797	82%	0.82	S	S	*	*			trans	-158.7	135.8	163.2	48.2	0	0	0	0	109.9
8	R	45.4	Very low	44.8	Very low	237 Å²	237	155.6 Å²	155.6	89%	0.894	82%	0.818	S	S	*	*			cis	90.8	115.9	45.4	-95.9	-161.4	-179.3	-162.8	2.6	115
9	E	51.5	Low	44.6	Very low	188 Å²	188	152.7 Å²	152.7	88%	0.879	81%	0.812	S	S	*	*			trans	164.7	113.2	150.1	-95.1	167	-163.9	0	0	106.8
10	E	44.3	Very low	44.5	Very low	194 Å²	194	152.4 Å²	152.4	91%	0.907	81%	0.809	S	S	*	*				97.7	148.3	65.3	-80.6	-163.4	-179	0	0	115.3
11	C	37.6	Very low	44.3	Very low	118 Å²	118	153.6 Å²	153.6	80%	0.797	81%	0.812	S	S	*	*			trans	-110.6	168.7	-161.9	-138.7	0	0	0	0	110.8
12	P	46.9	Very low	44.2	Very low	125 Å²	125	147.4 Å²	147.4	81%	0.812	80%	0.797	S	S	*	*				-158.6	-179.6	66	40.3	-15.8	0	0	0	120.1
13	K	39.9	Very low	44.2	Very low	188 Å²	188	142.6 Å²	142.6	82%	0.817	79%	0.791	S	S	*	*			trans	-52	-175.5	170.6	-75.6	176	178.9	176	0	118.4
14	P	50	Low	43.8	Very low	106 Å²	106	139 Å²	139	69%	0.688	79%	0.79	S	S	*	*			cis	-144.8	-167.5	-37.4	39	-18.6	0	0	0	116.6
15	L	40.7	Very low	43.7	Very low	154 Å²	154	142.5 Å²	142.5	81%	0.806	80%	0.801	S	S	*	*			trans	102.9	102.5	145.6	-77.9	163.9	0	0	0	124.3
16	S	39.6	Very low	43.1	Very low	93 Å²	93	143.6 Å²	143.6	65%	0.65	80%	0.803	S	S	*	*				103.2	146.9	116	81.5	0	0	0	0	123.9
17	R	41.1	Very low	42	Very low	237 Å²	237	140.6 Å²	140.6	89%	0.894	80%	0.796	S	S	*	*			trans	82.1	145.6	163.6	-61.8	-173.6	-178.8	-160.6	-1.4	118.7
18	V	41.8	Very low	41.3	Very low	129 Å²	129	142.7 Å²	142.7	78%	0.782	80%	0.797	S	S	*	*			cis	-173.7	164.8	-26.9	123.4	0	0	0	0	109.4
19	S	40.2	Very low	40.8	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	79%	0.793	S	S	*	*			trans	91.4	149.6	165.1	-75.6	0	0	0	0	119.5
20	I	42.3	Very low	40.2	Very low	146 Å²	146	136.6 Å²	136.6	75%	0.749	79%	0.787	S	S	*	*			cis	-168.9	163.8	-28.3	-128.9	172.1	0	0	0	111.9
21	M	40.3	Very low	39.8	Very low	179 Å²	179	134.7 Å²	134.7	88%	0.882	78%	0.782	S	S	*	*			trans	67.2	148.1	171.8	-62.3	-124.5	-145.6	0	0	119.2
22	A	40.7	Very low	39.6	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	78%	0.78	S	S	*	*			cis	-168.8	159.7	-19.1	0	0	0	0	0	107.5
23	G	40.8	Very low	39	Very low	62 Å²	62	135.4 Å²	135.4	64%	0.639	78%	0.779	S	S	*	*			cis	178.5	160.6	-5.1	0	0	0	0	0	110.7
24	S	36.3	Very low	38.6	Very low	117 Å²	117	131 Å²	131	82%	0.818	77%	0.768	S	S	*	*			trans	56.3	143.6	171.3	66.2	0	0	0	0	119.1
25	L	40.1	Very low	37.7	Very low	163 Å²	163	131 Å²	131	85%	0.853	77%	0.77	S	S	*	*			cis	-124.1	141.4	16.2	-82.4	84.5	0	0	0	113.5
26	T	34.9	Very low	37.3	Very low	138 Å²	138	134.1 Å²	134.1	85%	0.847	77%	0.772	S	S	*	*			trans	-77.9	119.6	160.4	43.3	0	0	0	0	110.8
27	G	36.1	Very low	37.3	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	78%	0.779	S	S	*	*			trans	-124.4	91	168.8	0	0	0	0	0	111.1	L29	G27-L29 VanDerWaalsContact C-N 3.3Å; G27-L29 PolarHBondContact O-N 3.3Å
28	L	36	Very low	37.9	Very low	157 Å²	157	126.8 Å²	126.8	82%	0.822	76%	0.762	S	S	*	*			trans	-71.3	90.5	165.3	-95.6	87.9	0	0	0	108.8	L30	L28-L30 PolarHBondContact O-N 3.19Å
29	L	36.5	Very low	39.2	Very low	153 Å²	153	122.7 Å²	122.7	80%	0.801	75%	0.746	S	S	*	*			trans	-75.4	83.9	162.6	-97.5	153.9	0	0	0	108.9	G27 L31	G27-L29 VanDerWaalsContact C-N 3.3Å; G27-L29 PolarHBondContact O-N 3.3Å; L29-L31 PolarHBondContact O-N 2.74Å
30	L	37.2	Very low	41.3	Very low	145 Å²	145	120.3 Å²	120.3	76%	0.759	73%	0.733	S	S	*	*			trans	-60.6	87.2	154.6	-95.3	151.5	0	0	0	107.6	L28 Q32	L28-L30 PolarHBondContact O-N 3.19Å; L30-Q32 PolarHBondContact O-N 3.02Å
31	L	36.8	Very low	43.9	Very low	154 Å²	154	116.3 Å²	116.3	81%	0.806	71%	0.708	S	S	*	*			trans	-65	84.9	162.5	-88.7	159.2	0	0	0	107.6	L29 A33	L29-L31 PolarHBondContact O-N 2.74Å; L31-A33 PolarHBondContact O-N 2.76Å
32	Q	33	Very low	46.6	Very low	162 Å²	162	112.1 Å²	112.1	76%	0.757	69%	0.694	S	S	*	*			trans	-58.9	99.4	155.3	-77	-170.3	-21.3	0	0	106.5	L30 V34	L30-Q32 PolarHBondContact O-N 3.02Å; Q32-V34 PolarHBondContact O-N 3.47Å
33	A	34.3	Very low	49.3	Very low	95 Å²	95	108.8 Å²	108.8	79%	0.785	67%	0.665	S	S	*	*			trans	-62	91.7	159.4	0	0	0	0	0	106.2	L31 S35	L31-A33 PolarHBondContact O-N 2.76Å; A33-S35 PolarHBondContact O-N 2.96Å
34	V	32.7	Very low	52.1	Low	95 Å²	95	109.5 Å²	109.5	58%	0.576	65%	0.653	S	S	*	*			trans	-65.4	93.4	171.2	-177.5	0	0	0	0	105.9	Q32 W36	Q32-V34 PolarHBondContact O-N 3.47Å; V34-W36 HydrophobicContact CG1-CG 4.24Å; V34-W36 PolarHBondContact O-N 3.1Å
35	S	30.5	Very low	55	Low	106 Å²	106	107.9 Å²	107.9	74%	0.741	64%	0.64	S	S	*	*			trans	-65.3	85.9	167.1	56.4	0	0	0	0	107.1	A33 A37	A33-S35 PolarHBondContact O-N 2.96Å; S35-A37 PolarHBondContact O-N 3.03Å
36	W	32.3	Very low	57.8	Low	221 Å²	221	103.9 Å²	103.9	84%	0.837	62%	0.616	S	S	*	*			trans	-62.8	87.3	161.6	-73.6	88.7	0	0	0	106.7	V34 S38	V34-W36 HydrophobicContact CG1-CG 4.24Å; V34-W36 PolarHBondContact O-N 3.1Å; W36-S38 PolarHBondContact O-N 3.15Å
37	A	39	Very low	60.8	Low	97 Å²	97	100.7 Å²	100.7	80%	0.802	60%	0.599	S	S	*	*			trans	-68.2	71.7	162.6	0	0	0	0	0	107.2	S35 G39	S35-A37 PolarHBondContact O-N 3.03Å; A37-G39 PolarHBondContact O-N 3.03Å
38	S	54.2	Low	63.8	Low	79 Å²	79	101 Å²	101	55%	0.552	58%	0.581	S	S	*	*			trans	-67.8	103	170.2	57.5	0	0	0	0	106.3	W36	W36-S38 PolarHBondContact O-N 3.15Å
39	G	67.8	Low	66.7	Low	43 Å²	43	97 Å²	97	44%	0.443	58%	0.577	S	S	.	*			trans	-56.6	166	174.5	0	0	0	0	0	111.9	A37 R41	A37-G39 PolarHBondContact O-N 3.03Å; G39-R41 PolarHBondContact O-N 3.13Å
40	A	85.9	Confident	69.5	Low	51 Å²	51	93.3 Å²	93.3	42%	0.421	55%	0.553	S	S	.	*			trans	-39.1	125.5	-177	0	0	0	0	0	113.9	S64 D66	A40-S64 CarbonylContact C-O 3.23Å; A40-S64 WeakPolarHBondContact CA-O 3.38Å; A40-S64 WeakPolarHBondContact CB-O 3.36Å; A40-D66 PolarHBondContact N-OD1 2.6Å
41	R	96	Very high	72.4	Confident	62 Å²	62	88.6 Å²	88.6	23%	0.234	53%	0.532	C	S	.	.	B	Isolated β-bridge	trans	-101	129.5	178.2	-63.9	-166.8	-62.2	-176.4	-0.1	109.3	G39 T60 C62 D63 S64	G39-R41 PolarHBondContact O-N 3.13Å; R41-T60 PolarHBondContact NH1-O 2.82Å; R41-C62 PolarHBondContact NE-O 3.25Å; R41-C62 PolarHBondContact NH2-O 2.88Å; R41-D63 CarbonylContact O-C 3.48Å; R41-D63 WeakPolarHBondContact O-CA 3.29Å; R41-D63 WeakPolarHBondContact O-CB 3.45Å; R41-S64 PolarHBondContact N-O 2.88Å; R41-S64 PolarHBondContact N-OG 3.23Å; R41-S64 PolarHBondContact O-N 2.83Å
42	P	96.9	Very high	75.3	Confident	91 Å²	91	81.6 Å²	81.6	59%	0.591	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-70.1	161.8	-176.8	28.7	-36.3	0	0	0	113.2	Y61 D63	P42-Y61 WeakPolarHBondContact CD-OH 3.41Å; P42-Y61 WeakPolarHBondContact O-CE1 3.36Å; P42-Y61 PolarHBondContact O-OH 2.75Å; P42-D63 WeakPolarHBondContact O-CB 3.41Å
43	C	98.1	Very high	78.5	Confident	25 Å²	25	75.1 Å²	75.1	17%	0.169	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-58	134.9	167.6	176.4	0	0	0	0	111.2	P45 C55 R87	C43-P45 VanDerWaalsContact O-CD 3.26Å; C43-P45 WeakPolarHBondContact O-CD 3.12Å; C43-C55 HydrophobicContact CB-CB 3.99Å; C43-C55 WeakPolarHBondContact CB-SG 3.36Å; C43-C55 VanDerWaalsContact SG-CA 3.54Å; C43-C55 WeakPolarHBondContact SG-CB 3.35Å; C43-C55 CovalentContact SG-SG 2.03Å; C43-C55 PolarHBondContact SG-SG 2.82Å; C43-R87 HydrophobicContact CB-CB 4.17Å; C43-R87 HydrophobicContact CB-CG 3.97Å
44	I	98.6	Very high	81.5	Confident	77 Å²	77	70.6 Å²	70.6	40%	0.395	43%	0.431	S	S	.	.			trans	-93.8	100.2	162.2	-58.5	-60.3	0	0	0	107.5	C55 V56 Y61	I44-C55 WeakPolarHBondContact O-CA 3.3Å; I44-V56 HydrophobicContact CB-CB 4.43Å; I44-V56 HydrophobicContact CG2-CB 4.36Å; I44-V56 PolarHBondContact O-N 2.82Å; I44-Y61 HydrophobicContact CD1-CE1 3.99Å; I44-Y61 HydrophobicContact CG1-CD1 3.74Å; I44-Y61 HydrophobicContact CG1-CE1 3.4Å
45	P	98.5	Very high	84.7	Confident	82 Å²	82	66.1 Å²	66.1	53%	0.532	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138	-170	31.2	-36.4	0	0	0	111.8	C43 V53 V54	C43-P45 VanDerWaalsContact O-CD 3.26Å; C43-P45 WeakPolarHBondContact O-CD 3.12Å; P45-V53 HydrophobicContact CB-CB 3.97Å; P45-V53 HydrophobicContact CB-CG1 4.11Å; P45-V53 HydrophobicContact CB-CG2 3.75Å; P45-V54 WeakPolarHBondContact CA-O 3.23Å
46	K	98.6	Very high	87.9	Confident	80 Å²	80	62.4 Å²	62.4	35%	0.348	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.3	168.2	-173.7	173.4	177.5	-178.6	0	110.8	F48 V53 V54 V56 Y451	K46-F48 HydrophobicContact CB-CE2 4.26Å; K46-F48 HydrophobicContact CD-CE2 3.63Å; K46-F48 HydrophobicContact CD-CZ 3.69Å; K46-F48 VanDerWaalsContact CE-CZ 3.4Å; K46-F48 HydrophobicContact CG-CD2 4.2Å; K46-F48 HydrophobicContact CG-CE2 3.68Å; K46-F48 HydrophobicContact CG-CZ 4.21Å; K46-V53 WeakPolarHBondContact O-CA 3.35Å; K46-V53 WeakPolarHBondContact O-CB 3.3Å; K46-V54 HydrophobicContact CB-CG2 4.11Å; K46-V54 PolarHBondContact N-O 2.81Å; K46-V54 PolarHBondContact O-N 2.9Å; K46-V56 HydrophobicContact CB-CG2 3.5Å; K46-V56 VanDerWaalsContact CB-CG2 3.5Å; K46-V56 HydrophobicContact CD-CG2 3.96Å; K46-V56 HydrophobicContact CG-CG2 4.39Å; K46-Y451 HydrophobicContact CD-CE1 4.39Å
47	S	98.3	Very high	91.1	Very high	71 Å²	71	51.9 Å²	51.9	50%	0.497	34%	0.336	S	S	.	.			trans	-90.3	143.4	170.6	-177.9	0	0	0	0	110.5	G49	S47-G49 PolarHBondContact OG-N 2.92Å; S47-G49 VanDerWaalsContact OG-N 3.15Å
48	F	97.9	Very high	93.9	Very high	76 Å²	76	49.9 Å²	49.9	33%	0.333	31%	0.312	S	S	.	.	S	Bend	trans	-119.6	24.5	169	-70	-100.1	0	0	0	111.2	K46 V54 L393 Y451	K46-F48 HydrophobicContact CB-CE2 4.26Å; K46-F48 HydrophobicContact CD-CE2 3.63Å; K46-F48 HydrophobicContact CD-CZ 3.69Å; K46-F48 VanDerWaalsContact CE-CZ 3.4Å; K46-F48 HydrophobicContact CG-CD2 4.2Å; K46-F48 HydrophobicContact CG-CE2 3.68Å; K46-F48 HydrophobicContact CG-CZ 4.21Å; F48-V54 HydrophobicContact CD2-CG2 4.17Å; F48-V54 HydrophobicContact CE2-CG2 3.72Å; F48-L393 HydrophobicContact CB-CB 3.86Å; F48-L393 HydrophobicContact CD1-CB 4.42Å; F48-L393 HydrophobicContact CD1-CD1 3.74Å; F48-L393 HydrophobicContact CD2-CB 3.61Å; F48-L393 HydrophobicContact CD2-CD1 3.99Å; F48-L393 HydrophobicContact CD2-CG 4.4Å; F48-L393 HydrophobicContact CE1-CD1 3.67Å; F48-L393 HydrophobicContact CE2-CB 4.2Å; F48-L393 HydrophobicContact CE2-CD1 3.93Å; F48-L393 HydrophobicContact CG-CB 3.73Å; F48-L393 HydrophobicContact CG-CD1 3.89Å; F48-L393 HydrophobicContact CG-CG 4.47Å; F48-L393 HydrophobicContact CZ-CD1 3.75Å; F48-Y451 HydrophobicContact CE2-CD1 4.45Å; F48-Y451 HydrophobicContact CE2-CE1 4.34Å; F48-Y451 HydrophobicContact CZ-CE1 4.05Å; F48-Y451 HydrophobicContact CZ-CE2 4.03Å; F48-Y451 AromaticContact CZ-CZ 3.78Å
49	G	96.9	Very high	96.1	Very high	72 Å²	72	47.5 Å²	47.5	74%	0.742	30%	0.297	S	S	*	.	S	Bend	trans	88.6	0.6	179	0	0	0	0	0	115.6	S47	S47-G49 PolarHBondContact OG-N 2.92Å; S47-G49 VanDerWaalsContact OG-N 3.15Å
50	Y	97.1	Very high	97.5	Very high	75 Å²	75	50.9 Å²	50.9	29%	0.294	31%	0.309	S	S	.	.	S	Bend	trans	-86.9	-179.8	174.1	-71.5	-70.7	0	0	0	113	S52 Q389 R392 L393	Y50-S52 PolarHBondContact O-N 2.92Å; Y50-S52 VanDerWaalsContact O-N 3.1Å; Y50-Q389 PolarHBondContact OH-OE1 2.78Å; Y50-R392 HydrophobicContact CD1-CB 4.23Å; Y50-R392 HydrophobicContact CD1-CG 4.45Å; Y50-R392 HydrophobicContact CD2-CB 4.23Å; Y50-R392 HydrophobicContact CE1-CB 3.97Å; Y50-R392 HydrophobicContact CE1-CG 3.76Å; Y50-R392 HydrophobicContact CE2-CB 3.95Å; Y50-R392 HydrophobicContact CE2-CG 4.22Å; Y50-R392 HydrophobicContact CG-CB 4.36Å; Y50-L393 VanDerWaalsContact CD2-O 3.3Å; Y50-L393 WeakPolarHBondContact CD2-O 3.16Å
51	S	97.3	Very high	98.1	Very high	46 Å²	46	51.3 Å²	51.3	32%	0.322	30%	0.301	S	S	.	.	S	Bend	trans	-66.4	-9.1	-170.9	49.8	0	0	0	0	115.6	R83 W396 D397	S51-R83 WeakPolarHBondContact O-CG 3.39Å; S51-W396 PolarHBondContact OG-N 3.22Å; S51-W396 VanDerWaalsContact OG-N 3.14Å; S51-D397 PolarHBondContact OG-OD2 3.01Å
52	S	98.5	Very high	98.2	Very high	7 Å²	7	48.5 Å²	48.5	5%	0.049	29%	0.29	C	S	.	.	S	Bend	trans	-155.3	-165.4	173.8	-163.1	0	0	0	0	110.8	Y50 R83 R87 G394	Y50-S52 PolarHBondContact O-N 2.92Å; Y50-S52 VanDerWaalsContact O-N 3.1Å; S52-R83 WeakPolarHBondContact CB-O 3.11Å; S52-R83 PolarHBondContact OG-O 3.44Å; S52-R87 PolarHBondContact OG-NH2 2.79Å; S52-G394 CarbonylContact C-O 3.58Å; S52-G394 VanDerWaalsContact C-O 3.3Å; S52-G394 WeakPolarHBondContact CA-O 3.04Å; S52-G394 WeakPolarHBondContact CB-O 3.06Å; S52-G394 PolarHBondContact N-O 3.16Å
53	V	98.7	Very high	98.3	Very high	27 Å²	27	44.5 Å²	44.5	16%	0.164	26%	0.264	C	S	.	.			trans	-108.2	151.3	-177.9	-62.3	0	0	0	0	112.1	P45 K46 R87	P45-V53 HydrophobicContact CB-CB 3.97Å; P45-V53 HydrophobicContact CB-CG1 4.11Å; P45-V53 HydrophobicContact CB-CG2 3.75Å; K46-V53 WeakPolarHBondContact O-CA 3.35Å; K46-V53 WeakPolarHBondContact O-CB 3.3Å; V53-R87 PolarHBondContact O-NH2 2.77Å
54	V	98.8	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	160.1	158.3	-57.7	0	0	0	0	109.8	P45 K46 F48 L393 G394 Y451 K452	P45-V54 WeakPolarHBondContact CA-O 3.23Å; K46-V54 HydrophobicContact CB-CG2 4.11Å; K46-V54 PolarHBondContact N-O 2.81Å; K46-V54 PolarHBondContact O-N 2.9Å; F48-V54 HydrophobicContact CD2-CG2 4.17Å; F48-V54 HydrophobicContact CE2-CG2 3.72Å; V54-L393 HydrophobicContact CG1-CB 4.08Å; V54-L393 HydrophobicContact CG1-CD2 4.16Å; V54-G394 VanDerWaalsContact CG1-N 3.27Å; V54-Y451 HydrophobicContact CG2-CD1 3.8Å; V54-Y451 HydrophobicContact CG2-CG 4.05Å; V54-K452 WeakPolarHBondContact CA-O 3.21Å
55	C	98.8	Very high	97.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.7	166	-56.3	0	0	0	0	109.7	C43 I44 Y451 K452 Y457	C43-C55 HydrophobicContact CB-CB 3.99Å; C43-C55 WeakPolarHBondContact CB-SG 3.36Å; C43-C55 VanDerWaalsContact SG-CA 3.54Å; C43-C55 WeakPolarHBondContact SG-CB 3.35Å; C43-C55 CovalentContact SG-SG 2.03Å; C43-C55 PolarHBondContact SG-SG 2.82Å; I44-C55 WeakPolarHBondContact O-CA 3.3Å; C55-Y451 WeakPolarHBondContact O-CA 3.45Å; C55-K452 HydrophobicContact CB-CB 4.34Å; C55-K452 PolarHBondContact N-O 3.25Å; C55-K452 PolarHBondContact O-N 2.9Å; C55-Y457 HydrophobicContact CB-CE2 4.42Å; C55-Y457 WeakPolarHBondContact CB-OH 3.47Å; C55-Y457 VanDerWaalsContact SG-CZ 3.6Å; C55-Y457 PolarHBondContact SG-OH 3.22Å
56	V	98.8	Very high	97.3	Very high	28 Å²	28	41.4 Å²	41.4	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.6	-175.9	-174.6	0	0	0	0	110	I44 K46 T449 Y451	I44-V56 HydrophobicContact CB-CB 4.43Å; I44-V56 HydrophobicContact CG2-CB 4.36Å; I44-V56 PolarHBondContact O-N 2.82Å; K46-V56 HydrophobicContact CB-CG2 3.5Å; K46-V56 VanDerWaalsContact CB-CG2 3.5Å; K46-V56 HydrophobicContact CD-CG2 3.96Å; K46-V56 HydrophobicContact CG-CG2 4.39Å; V56-T449 HydrophobicContact CG1-CG2 3.7Å; V56-Y451 HydrophobicContact CG1-CD1 4.44Å; V56-Y451 HydrophobicContact CG1-CE1 4.17Å; V56-Y451 HydrophobicContact CG2-CD1 4.07Å; V56-Y451 HydrophobicContact CG2-CE1 4.08Å
57	C	98.9	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.2	173.8	-63.4	0	0	0	0	110.9	Y61 C62 T449 F450	C57-Y61 CarbonylContact C-O 3.56Å; C57-Y61 WeakPolarHBondContact CA-O 3.28Å; C57-C62 HydrophobicContact CB-CB 3.49Å; C57-C62 VanDerWaalsContact CB-CB 3.49Å; C57-C62 WeakPolarHBondContact CB-SG 3.41Å; C57-C62 WeakPolarHBondContact SG-CA 3.38Å; C57-C62 WeakPolarHBondContact SG-CB 3.49Å; C57-C62 CovalentContact SG-SG 2.04Å; C57-C62 PolarHBondContact SG-SG 2.85Å; C57-T449 CarbonylContact O-C 3.5Å; C57-T449 VanDerWaalsContact O-CA 3.27Å; C57-T449 WeakPolarHBondContact O-CA 3.17Å; C57-T449 WeakPolarHBondContact O-CG2 3.33Å; C57-F450 HydrophobicContact CB-CD1 3.88Å; C57-F450 HydrophobicContact CB-CD2 3.81Å; C57-F450 HydrophobicContact CB-CE1 3.46Å; C57-F450 VanDerWaalsContact CB-CE1 3.46Å; C57-F450 HydrophobicContact CB-CE2 3.41Å; C57-F450 VanDerWaalsContact CB-CE2 3.41Å; C57-F450 HydrophobicContact CB-CG 4.04Å; C57-F450 HydrophobicContact CB-CZ 3.22Å; C57-F450 PolarHBondContact N-O 2.62Å; C57-F450 PolarHBondContact O-N 3.5Å
58	N	98.6	Very high	95.5	Very high	56 Å²	56	39 Å²	39	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-167.5	178.9	66.5	20.5	0	0	0	110	T60 Y61 L142 D448	N58-T60 PolarHBondContact O-N 2.85Å; N58-T60 VanDerWaalsContact O-N 3.14Å; N58-T60 PolarHBondContact OD1-N 2.77Å; N58-T60 PolarHBondContact OD1-OG1 2.7Å; N58-Y61 PolarHBondContact N-O 3.37Å; N58-Y61 PolarHBondContact OD1-N 2.71Å; N58-L142 WeakPolarHBondContact O-CD1 3.4Å; N58-D448 WeakPolarHBondContact CA-O 3.26Å
59	A	98.5	Very high	94.2	Very high	29 Å²	29	38.9 Å²	38.9	24%	0.24	24%	0.239	C	C	.	.	S	Bend	trans	-55.6	-27	-179.1	0	0	0	0	0	116.4	P138 A139	A59-P138 HydrophobicContact CB-CB 4.18Å; A59-P138 VanDerWaalsContact O-CB 3.25Å; A59-P138 WeakPolarHBondContact O-CB 3.37Å; A59-A139 HydrophobicContact CB-CB 4.39Å
60	T	98.1	Very high	93.7	Very high	113 Å²	113	37.2 Å²	37.2	69%	0.693	21%	0.211	S	C	*	.	S	Bend	trans	-114.8	-25.6	-174.1	60	0	0	0	0	113.3	R41 N58	R41-T60 PolarHBondContact NH1-O 2.82Å; N58-T60 PolarHBondContact O-N 2.85Å; N58-T60 VanDerWaalsContact O-N 3.14Å; N58-T60 PolarHBondContact OD1-N 2.77Å; N58-T60 PolarHBondContact OD1-OG1 2.7Å
61	Y	98.6	Very high	93.3	Very high	61 Å²	61	34 Å²	34	24%	0.239	20%	0.2	C	C	.	.			trans	-125.7	135	-175.7	-161.3	-78.6	0	0	0	112.3	P42 I44 C57 N58	P42-Y61 WeakPolarHBondContact CD-OH 3.41Å; P42-Y61 WeakPolarHBondContact O-CE1 3.36Å; P42-Y61 PolarHBondContact O-OH 2.75Å; I44-Y61 HydrophobicContact CD1-CE1 3.99Å; I44-Y61 HydrophobicContact CG1-CD1 3.74Å; I44-Y61 HydrophobicContact CG1-CE1 3.4Å; C57-Y61 CarbonylContact C-O 3.56Å; C57-Y61 WeakPolarHBondContact CA-O 3.28Å; N58-Y61 PolarHBondContact N-O 3.37Å; N58-Y61 PolarHBondContact OD1-N 2.71Å
62	C	98.6	Very high	93.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	21%	0.213	C	C	.	.			trans	-155.7	144.4	159.8	-165.3	0	0	0	0	109.3	R41 C57 L142 F450	R41-C62 PolarHBondContact NE-O 3.25Å; R41-C62 PolarHBondContact NH2-O 2.88Å; C57-C62 HydrophobicContact CB-CB 3.49Å; C57-C62 VanDerWaalsContact CB-CB 3.49Å; C57-C62 WeakPolarHBondContact CB-SG 3.41Å; C57-C62 WeakPolarHBondContact SG-CA 3.38Å; C57-C62 WeakPolarHBondContact SG-CB 3.49Å; C57-C62 CovalentContact SG-SG 2.04Å; C57-C62 PolarHBondContact SG-SG 2.85Å; C62-L142 HydrophobicContact CB-CB 4.03Å; C62-L142 HydrophobicContact CB-CD1 4.32Å; C62-L142 HydrophobicContact CB-CD2 4.22Å; C62-L142 HydrophobicContact CB-CG 4.42Å; C62-F450 HydrophobicContact CB-CZ 4.35Å; C62-F450 VanDerWaalsContact SG-CZ 3.55Å
63	D	98.2	Very high	93.1	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	23%	0.234	C	C	.	.			trans	-64.4	138.7	176.2	64.4	-63.5	0	0	0	111	R41 P42 K452 Y457	R41-D63 CarbonylContact O-C 3.48Å; R41-D63 WeakPolarHBondContact O-CA 3.29Å; R41-D63 WeakPolarHBondContact O-CB 3.45Å; P42-D63 WeakPolarHBondContact O-CB 3.41Å; D63-K452 PolarHBondContact O-NZ 3.22Å; D63-K452 WeakPolarHBondContact OD1-CD 3.38Å; D63-K452 WeakPolarHBondContact OD1-CE 3.4Å; D63-K452 IonicContact OD1-NZ 3.28Å; D63-K452 PolarHBondContact OD1-NZ 2.99Å; D63-K452 IonicContact OD2-NZ 2.81Å; D63-K452 PolarHBondContact OD2-NZ 2.82Å; D63-Y457 PolarHBondContact OD1-OH 3Å; D63-Y457 WeakPolarHBondContact OD2-CE1 3.48Å; D63-Y457 PolarHBondContact OD2-OH 3.09Å
64	S	97	Very high	93	Very high	19 Å²	19	39.7 Å²	39.7	13%	0.133	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-146.4	151.2	-173.5	58.4	0	0	0	0	110	A40 R41	A40-S64 CarbonylContact C-O 3.23Å; A40-S64 WeakPolarHBondContact CA-O 3.38Å; A40-S64 WeakPolarHBondContact CB-O 3.36Å; R41-S64 PolarHBondContact N-O 2.88Å; R41-S64 PolarHBondContact N-OG 3.23Å; R41-S64 PolarHBondContact O-N 2.83Å
65	F	91.8	Very high	92.9	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.088	25%	0.253	C	S	.	.			trans	-105.1	156.7	-180	-49.9	-67.3	0	0	0	110.2	M88 E151 G152 I153 Y457 K464	F65-M88 HydrophobicContact CD1-CB 4.31Å; F65-M88 HydrophobicContact CE1-CB 3.59Å; F65-M88 HydrophobicContact CE1-CG 4.45Å; F65-M88 HydrophobicContact CE1-SD 4.28Å; F65-M88 HydrophobicContact CE2-CE 4.17Å; F65-M88 HydrophobicContact CE2-SD 3.93Å; F65-M88 HydrophobicContact CZ-CB 3.9Å; F65-M88 HydrophobicContact CZ-CE 4.23Å; F65-M88 HydrophobicContact CZ-CG 4.27Å; F65-M88 HydrophobicContact CZ-SD 3.59Å; F65-M88 VanDerWaalsContact CZ-SD 3.59Å; F65-E151 PolarHBondContact N-O 3Å; F65-E151 VanDerWaalsContact O-CA 3.23Å; F65-E151 WeakPolarHBondContact O-CA 3.35Å; F65-E151 WeakPolarHBondContact O-CB 3.41Å; F65-G152 WeakPolarHBondContact CD2-O 3.24Å; F65-I153 HydrophobicContact CE2-CG2 3.98Å; F65-Y457 HydrophobicContact CZ-CD1 4.22Å; F65-Y457 HydrophobicContact CZ-CE1 4.01Å; F65-K464 HydrophobicContact CD2-CD 4.18Å; F65-K464 HydrophobicContact CG-CD 4.5Å
66	D	85.5	Confident	92.9	Very high	80 Å²	80	42.1 Å²	42.1	43%	0.428	26%	0.256	S	S	.	.			trans	-69.4	158	157.9	-55.8	-47.3	0	0	0	109.2	A40 K464	A40-D66 PolarHBondContact N-OD1 2.6Å; D66-K464 PolarHBondContact O-NZ 3.05Å
67	P	80.7	Confident	92.8	Very high	66 Å²	66	40.8 Å²	40.8	43%	0.429	25%	0.248	S	C	.	.			trans	-54.9	152.2	171.7	-26.5	36	0	0	0	111.9	T69	P67-T69 PolarHBondContact O-N 3.14Å; P67-T69 PolarHBondContact O-OG1 3.03Å
68	P	77.7	Confident	92.8	Very high	34 Å²	34	42.4 Å²	42.4	22%	0.221	25%	0.254	C	S	.	.			trans	-59.9	109.8	-178.8	-24.5	35.2	0	0	0	113	K464 F465	P68-K464 HydrophobicContact CG-CG 4.07Å; P68-F465 HydrophobicContact CB-CD1 4.24Å; P68-F465 HydrophobicContact CB-CE1 4.3Å; P68-F465 HydrophobicContact CG-CD1 4.24Å; P68-F465 HydrophobicContact CG-CE1 4.26Å
69	T	72.2	Confident	92.7	Very high	74 Å²	74	40 Å²	40	45%	0.454	24%	0.241	S	C	.	.			trans	-92.9	110.9	179.1	-53.9	0	0	0	0	110.7	P67 S77	P67-T69 PolarHBondContact O-N 3.14Å; P67-T69 PolarHBondContact O-OG1 3.03Å; T69-S77 PolarHBondContact O-OG 3.44Å
70	F	85.2	Confident	92.7	Very high	37 Å²	37	38.8 Å²	38.8	16%	0.162	23%	0.23	C	C	.	.			trans	-68.6	121.7	165.2	-77.1	-71.7	0	0	0	109.8	H490 S494 L532 R534	F70-H490 AromaticContact CZ-CE1 3.7Å; F70-H490 AromaticContact CZ-ND1 3.66Å; F70-S494 VanDerWaalsContact CE1-CB 3.44Å; F70-S494 WeakPolarHBondContact CE1-OG 3.49Å; F70-S494 WeakPolarHBondContact CZ-OG 3.36Å; F70-L532 HydrophobicContact CD1-CB 4.31Å; F70-L532 HydrophobicContact CE1-CB 4.11Å; F70-L532 HydrophobicContact CE1-CD2 4.23Å; F70-R534 HydrophobicContact CB-CG 4.16Å
71	P	88.9	Confident	92.8	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.052	20%	0.197	C	C	.	.			trans	-69.4	175.1	-176.9	34.5	-39.3	0	0	0	111.2	T75 S77 M92 R534	P71-T75 HydrophobicContact CB-CG2 3.85Å; P71-T75 HydrophobicContact CG-CG2 4.45Å; P71-T75 WeakPolarHBondContact CG-O 3.49Å; P71-S77 WeakPolarHBondContact CD-OG 3.39Å; P71-M92 HydrophobicContact CB-SD 4.35Å; P71-R534 VanDerWaalsContact O-CD 3.26Å; P71-R534 WeakPolarHBondContact O-CD 3.32Å; P71-R534 PolarHBondContact O-NE 2.97Å; P71-R534 VanDerWaalsContact O-NE 3.08Å
72	A	94.7	Very high	92.8	Very high	72 Å²	72	30.8 Å²	30.8	60%	0.595	19%	0.187	S	C	*	.			trans	-60.9	152.6	169.4	0	0	0	0	0	111.2	G74 T75	A72-G74 PolarHBondContact O-N 3.46Å; A72-T75 WeakPolarHBondContact O-CB 3.26Å; A72-T75 PolarHBondContact O-N 3.15Å
73	L	96	Very high	92.8	Very high	96 Å²	96	35.3 Å²	35.3	50%	0.503	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	138.9	174.8	-174.6	66	0	0	0	110.5	T75 V516 R534	L73-T75 VanDerWaalsContact C-N 3.31Å; L73-V516 HydrophobicContact CD1-CG1 4.1Å; L73-R534 HydrophobicContact CD1-CB 4.33Å
74	G	96.8	Very high	92.8	Very high	31 Å²	31	40.2 Å²	40.2	32%	0.32	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	3.3	-173.3	0	0	0	0	0	114.9	A72 I95	A72-G74 PolarHBondContact O-N 3.46Å; G74-I95 PolarHBondContact O-N 2.85Å
75	T	98	Very high	92.8	Very high	40 Å²	40	40.4 Å²	40.4	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.2	171.8	-55.2	0	0	0	0	109.7	P71 A72 L73 M92 G93	P71-T75 HydrophobicContact CB-CG2 3.85Å; P71-T75 HydrophobicContact CG-CG2 4.45Å; P71-T75 WeakPolarHBondContact CG-O 3.49Å; A72-T75 WeakPolarHBondContact O-CB 3.26Å; A72-T75 PolarHBondContact O-N 3.15Å; L73-T75 VanDerWaalsContact C-N 3.31Å; T75-M92 HydrophobicContact CG2-CB 4.03Å; T75-M92 HydrophobicContact CG2-SD 4.4Å; T75-G93 CarbonylContact C-O 3.57Å; T75-G93 WeakPolarHBondContact CA-O 3.41Å; T75-G93 WeakPolarHBondContact CG2-O 3.46Å
76	F	97.8	Very high	93.1	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.8	169.3	70	-93.9	0	0	0	111.4	R78 M92 G93 P94 I95 L519 Y531 L532 W533	F76-R78 HydrophobicContact CD2-CB 4.22Å; F76-R78 HydrophobicContact CE2-CB 4.02Å; F76-M92 CarbonylContact O-C 3.44Å; F76-M92 VanDerWaalsContact O-CA 3.22Å; F76-M92 WeakPolarHBondContact O-CA 3.39Å; F76-G93 WeakPolarHBondContact CD1-O 3.21Å; F76-G93 PolarHBondContact N-O 3.02Å; F76-G93 PolarHBondContact O-N 3.49Å; F76-P94 WeakPolarHBondContact CE1-O 3.5Å; F76-I95 HydrophobicContact CB-CD1 4.48Å; F76-I95 HydrophobicContact CB-CG1 4.35Å; F76-I95 HydrophobicContact CD1-CG1 4.09Å; F76-L519 HydrophobicContact CB-CD2 3.57Å; F76-L519 HydrophobicContact CB-CG 4.11Å; F76-L519 HydrophobicContact CD1-CB 3.98Å; F76-L519 HydrophobicContact CD1-CD2 3.78Å; F76-L519 HydrophobicContact CD1-CG 3.55Å; F76-L519 HydrophobicContact CD2-CD2 4.07Å; F76-L519 HydrophobicContact CE1-CB 3.95Å; F76-L519 HydrophobicContact CE1-CD2 4.44Å; F76-L519 HydrophobicContact CE1-CG 4.06Å; F76-L519 HydrophobicContact CG-CD2 3.55Å; F76-L519 HydrophobicContact CG-CG 3.89Å; F76-L519 HydrophobicContact CZ-CB 4.48Å; F76-Y531 AromaticContact CD2-CD1 3.85Å; F76-Y531 HydrophobicContact CD2-CD1 3.85Å; F76-Y531 HydrophobicContact CD2-CE1 4.42Å; F76-Y531 AromaticContact CE2-CD1 3.86Å; F76-Y531 HydrophobicContact CE2-CD1 3.86Å; F76-Y531 AromaticContact CE2-CE1 3.96Å; F76-Y531 HydrophobicContact CE2-CE1 3.96Å; F76-L532 CarbonylContact C-O 3.43Å; F76-L532 WeakPolarHBondContact CA-O 3.31Å; F76-W533 HydrophobicContact CB-CB 4.18Å
77	S	97.7	Very high	93.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.9	167.3	-69.7	0	0	0	0	108.9	T69 P71 Y531 L532	T69-S77 PolarHBondContact O-OG 3.44Å; P71-S77 WeakPolarHBondContact CD-OG 3.39Å; S77-Y531 CarbonylContact O-C 3.56Å; S77-Y531 VanDerWaalsContact O-CA 3.31Å; S77-Y531 WeakPolarHBondContact O-CA 3.18Å; S77-L532 PolarHBondContact N-O 3.29Å; S77-L532 PolarHBondContact O-N 3.47Å
78	R	97.7	Very high	94.5	Very high	34 Å²	34	38.2 Å²	38.2	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117	176.8	-179.5	-164.3	74.7	108.8	8.9	109.3	F76 E80 S91 H529 T530 Y531	F76-R78 HydrophobicContact CD2-CB 4.22Å; F76-R78 HydrophobicContact CE2-CB 4.02Å; R78-E80 IonicContact CZ-OE1 2.84Å; R78-E80 IonicContact CZ-OE2 2.82Å; R78-E80 IonicContact NH1-OE1 2.84Å; R78-E80 PolarHBondContact NH1-OE1 2.86Å; R78-E80 IonicContact NH1-OE2 3.82Å; R78-E80 PolarHBondContact NH1-OE2 2.83Å; R78-E80 IonicContact NH2-OE1 3.69Å; R78-E80 IonicContact NH2-OE2 3.88Å; R78-E80 PolarHBondContact NH2-OE2 3.48Å; R78-S91 PolarHBondContact N-O 2.99Å; R78-S91 PolarHBondContact NE-OG 3.45Å; R78-S91 PolarHBondContact NH2-OG 2.94Å; R78-S91 PolarHBondContact O-N 2.95Å; R78-S91 PolarHBondContact O-OG 3.04Å; R78-S91 VanDerWaalsContact O-OG 3.07Å; R78-H529 PolarHBondContact NH1-CE1 2.84Å; R78-H529 PolarHBondContact NH1-NE2 3.43Å; R78-H529 VanDerWaalsContact NH1-NE2 3.15Å; R78-T530 WeakPolarHBondContact CA-O 3.25Å; R78-Y531 HydrophobicContact CB-CD1 4.06Å; R78-Y531 HydrophobicContact CB-CE1 4.09Å; R78-Y531 HydrophobicContact CG-CD1 3.98Å; R78-Y531 HydrophobicContact CG-CE1 3.62Å
79	Y	98	Very high	95.4	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.1	168.9	-67	-93.8	0	0	0	109.3	M88 E89 L90 H461 F465 H529 T530 L532	Y79-M88 HydrophobicContact CD1-CB 4.48Å; Y79-M88 WeakPolarHBondContact CD1-O 3.45Å; Y79-E89 CarbonylContact C-O 3.45Å; Y79-E89 WeakPolarHBondContact CA-O 3.41Å; Y79-L90 HydrophobicContact CD1-CB 4.13Å; Y79-L90 HydrophobicContact CD1-CD1 4.41Å; Y79-L90 HydrophobicContact CD2-CD1 4.26Å; Y79-L90 HydrophobicContact CE1-CB 3.88Å; Y79-L90 HydrophobicContact CE1-CD1 4.04Å; Y79-L90 HydrophobicContact CE1-CD2 4.48Å; Y79-L90 HydrophobicContact CE1-CG 4.34Å; Y79-L90 HydrophobicContact CE2-CD1 3.86Å; Y79-H461 PolarHBondContact O-CE1 2.77Å; Y79-F465 HydrophobicContact CD1-CE1 4.28Å; Y79-F465 HydrophobicContact CD1-CE2 4.41Å; Y79-F465 AromaticContact CD1-CZ 3.55Å; Y79-F465 HydrophobicContact CD1-CZ 3.55Å; Y79-F465 HydrophobicContact CD2-CD1 4.48Å; Y79-F465 AromaticContact CD2-CE1 3.62Å; Y79-F465 HydrophobicContact CD2-CE1 3.62Å; Y79-F465 AromaticContact CD2-CE2 4Å; Y79-F465 HydrophobicContact CD2-CE2 4Å; Y79-F465 AromaticContact CD2-CZ 3.33Å; Y79-F465 HydrophobicContact CD2-CZ 3.33Å; Y79-F465 HydrophobicContact CE1-CE1 4.08Å; Y79-F465 AromaticContact CE1-CZ 3.77Å; Y79-F465 HydrophobicContact CE1-CZ 3.77Å; Y79-F465 HydrophobicContact CE2-CD1 4.31Å; Y79-F465 AromaticContact CE2-CE1 3.4Å; Y79-F465 HydrophobicContact CE2-CE1 3.4Å; Y79-F465 AromaticContact CE2-CZ 3.58Å; Y79-F465 HydrophobicContact CE2-CZ 3.58Å; Y79-F465 HydrophobicContact CG-CE1 4.06Å; Y79-F465 AromaticContact CG-CE2 3.88Å; Y79-F465 HydrophobicContact CG-CE2 3.88Å; Y79-F465 AromaticContact CG-CZ 3.31Å; Y79-F465 HydrophobicContact CG-CZ 3.31Å; Y79-F465 AromaticContact CZ-CE1 3.63Å; Y79-F465 AromaticContact CZ-CZ 3.78Å; Y79-H529 VanDerWaalsContact O-CA 3.26Å; Y79-H529 WeakPolarHBondContact O-CA 3.49Å; Y79-T530 PolarHBondContact N-O 2.77Å; Y79-T530 PolarHBondContact O-N 3.23Å; Y79-L532 HydrophobicContact CE2-CD1 4.01Å
80	E	98.5	Very high	96.6	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.8	-175.3	169.7	176.1	-121.3	0	0	112.6	R78 T82 R86 M88 E89 H529	R78-E80 IonicContact CZ-OE1 2.84Å; R78-E80 IonicContact CZ-OE2 2.82Å; R78-E80 IonicContact NH1-OE1 2.84Å; R78-E80 PolarHBondContact NH1-OE1 2.86Å; R78-E80 IonicContact NH1-OE2 3.82Å; R78-E80 PolarHBondContact NH1-OE2 2.83Å; R78-E80 IonicContact NH2-OE1 3.69Å; R78-E80 IonicContact NH2-OE2 3.88Å; R78-E80 PolarHBondContact NH2-OE2 3.48Å; E80-T82 HydrophobicContact CG-CG2 3.81Å; E80-R86 VanDerWaalsContact CD-NH1 3.28Å; E80-R86 HydrophobicContact CG-CB 4.43Å; E80-R86 IonicContact OE1-NH1 2.78Å; E80-R86 PolarHBondContact OE1-NH1 3.05Å; E80-R86 WeakPolarHBondContact OE2-CD 3.4Å; E80-R86 IonicContact OE2-CZ 3.9Å; E80-R86 IonicContact OE2-NE 2.74Å; E80-R86 IonicContact OE2-NH1 3.55Å; E80-R86 PolarHBondContact OE2-NH1 2.96Å; E80-M88 CarbonylContact O-C 3.45Å; E80-M88 WeakPolarHBondContact O-CA 3.46Å; E80-M88 PolarHBondContact O-N 3.01Å; E80-E89 PolarHBondContact N-O 3.42Å; E80-E89 PolarHBondContact O-N 3.35Å; E80-H529 WeakPolarHBondContact CG-NE2 3.47Å; E80-H529 IonicContact OE1-CE1 2.75Å; E80-H529 IonicContact OE1-NE2 3.61Å; E80-H529 PolarHBondContact OE1-NE2 3.22Å; E80-H529 VanDerWaalsContact OE1-NE2 3.12Å
81	S	98.8	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.3	161.5	-55.5	0	0	0	0	110.5	R86 M88 H461 S527 I528	S81-R86 VanDerWaalsContact CA-O 3.27Å; S81-R86 WeakPolarHBondContact CA-O 3.41Å; S81-M88 PolarHBondContact OG-N 3.1Å; S81-H461 WeakPolarHBondContact CB-NE2 3.13Å; S81-H461 PolarHBondContact N-NE2 2.87Å; S81-H461 PolarHBondContact OG-NE2 2.84Å; S81-S527 WeakPolarHBondContact O-CA 3.32Å; S81-I528 PolarHBondContact N-O 2.9Å; S81-I528 PolarHBondContact O-N 2.86Å
82	T	98.8	Very high	97.4	Very high	6 Å²	6	46 Å²	46	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.3	179.7	66	0	0	0	0	112.2	E80 S84 G85 R86 R87 W396	E80-T82 HydrophobicContact CG-CG2 3.81Å; T82-S84 WeakPolarHBondContact CB-OG 3.37Å; T82-S84 PolarHBondContact O-N 2.99Å; T82-S84 PolarHBondContact OG1-OG 2.87Å; T82-G85 PolarHBondContact O-N 3.48Å; T82-G85 PolarHBondContact OG1-N 3.4Å; T82-R86 HydrophobicContact CG2-CB 4.1Å; T82-R86 HydrophobicContact CG2-CG 4.21Å; T82-R86 PolarHBondContact N-O 3.4Å; T82-R86 WeakPolarHBondContact OG1-CB 3.47Å; T82-R86 WeakPolarHBondContact OG1-CG 3.32Å; T82-R86 PolarHBondContact OG1-N 3.26Å; T82-R86 VanDerWaalsContact OG1-N 3.13Å; T82-R87 PolarHBondContact O-NH1 2.83Å; T82-W396 VanDerWaalsContact C-CZ3 3.46Å; T82-W396 WeakPolarHBondContact O-CZ3 3.5Å
83	R	98.7	Very high	97.5	Very high	96 Å²	96	43.2 Å²	43.2	36%	0.362	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33	169.3	-170.8	175.4	73.2	170.6	3.6	112.9	S51 S52 G85 W396 Y526	S51-R83 WeakPolarHBondContact O-CG 3.39Å; S52-R83 WeakPolarHBondContact CB-O 3.11Å; S52-R83 PolarHBondContact OG-O 3.44Å; R83-G85 PolarHBondContact O-N 3.27Å; R83-W396 HydrophobicContact CB-CB 4.44Å; R83-W396 HydrophobicContact CB-CD2 3.77Å; R83-W396 HydrophobicContact CB-CE3 4.4Å; R83-W396 HydrophobicContact CB-CG 3.74Å; R83-W396 HydrophobicContact CG-CB 3.87Å; R83-W396 HydrophobicContact CG-CD2 4.18Å; R83-W396 HydrophobicContact CG-CG 3.7Å; R83-Y526 HydrophobicContact CB-CG 4.49Å; R83-Y526 PolarHBondContact N-O 2.64Å
84	S	97.9	Very high	97.6	Very high	111 Å²	111	42.7 Å²	42.7	78%	0.776	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.7	178.3	53	0	0	0	0	114.9	T82	T82-S84 WeakPolarHBondContact CB-OG 3.37Å; T82-S84 PolarHBondContact O-N 2.99Å; T82-S84 PolarHBondContact OG1-OG 2.87Å
85	G	97.8	Very high	97.7	Very high	22 Å²	22	42.1 Å²	42.1	23%	0.227	23%	0.226	C	C	.	.	S	Bend	trans	130.5	-3.6	171	0	0	0	0	0	116.2	T82 R83 R87	T82-G85 PolarHBondContact O-N 3.48Å; T82-G85 PolarHBondContact OG1-N 3.4Å; R83-G85 PolarHBondContact O-N 3.27Å; G85-R87 WeakPolarHBondContact O-CG 3.43Å
86	R	98.1	Very high	97.7	Very high	104 Å²	104	43 Å²	43	39%	0.392	23%	0.227	S	C	.	.			trans	-64.9	142.8	172.9	-59.5	-168.6	167.2	142.4	8.4	110.3	E80 S81 T82 E89	E80-R86 VanDerWaalsContact CD-NH1 3.28Å; E80-R86 HydrophobicContact CG-CB 4.43Å; E80-R86 IonicContact OE1-NH1 2.78Å; E80-R86 PolarHBondContact OE1-NH1 3.05Å; E80-R86 WeakPolarHBondContact OE2-CD 3.4Å; E80-R86 IonicContact OE2-CZ 3.9Å; E80-R86 IonicContact OE2-NE 2.74Å; E80-R86 IonicContact OE2-NH1 3.55Å; E80-R86 PolarHBondContact OE2-NH1 2.96Å; S81-R86 VanDerWaalsContact CA-O 3.27Å; S81-R86 WeakPolarHBondContact CA-O 3.41Å; T82-R86 HydrophobicContact CG2-CB 4.1Å; T82-R86 HydrophobicContact CG2-CG 4.21Å; T82-R86 PolarHBondContact N-O 3.4Å; T82-R86 WeakPolarHBondContact OG1-CB 3.47Å; T82-R86 WeakPolarHBondContact OG1-CG 3.32Å; T82-R86 PolarHBondContact OG1-N 3.26Å; T82-R86 VanDerWaalsContact OG1-N 3.13Å; R86-E89 WeakPolarHBondContact CA-OE1 3.31Å; R86-E89 HydrophobicContact CB-CG 4.18Å; R86-E89 WeakPolarHBondContact CB-OE1 3.32Å; R86-E89 WeakPolarHBondContact CD-OE2 3.26Å; R86-E89 WeakPolarHBondContact CG-OE1 3.23Å; R86-E89 WeakPolarHBondContact CG-OE2 3.26Å; R86-E89 IonicContact NE-OE2 3.6Å; R86-E89 PolarHBondContact NE-OE2 3.46Å
87	R	98.4	Very high	97.6	Very high	13 Å²	13	46.3 Å²	46.3	5%	0.049	26%	0.257	C	S	.	.			trans	-139.7	91.4	-173.1	-67.4	-69.9	179.3	-90.3	6.8	110.5	C43 S52 V53 T82 G85 E89 Y457	C43-R87 HydrophobicContact CB-CB 4.17Å; C43-R87 HydrophobicContact CB-CG 3.97Å; S52-R87 PolarHBondContact OG-NH2 2.79Å; V53-R87 PolarHBondContact O-NH2 2.77Å; T82-R87 PolarHBondContact O-NH1 2.83Å; G85-R87 WeakPolarHBondContact O-CG 3.43Å; R87-E89 PolarHBondContact O-N 2.95Å; R87-Y457 HydrophobicContact CB-CD1 3.97Å; R87-Y457 HydrophobicContact CB-CE1 3.88Å; R87-Y457 HydrophobicContact CG-CD1 4.44Å; R87-Y457 HydrophobicContact CG-CE1 4.32Å
88	M	97.8	Very high	97.5	Very high	4 Å²	4	53 Å²	53	2%	0.02	29%	0.292	C	S	.	.	S	Bend	trans	47.7	44.3	-174.8	-62.3	166.4	70.3	0	0	111.8	F65 Y79 E80 S81 L90 I153 Y457 H461 K464 F465	F65-M88 HydrophobicContact CD1-CB 4.31Å; F65-M88 HydrophobicContact CE1-CB 3.59Å; F65-M88 HydrophobicContact CE1-CG 4.45Å; F65-M88 HydrophobicContact CE1-SD 4.28Å; F65-M88 HydrophobicContact CE2-CE 4.17Å; F65-M88 HydrophobicContact CE2-SD 3.93Å; F65-M88 HydrophobicContact CZ-CB 3.9Å; F65-M88 HydrophobicContact CZ-CE 4.23Å; F65-M88 HydrophobicContact CZ-CG 4.27Å; F65-M88 HydrophobicContact CZ-SD 3.59Å; F65-M88 VanDerWaalsContact CZ-SD 3.59Å; Y79-M88 HydrophobicContact CD1-CB 4.48Å; Y79-M88 WeakPolarHBondContact CD1-O 3.45Å; E80-M88 CarbonylContact O-C 3.45Å; E80-M88 WeakPolarHBondContact O-CA 3.46Å; E80-M88 PolarHBondContact O-N 3.01Å; S81-M88 PolarHBondContact OG-N 3.1Å; M88-L90 PolarHBondContact O-N 3.19Å; M88-I153 HydrophobicContact CE-CG2 4.32Å; M88-I153 HydrophobicContact SD-CG2 4.31Å; M88-Y457 HydrophobicContact CG-CD1 4.28Å; M88-Y457 HydrophobicContact SD-CD1 3.98Å; M88-H461 WeakPolarHBondContact CG-NE2 3.14Å; M88-K464 HydrophobicContact CE-CB 4.13Å; M88-K464 HydrophobicContact CE-CD 3.55Å; M88-K464 HydrophobicContact CE-CG 4.48Å; M88-F465 HydrophobicContact CE-CE2 3.62Å; M88-F465 HydrophobicContact CE-CZ 3.81Å
89	E	96.1	Very high	97.3	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.6	177.3	-75.9	177.2	-159.7	0	0	109.8	Y79 E80 R86 R87	Y79-E89 CarbonylContact C-O 3.45Å; Y79-E89 WeakPolarHBondContact CA-O 3.41Å; E80-E89 PolarHBondContact N-O 3.42Å; E80-E89 PolarHBondContact O-N 3.35Å; R86-E89 WeakPolarHBondContact CA-OE1 3.31Å; R86-E89 HydrophobicContact CB-CG 4.18Å; R86-E89 WeakPolarHBondContact CB-OE1 3.32Å; R86-E89 WeakPolarHBondContact CD-OE2 3.26Å; R86-E89 WeakPolarHBondContact CG-OE1 3.23Å; R86-E89 WeakPolarHBondContact CG-OE2 3.26Å; R86-E89 IonicContact NE-OE2 3.6Å; R86-E89 PolarHBondContact NE-OE2 3.46Å; R87-E89 PolarHBondContact O-N 2.95Å
90	L	96.1	Very high	96.9	Very high	78 Å²	78	59.8 Å²	59.8	41%	0.408	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134	178.3	175.6	60.6	0	0	0	110.9	Y79 M88	Y79-L90 HydrophobicContact CD1-CB 4.13Å; Y79-L90 HydrophobicContact CD1-CD1 4.41Å; Y79-L90 HydrophobicContact CD2-CD1 4.26Å; Y79-L90 HydrophobicContact CE1-CB 3.88Å; Y79-L90 HydrophobicContact CE1-CD1 4.04Å; Y79-L90 HydrophobicContact CE1-CD2 4.48Å; Y79-L90 HydrophobicContact CE1-CG 4.34Å; Y79-L90 HydrophobicContact CE2-CD1 3.86Å; M88-L90 PolarHBondContact O-N 3.19Å
91	S	95.6	Very high	96.3	Very high	38 Å²	38	62.1 Å²	62.1	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.7	169	50.9	0	0	0	0	109.3	R78	R78-S91 PolarHBondContact N-O 2.99Å; R78-S91 PolarHBondContact NE-OG 3.45Å; R78-S91 PolarHBondContact NH2-OG 2.94Å; R78-S91 PolarHBondContact O-N 2.95Å; R78-S91 PolarHBondContact O-OG 3.04Å; R78-S91 VanDerWaalsContact O-OG 3.07Å
92	M	96.7	Very high	95.8	Very high	111 Å²	111	68.8 Å²	68.8	55%	0.547	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.7	175.8	-66.5	-177.9	-176	0	0	111	P71 T75 F76	P71-M92 HydrophobicContact CB-SD 4.35Å; T75-M92 HydrophobicContact CG2-CB 4.03Å; T75-M92 HydrophobicContact CG2-SD 4.4Å; F76-M92 CarbonylContact O-C 3.44Å; F76-M92 VanDerWaalsContact O-CA 3.22Å; F76-M92 WeakPolarHBondContact O-CA 3.39Å
93	G	96.7	Very high	95.4	Very high	12 Å²	12	70.1 Å²	70.1	12%	0.124	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.1	174.5	0	0	0	0	0	112.2	T75 F76	T75-G93 CarbonylContact C-O 3.57Å; T75-G93 WeakPolarHBondContact CA-O 3.41Å; T75-G93 WeakPolarHBondContact CG2-O 3.46Å; F76-G93 WeakPolarHBondContact CD1-O 3.21Å; F76-G93 PolarHBondContact N-O 3.02Å; F76-G93 PolarHBondContact O-N 3.49Å
94	P	97.9	Very high	95.4	Very high	86 Å²	86	65.8 Å²	65.8	56%	0.558	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	151	176.6	27	-29.4	0	0	0	111.6	F76 Q96	F76-P94 WeakPolarHBondContact CE1-O 3.5Å; P94-Q96 PolarHBondContact O-NE2 3.06Å; P94-Q96 PolarHBondContact O-OE1 3.46Å
95	I	98.4	Very high	95.4	Very high	19 Å²	19	62.1 Å²	62.1	10%	0.097	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-94.3	120.2	169.7	-57.8	177.9	0	0	0	107.9	G74 F76 V516 F518 L519 W533	G74-I95 PolarHBondContact O-N 2.85Å; F76-I95 HydrophobicContact CB-CD1 4.48Å; F76-I95 HydrophobicContact CB-CG1 4.35Å; F76-I95 HydrophobicContact CD1-CG1 4.09Å; I95-V516 HydrophobicContact CD1-CB 4.47Å; I95-V516 HydrophobicContact CD1-CG2 4.05Å; I95-V516 HydrophobicContact CG2-CB 4.33Å; I95-V516 HydrophobicContact CG2-CG2 4.2Å; I95-V516 VanDerWaalsContact CG2-O 3.3Å; I95-V516 WeakPolarHBondContact CG2-O 3.44Å; I95-F518 CarbonylContact C-O 3.58Å; I95-F518 VanDerWaalsContact CA-O 3.29Å; I95-F518 WeakPolarHBondContact CA-O 3.34Å; I95-F518 WeakPolarHBondContact CG2-O 3.31Å; I95-L519 HydrophobicContact CD1-CD1 4.28Å; I95-L519 HydrophobicContact CG1-CD1 4.11Å; I95-L519 HydrophobicContact CG1-CG 4.17Å; I95-L519 HydrophobicContact CG2-CD1 4.21Å; I95-W533 HydrophobicContact CD1-CB 3.94Å; I95-W533 HydrophobicContact CD1-CG 4.16Å
96	Q	97.8	Very high	95.5	Very high	58 Å²	58	61.3 Å²	61.3	27%	0.271	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-83.3	139.4	-179	-64.1	68.9	43.8	0	0	110.8	P94 N98 G517 F518 E520	P94-Q96 PolarHBondContact O-NE2 3.06Å; P94-Q96 PolarHBondContact O-OE1 3.46Å; Q96-N98 VanDerWaalsContact C-N 3.32Å; Q96-N98 WeakPolarHBondContact CB-O 3.27Å; Q96-G517 CarbonylContact O-C 3.54Å; Q96-G517 WeakPolarHBondContact O-CA 3.43Å; Q96-F518 HydrophobicContact CB-CB 4.47Å; Q96-F518 PolarHBondContact N-O 3.14Å; Q96-F518 WeakPolarHBondContact O-CD2 3.42Å; Q96-F518 PolarHBondContact O-N 2.94Å; Q96-F518 PolarHBondContact OE1-O 2.9Å; Q96-E520 HydrophobicContact CG-CG 4.46Å
97	A	97	Very high	95.5	Very high	81 Å²	81	58 Å²	58	67%	0.669	35%	0.354	S	S	*	.	S	Bend	trans	-71	-27.5	173.9	0	0	0	0	0	113.2
98	N	95.2	Very high	95.5	Very high	139 Å²	139	57.5 Å²	57.5	74%	0.743	35%	0.352	S	S	*	.			trans	-127.6	148.3	-178.2	-65.7	-62.2	0	0	0	110.4	Q96	Q96-N98 VanDerWaalsContact C-N 3.32Å; Q96-N98 WeakPolarHBondContact CB-O 3.27Å
99	H	94	Very high	95.5	Very high	44 Å²	44	59.4 Å²	59.4	20%	0.204	36%	0.361	C	S	.	.			trans	-129.3	139.3	171.7	164.7	77.7	0	0	0	109.5	T510 F518 E520	H99-T510 PolarHBondContact CE1-OG1 2.83Å; H99-T510 PolarHBondContact ND1-OG1 3.31Å; H99-F518 HydrophobicContact CB-CB 4.11Å; H99-F518 HydrophobicContact CB-CD1 3.35Å; H99-F518 HydrophobicContact CB-CD2 3.79Å; H99-F518 HydrophobicContact CB-CE1 3.54Å; H99-F518 HydrophobicContact CB-CE2 3.98Å; H99-F518 HydrophobicContact CB-CG 3.48Å; H99-F518 VanDerWaalsContact CB-CG 3.48Å; H99-F518 HydrophobicContact CB-CZ 3.86Å; H99-E520 IonicContact CE1-OE1 3.73Å; H99-E520 IonicContact CG-OE1 3.66Å; H99-E520 IonicContact ND1-OE1 3.17Å; H99-E520 PolarHBondContact ND1-OE1 2.79Å; H99-E520 IonicContact ND1-OE2 3.6Å
100	T	89.3	Confident	95.6	Very high	140 Å²	140	56 Å²	56	86%	0.859	35%	0.347	S	S	*	.			trans	-137.1	113.3	171.8	51.4	0	0	0	0	108.9
101	G	86	Confident	95.7	Very high	53 Å²	53	58.1 Å²	58.1	55%	0.546	35%	0.354	S	S	.	.			trans	179.8	170.8	178.7	0	0	0	0	0	112.7
102	T	88	Confident	95.9	Very high	139 Å²	139	60.1 Å²	60.1	85%	0.853	36%	0.36	S	S	*	.	S	Bend	trans	-112.1	16.2	173.1	53.4	0	0	0	0	111.9
103	G	90.1	Very high	96	Very high	34 Å²	34	59.3 Å²	59.3	35%	0.351	35%	0.353	S	S	.	.	S	Bend	trans	-74.5	176.8	179	0	0	0	0	0	113.4	L105	G103-L105 PolarHBondContact O-N 2.85Å
104	L	98	Very high	96	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	117.1	174.4	175.3	61.8	0	0	0	110.1	L106 A477 Q479 N481 L483 V507 L509 T510	L104-L106 HydrophobicContact CD1-CD2 4.01Å; L104-L106 HydrophobicContact CD2-CD2 4.35Å; L104-L106 HydrophobicContact CG-CD2 4.1Å; L104-A477 HydrophobicContact CD1-CB 4.08Å; L104-Q479 HydrophobicContact CD1-CG 3.84Å; L104-N481 HydrophobicContact CD1-CB 4.06Å; L104-N481 HydrophobicContact CD2-CB 3.72Å; L104-L483 HydrophobicContact CD2-CD1 3.68Å; L104-L483 HydrophobicContact CD2-CG 4.35Å; L104-V507 HydrophobicContact CD2-CG1 4Å; L104-L509 HydrophobicContact CB-CB 4.28Å; L104-L509 HydrophobicContact CD2-CB 4.32Å; L104-L509 HydrophobicContact CG-CB 4.35Å; L104-L509 CarbonylContact O-C 3.6Å; L104-L509 VanDerWaalsContact O-CA 3.26Å; L104-L509 WeakPolarHBondContact O-CA 3.35Å; L104-T510 PolarHBondContact O-N 2.84Å
105	L	98.5	Very high	96.1	Very high	34 Å²	34	58.8 Å²	58.8	18%	0.178	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122	176.1	-179.9	69.8	0	0	0	109.4	G103 A477 S478 T510 K512 F518	G103-L105 PolarHBondContact O-N 2.85Å; L105-A477 CarbonylContact O-C 3.59Å; L105-A477 WeakPolarHBondContact O-CA 3.15Å; L105-S478 PolarHBondContact N-OG 3.01Å; L105-S478 PolarHBondContact O-N 3.46Å; L105-T510 CarbonylContact C-O 3.6Å; L105-T510 WeakPolarHBondContact CA-O 3.41Å; L105-T510 HydrophobicContact CD1-CG2 3.87Å; L105-K512 HydrophobicContact CD1-CB 3.98Å; L105-F518 HydrophobicContact CD1-CD1 4.15Å; L105-F518 HydrophobicContact CD1-CE1 4.25Å
106	L	98.7	Very high	96.1	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.7	172.3	-55.6	-174.5	0	0	0	108.9	L104 L475 V476 A477 A485 V499 L509 T510 I511 K512	L104-L106 HydrophobicContact CD1-CD2 4.01Å; L104-L106 HydrophobicContact CD2-CD2 4.35Å; L104-L106 HydrophobicContact CG-CD2 4.1Å; L106-L475 HydrophobicContact CB-CD1 3.96Å; L106-L475 HydrophobicContact CB-CG 4.25Å; L106-L475 HydrophobicContact CD1-CD2 4.36Å; L106-V476 CarbonylContact C-O 3.51Å; L106-V476 WeakPolarHBondContact CA-O 3.43Å; L106-A477 HydrophobicContact CD2-CB 3.69Å; L106-A485 HydrophobicContact CD1-CB 4.14Å; L106-V499 HydrophobicContact CD1-CG2 4.49Å; L106-L509 HydrophobicContact CD1-CD1 3.76Å; L106-L509 HydrophobicContact CG-CD1 4.34Å; L106-T510 PolarHBondContact N-O 2.91Å; L106-I511 HydrophobicContact CB-CG1 4.46Å; L106-I511 CarbonylContact O-C 3.45Å; L106-I511 WeakPolarHBondContact O-CA 3Å; L106-K512 PolarHBondContact O-N 2.63Å
107	T	98.7	Very high	96.1	Very high	35 Å²	35	61.3 Å²	61.3	22%	0.215	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120	-178.4	-61.9	0	0	0	0	111.3	L475 V476 K512	T107-L475 WeakPolarHBondContact O-CA 3.46Å; T107-V476 PolarHBondContact N-O 3.18Å; T107-V476 PolarHBondContact O-N 3.08Å; T107-K512 HydrophobicContact CG2-CD 4.08Å
108	L	98.7	Very high	96.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.9	172.6	-167.3	73.2	0	0	0	110.5	P110 V473 L475 A487 K512 D513 P514 W533	L108-P110 WeakPolarHBondContact O-CD 3.43Å; L108-V473 HydrophobicContact CD1-CG2 3.55Å; L108-V473 HydrophobicContact CG-CG2 4.28Å; L108-L475 HydrophobicContact CD1-CD1 4.35Å; L108-A487 HydrophobicContact CD1-CB 3.31Å; L108-K512 VanDerWaalsContact CB-O 3.28Å; L108-K512 WeakPolarHBondContact CB-O 3.21Å; L108-K512 PolarHBondContact N-O 2.9Å; L108-D513 HydrophobicContact CD2-CB 4.24Å; L108-P514 WeakPolarHBondContact O-CD 3.17Å; L108-W533 HydrophobicContact CD2-CZ2 4.08Å
109	Q	98.7	Very high	96.4	Very high	45 Å²	45	52 Å²	52	21%	0.21	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	76.1	174.6	-62.9	-158.5	-91.1	0	0	109	E111 Q112 G474	Q109-E111 VanDerWaalsContact C-OE2 3.22Å; Q109-E111 WeakPolarHBondContact CA-OE2 3.36Å; Q109-E111 WeakPolarHBondContact CB-OE1 3.23Å; Q109-E111 PolarHBondContact NE2-OE1 3.05Å; Q109-E111 PolarHBondContact O-N 3.04Å; Q109-E111 VanDerWaalsContact O-N 3.13Å; Q109-Q112 HydrophobicContact CB-CB 4.17Å; Q109-Q112 HydrophobicContact CB-CG 4.09Å; Q109-Q112 PolarHBondContact O-N 3.1Å; Q109-G474 PolarHBondContact N-O 2.81Å; Q109-G474 PolarHBondContact O-N 3.45Å
110	P	97.9	Very high	96.6	Very high	19 Å²	19	50 Å²	50	12%	0.123	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	-21	-174.7	27.8	-37.5	0	0	0	113.3	L108 K113 M489	L108-P110 WeakPolarHBondContact O-CD 3.43Å; P110-K113 WeakPolarHBondContact O-CD 3.39Å; P110-K113 WeakPolarHBondContact O-CE 3.39Å; P110-K113 PolarHBondContact O-NZ 2.93Å; P110-M489 HydrophobicContact CB-SD 3.75Å
111	E	98.2	Very high	97.1	Very high	121 Å²	121	43.3 Å²	43.3	57%	0.565	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	-27.9	174.8	73.3	-69.1	166.4	0	0	113.7	Q109 K113	Q109-E111 VanDerWaalsContact C-OE2 3.22Å; Q109-E111 WeakPolarHBondContact CA-OE2 3.36Å; Q109-E111 WeakPolarHBondContact CB-OE1 3.23Å; Q109-E111 PolarHBondContact NE2-OE1 3.05Å; Q109-E111 PolarHBondContact O-N 3.04Å; Q109-E111 VanDerWaalsContact O-N 3.13Å; E111-K113 PolarHBondContact O-N 3Å
112	Q	98.5	Very high	97.7	Very high	80 Å²	80	40.8 Å²	40.8	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	85.6	177.3	-68.9	-169.4	18.5	0	0	110.5	Q109 F114 V473 G474	Q109-Q112 HydrophobicContact CB-CB 4.17Å; Q109-Q112 HydrophobicContact CB-CG 4.09Å; Q109-Q112 PolarHBondContact O-N 3.1Å; Q112-F114 HydrophobicContact CB-CE2 4.16Å; Q112-F114 HydrophobicContact CB-CZ 4.34Å; Q112-F114 WeakPolarHBondContact O-CD2 3.29Å; Q112-F114 VanDerWaalsContact O-CE2 3.3Å; Q112-F114 WeakPolarHBondContact O-CE2 3.48Å; Q112-V473 CarbonylContact O-C 3.51Å; Q112-V473 VanDerWaalsContact O-CA 3.23Å; Q112-V473 WeakPolarHBondContact O-CA 3.44Å; Q112-G474 PolarHBondContact O-N 3.39Å; Q112-G474 VanDerWaalsContact O-N 3.15Å
113	K	98.5	Very high	98.2	Very high	95 Å²	95	34.1 Å²	34.1	41%	0.413	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.1	-179.6	-61.3	-48.1	-164	-168.7	0	112.6	P110 E111 V473 M489	P110-K113 WeakPolarHBondContact O-CD 3.39Å; P110-K113 WeakPolarHBondContact O-CE 3.39Å; P110-K113 PolarHBondContact O-NZ 2.93Å; E111-K113 PolarHBondContact O-N 3Å; K113-V473 HydrophobicContact CD-CG1 3.86Å; K113-M489 PolarHBondContact NZ-SD 2.85Å
114	F	98.7	Very high	98.6	Very high	66 Å²	66	32.5 Å²	32.5	29%	0.289	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-142.8	172.4	-54.4	-82.6	0	0	0	110.8	Q112 Q471 R472	Q112-F114 HydrophobicContact CB-CE2 4.16Å; Q112-F114 HydrophobicContact CB-CZ 4.34Å; Q112-F114 WeakPolarHBondContact O-CD2 3.29Å; Q112-F114 VanDerWaalsContact O-CE2 3.3Å; Q112-F114 WeakPolarHBondContact O-CE2 3.48Å; F114-Q471 WeakPolarHBondContact O-CG 3.33Å; F114-Q471 PolarHBondContact O-NE2 2.78Å; F114-R472 HydrophobicContact CB-CB 4.24Å; F114-R472 VanDerWaalsContact CE2-NH2 3.34Å; F114-R472 VanDerWaalsContact CG-CZ 3.45Å; F114-R472 PolarHBondContact N-O 2.75Å
115	Q	98.6	Very high	98.7	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.093	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	152.9	-176.7	82.7	-76.6	15.6	0	0	113.1	L410 V414 V415 R472	Q115-L410 PolarHBondContact NE2-O 2.87Å; Q115-V414 PolarHBondContact NE2-O 2.93Å; Q115-V415 HydrophobicContact CB-CG1 4.12Å; Q115-V415 HydrophobicContact CG-CG1 4.02Å; Q115-R472 PolarHBondContact O-N 2.9Å
116	K	98.8	Very high	98.7	Very high	127 Å²	127	30.6 Å²	30.6	55%	0.552	14%	0.143	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	147.5	163.9	-66.8	-165.6	176.8	73.7	0	110.1	V415 S470 Q471	K116-V415 WeakPolarHBondContact O-CB 3.35Å; K116-V415 WeakPolarHBondContact O-CG1 3.34Å; K116-S470 CarbonylContact C-O 3.46Å; K116-S470 WeakPolarHBondContact CA-O 3.43Å; K116-Q471 HydrophobicContact CG-CB 4.23Å; K116-Q471 HydrophobicContact CG-CG 4.15Å
117	V	98.9	Very high	98.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-88.8	129.1	179.2	175.1	0	0	0	0	109.9	F120 L410 V415 I466 G469 S470 L488	V117-F120 HydrophobicContact CG1-CE2 3.8Å; V117-F120 HydrophobicContact CG1-CZ 4.23Å; V117-L410 HydrophobicContact CG2-CD2 4.07Å; V117-V415 CarbonylContact C-O 3.58Å; V117-V415 VanDerWaalsContact CA-O 3.23Å; V117-V415 WeakPolarHBondContact CA-O 3.27Å; V117-V415 WeakPolarHBondContact CG1-O 3.31Å; V117-I466 HydrophobicContact CB-CG2 4.16Å; V117-I466 HydrophobicContact CG1-CG2 3.96Å; V117-I466 HydrophobicContact CG2-CG2 4.01Å; V117-G469 PolarHBondContact O-N 2.75Å; V117-S470 PolarHBondContact N-O 2.97Å; V117-L488 HydrophobicContact CG2-CD2 3.58Å
118	K	98.9	Very high	98.7	Very high	25 Å²	25	28.7 Å²	28.7	11%	0.109	13%	0.131	C	C	.	.			trans	-80.6	-44.3	169.9	176.3	56.7	-170	155.3	0	111.6	N156 I157 S212 W267 F376 V415 E468	K118-N156 PolarHBondContact O-ND2 3.14Å; K118-I157 HydrophobicContact CG-CD1 4.22Å; K118-S212 VanDerWaalsContact CE-OG 3.23Å; K118-S212 WeakPolarHBondContact CE-OG 3.38Å; K118-S212 PolarHBondContact NZ-OG 3Å; K118-W267 HydrophobicContact CD-CZ2 4.05Å; K118-W267 HydrophobicContact CG-CH2 3.79Å; K118-W267 HydrophobicContact CG-CZ2 3.71Å; K118-W267 HydrophobicContact CG-CZ3 4.29Å; K118-F376 HydrophobicContact CG-CE2 4.49Å; K118-V415 HydrophobicContact CB-CG2 4.03Å; K118-V415 PolarHBondContact N-O 2.81Å; K118-E468 WeakPolarHBondContact CD-OE1 3.28Å; K118-E468 IonicContact NZ-OE1 3.94Å; K118-E468 PolarHBondContact NZ-OE1 2.82Å; K118-E468 IonicContact NZ-OE2 3.69Å; K118-E468 PolarHBondContact NZ-OE2 3.37Å; K118-E468 WeakPolarHBondContact O-CB 3.43Å; K118-E468 WeakPolarHBondContact O-CG 3.25Å
119	G	98.8	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.9	-170.4	-179.7	0	0	0	0	0	117	N156 G416 W417	G119-N156 WeakPolarHBondContact CA-OD1 3.31Å; G119-G416 WeakPolarHBondContact O-CA 3.23Å; G119-W417 PolarHBondContact O-N 3.34Å
120	F	98.9	Very high	98.7	Very high	1 Å²	1	29 Å²	29	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.5	-177.7	-57.3	-88.3	0	0	0	110.3	V117 N156 I157 I406 W417 L459 F462 I466	V117-F120 HydrophobicContact CG1-CE2 3.8Å; V117-F120 HydrophobicContact CG1-CZ 4.23Å; F120-N156 PolarHBondContact N-OD1 3.23Å; F120-N156 PolarHBondContact O-N 3.39Å; F120-N156 PolarHBondContact O-OD1 2.92Å; F120-I157 PolarHBondContact O-N 2.94Å; F120-I157 VanDerWaalsContact O-N 3.1Å; F120-I406 HydrophobicContact CE1-CG2 3.85Å; F120-W417 WeakPolarHBondContact CA-O 3.47Å; F120-W417 HydrophobicContact CD1-CB 4.03Å; F120-W417 HydrophobicContact CE1-CB 4.14Å; F120-L459 HydrophobicContact CB-CD2 4.3Å; F120-F462 HydrophobicContact CD1-CB 4.35Å; F120-F462 HydrophobicContact CE1-CB 3.9Å; F120-F462 HydrophobicContact CE2-CB 4.38Å; F120-F462 HydrophobicContact CZ-CB 3.92Å; F120-I466 HydrophobicContact CE2-CB 3.85Å; F120-I466 HydrophobicContact CE2-CD1 4.48Å; F120-I466 HydrophobicContact CE2-CG2 3.97Å; F120-I466 HydrophobicContact CZ-CB 4.48Å; F120-I466 HydrophobicContact CZ-CD1 4.31Å; F120-I466 HydrophobicContact CZ-CG2 4.49Å
121	G	98.8	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-163.4	-172.5	0	0	0	0	0	114.8	I157 W417 D419	G121-I157 WeakPolarHBondContact CA-O 3.25Å; G121-W417 PolarHBondContact N-O 3.47Å; G121-D419 WeakPolarHBondContact O-CB 3.07Å; G121-D419 PolarHBondContact O-N 3.25Å
122	G	98.8	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	177.4	172	0	0	0	0	0	112.3	I157 I158 R159 D419	G122-I157 PolarHBondContact N-O 2.75Å; G122-I158 WeakPolarHBondContact O-CA 3.49Å; G122-R159 PolarHBondContact O-N 2.88Å; G122-D419 WeakPolarHBondContact CA-O 3.22Å
123	A	98.9	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.5	-178.5	0	0	0	0	0	113.6	T125 R159 D419 W420 L422	A123-T125 VanDerWaalsContact C-N 3.32Å; A123-T125 HydrophobicContact CB-CG2 4.01Å; A123-T125 PolarHBondContact O-N 2.85Å; A123-R159 CarbonylContact C-O 3.48Å; A123-R159 VanDerWaalsContact CA-O 3.29Å; A123-R159 WeakPolarHBondContact CA-O 3.47Å; A123-R159 HydrophobicContact CB-CB 4.08Å; A123-D419 PolarHBondContact N-O 3.37Å; A123-W420 WeakPolarHBondContact CA-O 3.48Å; A123-W420 HydrophobicContact CB-CE3 3.86Å; A123-W420 HydrophobicContact CB-CZ3 4.32Å; A123-W420 WeakPolarHBondContact CB-O 3.42Å; A123-W420 PolarHBondContact N-O 3.18Å; A123-L422 WeakPolarHBondContact O-CG 3.44Å; A123-L422 PolarHBondContact O-N 2.87Å; A123-L422 VanDerWaalsContact O-N 3.12Å
124	M	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.			trans	-89.1	69.7	169	-168.2	68.1	70.6	0	0	109.5	A129 I132 I158 R159 P161 K196 L199 I200 L422	M124-A129 HydrophobicContact SD-CB 4.33Å; M124-I132 HydrophobicContact SD-CD1 4.44Å; M124-I158 HydrophobicContact CB-CG2 3.68Å; M124-R159 PolarHBondContact N-O 3.32Å; M124-P161 WeakPolarHBondContact O-CD 3.41Å; M124-K196 HydrophobicContact CG-CB 4.38Å; M124-K196 HydrophobicContact CG-CG 4.27Å; M124-L199 HydrophobicContact CE-CB 3.85Å; M124-L199 HydrophobicContact SD-CB 4.01Å; M124-L199 HydrophobicContact SD-CD1 3.82Å; M124-I200 HydrophobicContact CB-CG1 4.45Å; M124-I200 HydrophobicContact CG-CD1 4.47Å; M124-I200 HydrophobicContact CG-CG1 4.17Å; M124-L422 HydrophobicContact CB-CD1 4.36Å; M124-L422 HydrophobicContact CE-CD1 3.69Å; M124-L422 HydrophobicContact SD-CD1 4.26Å
125	T	98.9	Very high	98.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.			trans	-71.6	164.4	172.5	60	0	0	0	0	111.5	A123 A127 A128 A129 P161 F167 N421	A123-T125 VanDerWaalsContact C-N 3.32Å; A123-T125 HydrophobicContact CB-CG2 4.01Å; A123-T125 PolarHBondContact O-N 2.85Å; T125-A127 PolarHBondContact O-N 2.83Å; T125-A128 PolarHBondContact O-N 2.86Å; T125-A128 WeakPolarHBondContact OG1-CB 3.42Å; T125-A128 PolarHBondContact OG1-N 3.47Å; T125-A128 VanDerWaalsContact OG1-N 3.07Å; T125-A129 WeakPolarHBondContact O-CB 3.47Å; T125-A129 PolarHBondContact O-N 2.99Å; T125-P161 HydrophobicContact CG2-CG 4.04Å; T125-F167 HydrophobicContact CG2-CB 4.14Å; T125-N421 WeakPolarHBondContact CB-OD1 3.19Å; T125-N421 VanDerWaalsContact CG2-OD1 3.24Å; T125-N421 WeakPolarHBondContact CG2-OD1 3.08Å; T125-N421 PolarHBondContact OG1-OD1 3.44Å
126	D	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.4	-41.9	173	-59.5	-12.7	0	0	0	110.1	A128 A129 L130 S168 Y172 K196	D126-A128 PolarHBondContact O-N 3.44Å; D126-A129 PolarHBondContact O-N 2.87Å; D126-L130 VanDerWaalsContact O-CB 3.29Å; D126-L130 WeakPolarHBondContact O-CB 3.32Å; D126-L130 WeakPolarHBondContact O-CD1 3.46Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 2.83Å; D126-S168 VanDerWaalsContact OD2-CB 3.22Å; D126-S168 WeakPolarHBondContact OD2-CB 3.46Å; D126-S168 PolarHBondContact OD2-OG 2.69Å; D126-Y172 PolarHBondContact OD1-OH 3.31Å; D126-Y172 WeakPolarHBondContact OD2-CE1 3.48Å; D126-Y172 PolarHBondContact OD2-OH 2.87Å; D126-K196 WeakPolarHBondContact OD1-CD 3.43Å
127	A	98.9	Very high	98.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-45.2	174.8	0	0	0	0	0	113.3	T125 N131 F167 L424 P430	T125-A127 PolarHBondContact O-N 2.83Å; A127-N131 WeakPolarHBondContact O-CB 3.38Å; A127-N131 PolarHBondContact O-N 3.03Å; A127-N131 PolarHBondContact O-ND2 3.18Å; A127-F167 HydrophobicContact CB-CB 3.89Å; A127-F167 HydrophobicContact CB-CD1 3.97Å; A127-F167 HydrophobicContact CB-CG 4.44Å; A127-F167 VanDerWaalsContact CB-O 3.3Å; A127-F167 WeakPolarHBondContact CB-O 3.23Å; A127-F167 PolarHBondContact N-O 3.05Å; A127-L424 HydrophobicContact CB-CD2 4.14Å; A127-P430 HydrophobicContact CB-CG 3.97Å; A127-P430 WeakPolarHBondContact CB-O 3.47Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-44.4	176.4	0	0	0	0	0	111.2	T125 D126 N131 I132 L422 A423	T125-A128 PolarHBondContact O-N 2.86Å; T125-A128 WeakPolarHBondContact OG1-CB 3.42Å; T125-A128 PolarHBondContact OG1-N 3.47Å; T125-A128 VanDerWaalsContact OG1-N 3.07Å; D126-A128 PolarHBondContact O-N 3.44Å; A128-N131 PolarHBondContact O-N 3.39Å; A128-I132 WeakPolarHBondContact O-CB 3.27Å; A128-I132 WeakPolarHBondContact O-CD1 3.27Å; A128-I132 WeakPolarHBondContact O-CG1 3.48Å; A128-I132 PolarHBondContact O-N 3.34Å; A128-L422 HydrophobicContact CB-CB 4.21Å; A128-A423 WeakPolarHBondContact CA-O 3.33Å
129	A	98.9	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-43.7	179.8	0	0	0	0	0	112.5	M124 T125 D126 I132 L133 L195 K196 L199	M124-A129 HydrophobicContact SD-CB 4.33Å; T125-A129 WeakPolarHBondContact O-CB 3.47Å; T125-A129 PolarHBondContact O-N 2.99Å; D126-A129 PolarHBondContact O-N 2.87Å; A129-I132 PolarHBondContact O-N 2.99Å; A129-L133 WeakPolarHBondContact O-CB 3.42Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 3.03Å; A129-L195 HydrophobicContact CB-CB 3.78Å; A129-K196 HydrophobicContact CB-CG 4.41Å; A129-L199 VanDerWaalsContact CA-CD1 3.49Å; A129-L199 HydrophobicContact CB-CD1 3.67Å
130	L	98.8	Very high	98.8	Very high	53 Å²	53	17.3 Å²	17.3	28%	0.277	11%	0.108	S	C	.	.	H	α-helix	trans	-60.9	-47.7	175	-74.2	167.2	0	0	0	112	D126 L133 A134 I169 L195 P430	D126-L130 VanDerWaalsContact O-CB 3.29Å; D126-L130 WeakPolarHBondContact O-CB 3.32Å; D126-L130 WeakPolarHBondContact O-CD1 3.46Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 2.83Å; L130-L133 PolarHBondContact O-N 2.92Å; L130-A134 WeakPolarHBondContact O-CB 3.4Å; L130-A134 PolarHBondContact O-N 2.84Å; L130-I169 HydrophobicContact CD1-CD1 4.01Å; L130-I169 HydrophobicContact CD1-CG1 4.14Å; L130-I169 HydrophobicContact CD1-CG2 3.86Å; L130-L195 HydrophobicContact CD2-CD1 3.72Å; L130-L195 HydrophobicContact CG-CD1 3.99Å; L130-P430 HydrophobicContact CD1-CG 4.19Å
131	N	98.9	Very high	98.8	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-44.5	178.4	-82.3	-63.8	0	0	0	112	A127 A128 A134 A423 N425 G429 P430 V443	A127-N131 WeakPolarHBondContact O-CB 3.38Å; A127-N131 PolarHBondContact O-N 3.03Å; A127-N131 PolarHBondContact O-ND2 3.18Å; A128-N131 PolarHBondContact O-N 3.39Å; N131-A134 PolarHBondContact O-N 3.06Å; N131-A423 HydrophobicContact CB-CB 4.35Å; N131-N425 PolarHBondContact ND2-N 3.26Å; N131-N425 WeakPolarHBondContact OD1-CB 3.16Å; N131-N425 PolarHBondContact OD1-N 3.13Å; N131-G429 PolarHBondContact ND2-O 2.97Å; N131-P430 VanDerWaalsContact ND2-CD 3.31Å; N131-P430 WeakPolarHBondContact ND2-CD 3.48Å; N131-V443 HydrophobicContact CB-CB 4.24Å; N131-V443 HydrophobicContact CB-CG2 4.2Å
132	I	98.9	Very high	98.8	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-52.5	177.2	-66.2	165.6	0	0	0	109.5	M124 A128 A129 A134 L135 Q140 L143 L144 L199 A423	M124-I132 HydrophobicContact SD-CD1 4.44Å; A128-I132 WeakPolarHBondContact O-CB 3.27Å; A128-I132 WeakPolarHBondContact O-CD1 3.27Å; A128-I132 WeakPolarHBondContact O-CG1 3.48Å; A128-I132 PolarHBondContact O-N 3.34Å; A129-I132 PolarHBondContact O-N 2.99Å; I132-A134 PolarHBondContact O-N 3.46Å; I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 3.1Å; I132-L135 VanDerWaalsContact O-N 3.08Å; I132-Q140 HydrophobicContact CG2-CB 4.44Å; I132-Q140 HydrophobicContact CG2-CG 4.33Å; I132-Q140 VanDerWaalsContact O-CG 3.25Å; I132-Q140 WeakPolarHBondContact O-CG 3.29Å; I132-L143 HydrophobicContact CD1-CD2 3.91Å; I132-L143 HydrophobicContact CG1-CD1 4.01Å; I132-L143 HydrophobicContact CG1-CD2 3.82Å; I132-L144 HydrophobicContact CD1-CD2 4.46Å; I132-L199 HydrophobicContact CB-CD1 4.19Å; I132-L199 HydrophobicContact CD1-CD1 4.39Å; I132-L199 HydrophobicContact CG2-CD1 4.25Å; I132-L199 HydrophobicContact CG2-CD2 3.76Å; I132-A423 HydrophobicContact CD1-CB 4.43Å; I132-A423 HydrophobicContact CG1-CB 3.99Å
133	L	98.7	Very high	98.8	Very high	53 Å²	53	22 Å²	22	28%	0.277	13%	0.133	S	C	.	.	H	α-helix	trans	-68.3	-15.7	-175.1	-70.3	165.5	0	0	0	114.5	A129 L130 L135 Q140 L195 L199	A129-L133 WeakPolarHBondContact O-CB 3.42Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 3.03Å; L130-L133 PolarHBondContact O-N 2.92Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-Q140 PolarHBondContact O-NE2 2.66Å; L133-L195 HydrophobicContact CD1-CB 3.92Å; L133-L195 HydrophobicContact CD1-CD2 3.64Å; L133-L195 HydrophobicContact CD1-CG 4.39Å; L133-L199 HydrophobicContact CD1-CD1 4.06Å; L133-L199 HydrophobicContact CD1-CG 4.26Å; L133-L199 HydrophobicContact CD2-CD2 3.98Å; L133-L199 HydrophobicContact CD2-CG 4.32Å; L133-L199 HydrophobicContact CG-CD1 4.03Å; L133-L199 HydrophobicContact CG-CD2 4.21Å; L133-L199 HydrophobicContact CG-CG 4.22Å
134	A	98.7	Very high	98.8	Very high	45 Å²	45	22 Å²	22	37%	0.372	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14	172.5	0	0	0	0	0	114.3	L130 N131 I132 I445	L130-A134 WeakPolarHBondContact O-CB 3.4Å; L130-A134 PolarHBondContact O-N 2.84Å; N131-A134 PolarHBondContact O-N 3.06Å; I132-A134 PolarHBondContact O-N 3.46Å; A134-I445 HydrophobicContact CB-CD1 3.59Å; A134-I445 HydrophobicContact CB-CG1 3.75Å; A134-I445 HydrophobicContact CB-CG2 4.02Å
135	L	98.8	Very high	98.8	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-76.3	161	168.3	-71.3	170.8	0	0	0	111.5	I132 L133 A139 Q140 L143 V443 D448 F450	I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 3.1Å; I132-L135 VanDerWaalsContact O-N 3.08Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L135-A139 HydrophobicContact CB-CB 3.96Å; L135-A139 HydrophobicContact CD1-CB 4.32Å; L135-A139 HydrophobicContact CD2-CB 4.24Å; L135-A139 HydrophobicContact CG-CB 4.42Å; L135-Q140 HydrophobicContact CB-CG 3.92Å; L135-Q140 PolarHBondContact O-NE2 2.96Å; L135-L143 HydrophobicContact CD1-CD1 3.77Å; L135-V443 HydrophobicContact CD1-CG1 4.05Å; L135-V443 HydrophobicContact CD1-CG2 4.24Å; L135-V443 HydrophobicContact CD2-CG1 3.79Å; L135-V443 HydrophobicContact CG-CG1 3.7Å; L135-D448 WeakPolarHBondContact CD2-OD1 3.3Å; L135-F450 HydrophobicContact CD1-CB 4.43Å; L135-F450 HydrophobicContact CD1-CD1 3.91Å; L135-F450 HydrophobicContact CD1-CG 4.5Å
136	S	98.8	Very high	98.8	Very high	33 Å²	33	26.7 Å²	26.7	23%	0.231	16%	0.155	C	C	.	.			trans	-64.2	151	169.6	72.7	0	0	0	0	111.6	P138 A139 Q140 D448	S136-P138 VanDerWaalsContact C-CD 3.46Å; S136-P138 VanDerWaalsContact C-N 3.32Å; S136-P138 VanDerWaalsContact O-N 3.16Å; S136-A139 PolarHBondContact O-N 3.33Å; S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.1Å; S136-D448 WeakPolarHBondContact CB-OD2 3.25Å; S136-D448 PolarHBondContact N-OD1 3.06Å; S136-D448 VanDerWaalsContact OG-CG 3.31Å; S136-D448 PolarHBondContact OG-OD1 3.31Å; S136-D448 PolarHBondContact OG-OD2 3.1Å
137	P	98.7	Very high	98.8	Very high	85 Å²	85	26.8 Å²	26.8	55%	0.552	16%	0.155	S	C	*	.	H	α-helix	trans	-53.4	-36.5	-177.8	-26.2	34	0	0	0	115.6	N141	P137-N141 VanDerWaalsContact O-CG 3.22Å; P137-N141 PolarHBondContact O-N 3.4Å; P137-N141 VanDerWaalsContact O-N 3.15Å; P137-N141 PolarHBondContact O-ND2 2.92Å
138	P	98.7	Very high	98.8	Very high	66 Å²	66	26.9 Å²	26.9	43%	0.429	16%	0.155	S	C	.	.	H	α-helix	trans	-63.8	-45.3	171.2	-23.8	35.8	0	0	0	113.6	A59 S136 N141 L142	A59-P138 HydrophobicContact CB-CB 4.18Å; A59-P138 VanDerWaalsContact O-CB 3.25Å; A59-P138 WeakPolarHBondContact O-CB 3.37Å; S136-P138 VanDerWaalsContact C-CD 3.46Å; S136-P138 VanDerWaalsContact C-N 3.32Å; S136-P138 VanDerWaalsContact O-N 3.16Å; P138-N141 PolarHBondContact O-N 3.24Å; P138-L142 PolarHBondContact O-N 3.34Å; P138-L142 VanDerWaalsContact O-N 3.09Å
139	A	98.8	Very high	98.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-41.4	178.2	0	0	0	0	0	111.6	A59 L135 S136 N141 L142 L143 F450	A59-A139 HydrophobicContact CB-CB 4.39Å; L135-A139 HydrophobicContact CB-CB 3.96Å; L135-A139 HydrophobicContact CD1-CB 4.32Å; L135-A139 HydrophobicContact CD2-CB 4.24Å; L135-A139 HydrophobicContact CG-CB 4.42Å; S136-A139 PolarHBondContact O-N 3.33Å; A139-N141 VanDerWaalsContact C-N 3.31Å; A139-N141 PolarHBondContact O-N 2.86Å; A139-L142 PolarHBondContact O-N 3.46Å; A139-L143 PolarHBondContact O-N 2.84Å; A139-F450 WeakPolarHBondContact O-CE1 3.28Å
140	Q	98.8	Very high	98.6	Very high	16 Å²	16	28 Å²	28	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-53.7	-46.8	171.3	-67.7	176.9	18.1	0	0	112.1	I132 L133 L135 S136 L142 L143 L144 R202	I132-Q140 HydrophobicContact CG2-CB 4.44Å; I132-Q140 HydrophobicContact CG2-CG 4.33Å; I132-Q140 VanDerWaalsContact O-CG 3.25Å; I132-Q140 WeakPolarHBondContact O-CG 3.29Å; L133-Q140 PolarHBondContact O-NE2 2.66Å; L135-Q140 HydrophobicContact CB-CG 3.92Å; L135-Q140 PolarHBondContact O-NE2 2.96Å; S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.1Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 3.05Å; Q140-L143 PolarHBondContact O-N 2.91Å; Q140-L144 WeakPolarHBondContact O-CG 3.47Å; Q140-L144 PolarHBondContact O-N 2.89Å; Q140-R202 VanDerWaalsContact CB-NH2 3.33Å; Q140-R202 VanDerWaalsContact OE1-CZ 3.3Å
141	N	98.7	Very high	98.5	Very high	69 Å²	69	29.1 Å²	29.1	37%	0.369	17%	0.165	S	C	.	.	H	α-helix	trans	-67.8	-34	-178.6	-71	-19.3	0	0	0	112	P137 P138 A139 K145 R202	P137-N141 VanDerWaalsContact O-CG 3.22Å; P137-N141 PolarHBondContact O-N 3.4Å; P137-N141 VanDerWaalsContact O-N 3.15Å; P137-N141 PolarHBondContact O-ND2 2.92Å; P138-N141 PolarHBondContact O-N 3.24Å; A139-N141 VanDerWaalsContact C-N 3.31Å; A139-N141 PolarHBondContact O-N 2.86Å; N141-K145 VanDerWaalsContact O-CB 3.29Å; N141-K145 WeakPolarHBondContact O-CB 3.16Å; N141-K145 VanDerWaalsContact O-CG 3.27Å; N141-K145 WeakPolarHBondContact O-CG 3.4Å; N141-K145 PolarHBondContact O-N 3.06Å; N141-R202 PolarHBondContact OD1-NH2 3.12Å
142	L	98.7	Very high	98.4	Very high	30 Å²	30	29.1 Å²	29.1	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-70.3	-34.8	174	-71.1	170	0	0	0	112.4	N58 C62 P138 A139 Q140 S146 F450	N58-L142 WeakPolarHBondContact O-CD1 3.4Å; C62-L142 HydrophobicContact CB-CB 4.03Å; C62-L142 HydrophobicContact CB-CD1 4.32Å; C62-L142 HydrophobicContact CB-CD2 4.22Å; C62-L142 HydrophobicContact CB-CG 4.42Å; P138-L142 PolarHBondContact O-N 3.34Å; P138-L142 VanDerWaalsContact O-N 3.09Å; A139-L142 PolarHBondContact O-N 3.46Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 3.05Å; L142-S146 WeakPolarHBondContact O-CB 3.49Å; L142-S146 PolarHBondContact O-N 3.48Å; L142-S146 PolarHBondContact O-OG 2.88Å; L142-F450 HydrophobicContact CB-CE1 4.27Å; L142-F450 HydrophobicContact CB-CZ 4.11Å
143	L	98.9	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-51.3	172.9	-171.4	162	0	0	0	110.8	I132 L135 A139 Q140 K145 S146 Y147 I441 V443 F450	I132-L143 HydrophobicContact CD1-CD2 3.91Å; I132-L143 HydrophobicContact CG1-CD1 4.01Å; I132-L143 HydrophobicContact CG1-CD2 3.82Å; L135-L143 HydrophobicContact CD1-CD1 3.77Å; A139-L143 PolarHBondContact O-N 2.84Å; Q140-L143 PolarHBondContact O-N 2.91Å; L143-K145 PolarHBondContact O-N 3.43Å; L143-S146 VanDerWaalsContact O-CB 3.32Å; L143-S146 WeakPolarHBondContact O-CB 3.32Å; L143-S146 PolarHBondContact O-N 3.35Å; L143-S146 VanDerWaalsContact O-N 3.13Å; L143-Y147 HydrophobicContact CD2-CD2 4.18Å; L143-Y147 HydrophobicContact CD2-CE2 4.2Å; L143-Y147 PolarHBondContact O-N 3.03Å; L143-I441 HydrophobicContact CD1-CG2 3.88Å; L143-I441 HydrophobicContact CD2-CD1 4.46Å; L143-I441 HydrophobicContact CG-CD1 4.09Å; L143-I441 HydrophobicContact CG-CG2 4.2Å; L143-V443 HydrophobicContact CD1-CG2 3.92Å; L143-F450 VanDerWaalsContact CA-CZ 3.49Å; L143-F450 HydrophobicContact CB-CD1 4.28Å; L143-F450 HydrophobicContact CB-CD2 4.42Å; L143-F450 HydrophobicContact CB-CE1 3.9Å; L143-F450 HydrophobicContact CB-CE2 4.03Å; L143-F450 HydrophobicContact CB-CZ 3.75Å; L143-F450 HydrophobicContact CD1-CB 4.4Å; L143-F450 HydrophobicContact CD1-CD1 4.42Å; L143-F450 HydrophobicContact CD1-CD2 4.35Å; L143-F450 HydrophobicContact CD1-CG 4.17Å; L143-F450 HydrophobicContact CG-CD2 4.3Å; L143-F450 HydrophobicContact CG-CE2 4.26Å; L143-F450 HydrophobicContact CG-CZ 4.47Å
144	L	98.8	Very high	98.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-41.3	178.6	-67.1	174.7	0	0	0	112	I132 Q140 S146 Y147 F148 L199 R202 L206	I132-L144 HydrophobicContact CD1-CD2 4.46Å; Q140-L144 WeakPolarHBondContact O-CG 3.47Å; Q140-L144 PolarHBondContact O-N 2.89Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 2.84Å; L144-Y147 PolarHBondContact O-N 3.19Å; L144-F148 HydrophobicContact CB-CD2 4.5Å; L144-F148 HydrophobicContact CD2-CD2 4.28Å; L144-F148 HydrophobicContact CD2-CE2 4.05Å; L144-F148 VanDerWaalsContact O-CD2 3.29Å; L144-F148 WeakPolarHBondContact O-CD2 3.27Å; L144-F148 PolarHBondContact O-N 3.23Å; L144-L199 HydrophobicContact CD1-CD2 4.11Å; L144-R202 HydrophobicContact CD1-CB 3.81Å; L144-L206 HydrophobicContact CB-CD1 3.57Å
145	K	98.5	Very high	98.4	Very high	93 Å²	93	24.4 Å²	24.4	40%	0.404	14%	0.135	S	C	.	.	H	α-helix	trans	-58.3	-42.4	172.6	-82.1	-175.7	173.7	-161.9	0	112.2	N141 L143 Y147 F148 S149 G152 L206	N141-K145 VanDerWaalsContact O-CB 3.29Å; N141-K145 WeakPolarHBondContact O-CB 3.16Å; N141-K145 VanDerWaalsContact O-CG 3.27Å; N141-K145 WeakPolarHBondContact O-CG 3.4Å; N141-K145 PolarHBondContact O-N 3.06Å; L143-K145 PolarHBondContact O-N 3.43Å; K145-Y147 PolarHBondContact O-N 3.26Å; K145-F148 PolarHBondContact O-N 2.96Å; K145-S149 PolarHBondContact O-N 2.96Å; K145-S149 VanDerWaalsContact O-N 3.12Å; K145-S149 PolarHBondContact O-OG 2.83Å; K145-G152 WeakPolarHBondContact O-CA 3.31Å; K145-L206 HydrophobicContact CD-CD2 4.48Å; K145-L206 HydrophobicContact CG-CD1 4.05Å; K145-L206 HydrophobicContact CG-CD2 3.81Å; K145-L206 HydrophobicContact CG-CG 4.46Å
146	S	98.8	Very high	98.4	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-54	-41.8	179.6	-64.8	0	0	0	0	111.8	L142 L143 L144 G152 I153 F456	L142-S146 WeakPolarHBondContact O-CB 3.49Å; L142-S146 PolarHBondContact O-N 3.48Å; L142-S146 PolarHBondContact O-OG 2.88Å; L143-S146 VanDerWaalsContact O-CB 3.32Å; L143-S146 WeakPolarHBondContact O-CB 3.32Å; L143-S146 PolarHBondContact O-N 3.35Å; L143-S146 VanDerWaalsContact O-N 3.13Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 2.84Å; S146-G152 CarbonylContact O-C 3.41Å; S146-G152 WeakPolarHBondContact O-CA 3.47Å; S146-I153 WeakPolarHBondContact O-CG1 3.46Å; S146-I153 PolarHBondContact O-N 3.17Å; S146-F456 VanDerWaalsContact O-CZ 3.27Å; S146-F456 WeakPolarHBondContact O-CZ 3.47Å
147	Y	98.9	Very high	98.4	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-79.7	-53.3	175	-73.7	-56.6	0	0	0	113.8	L143 L144 K145 I153 G154 Y155 L422 I441 F456	L143-Y147 HydrophobicContact CD2-CD2 4.18Å; L143-Y147 HydrophobicContact CD2-CE2 4.2Å; L143-Y147 PolarHBondContact O-N 3.03Å; L144-Y147 PolarHBondContact O-N 3.19Å; K145-Y147 PolarHBondContact O-N 3.26Å; Y147-I153 HydrophobicContact CD1-CD1 4.17Å; Y147-I153 HydrophobicContact CD1-CG1 4.43Å; Y147-I153 CarbonylContact O-C 3.46Å; Y147-G154 PolarHBondContact O-N 3.03Å; Y147-Y155 HydrophobicContact CD1-CD1 4.31Å; Y147-Y155 AromaticContact CD1-CD2 3.81Å; Y147-Y155 HydrophobicContact CD1-CD2 3.81Å; Y147-Y155 AromaticContact CD1-CE1 3.91Å; Y147-Y155 HydrophobicContact CD1-CE1 3.91Å; Y147-Y155 AromaticContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CG 4.27Å; Y147-Y155 AromaticContact CD1-CZ 3.43Å; Y147-Y155 VanDerWaalsContact CD1-CZ 3.43Å; Y147-Y155 HydrophobicContact CE1-CE1 4.44Å; Y147-Y155 AromaticContact CE1-CE2 3.76Å; Y147-Y155 HydrophobicContact CE1-CE2 3.76Å; Y147-Y155 AromaticContact CE1-CZ 3.66Å; Y147-Y155 WeakPolarHBondContact CE1-OH 3.28Å; Y147-Y155 HydrophobicContact CG-CD2 4.12Å; Y147-Y155 HydrophobicContact CG-CE2 4.06Å; Y147-Y155 WeakPolarHBondContact O-CB 3.32Å; Y147-Y155 PolarHBondContact O-N 2.63Å; Y147-L422 HydrophobicContact CD1-CD2 4.47Å; Y147-L422 HydrophobicContact CD2-CD2 4.03Å; Y147-L422 HydrophobicContact CE1-CD2 4.44Å; Y147-L422 HydrophobicContact CE2-CB 4.17Å; Y147-L422 HydrophobicContact CE2-CD2 3.95Å; Y147-L422 WeakPolarHBondContact CE2-O 3.31Å; Y147-L422 HydrophobicContact CG-CD2 4.28Å; Y147-L422 VanDerWaalsContact CZ-O 3.28Å; Y147-L422 PolarHBondContact OH-O 2.95Å; Y147-I441 HydrophobicContact CD2-CD1 4.19Å; Y147-I441 HydrophobicContact CE1-CD1 4.41Å; Y147-I441 HydrophobicContact CE2-CB 4.45Å; Y147-I441 HydrophobicContact CE2-CD1 3.56Å; Y147-I441 HydrophobicContact CE2-CG1 4.1Å; Y147-I441 WeakPolarHBondContact OH-CG1 3.4Å; Y147-I441 PolarHBondContact OH-N 2.81Å; Y147-F456 HydrophobicContact CD1-CD2 4.09Å; Y147-F456 AromaticContact CD1-CE2 3.78Å; Y147-F456 HydrophobicContact CD1-CE2 3.78Å; Y147-F456 AromaticContact CE1-CD2 3.61Å; Y147-F456 HydrophobicContact CE1-CD2 3.61Å; Y147-F456 AromaticContact CE1-CE2 3.79Å; Y147-F456 HydrophobicContact CE1-CE2 3.79Å; Y147-F456 HydrophobicContact CG-CE2 4.45Å
148	F	98.7	Very high	98.4	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-98.9	-23.7	-157.9	-62.1	-69.8	0	0	0	115.5	L144 K145 Y155 I158 A203 L206 A207 L422	L144-F148 HydrophobicContact CB-CD2 4.5Å; L144-F148 HydrophobicContact CD2-CD2 4.28Å; L144-F148 HydrophobicContact CD2-CE2 4.05Å; L144-F148 VanDerWaalsContact O-CD2 3.29Å; L144-F148 WeakPolarHBondContact O-CD2 3.27Å; L144-F148 PolarHBondContact O-N 3.23Å; K145-F148 PolarHBondContact O-N 2.96Å; F148-Y155 HydrophobicContact CE1-CD2 4.18Å; F148-Y155 HydrophobicContact CE1-CG 4.46Å; F148-I158 HydrophobicContact CE1-CD1 3.71Å; F148-I158 HydrophobicContact CE1-CG1 3.64Å; F148-I158 HydrophobicContact CZ-CD1 3.79Å; F148-I158 HydrophobicContact CZ-CG1 3.88Å; F148-A203 HydrophobicContact CD1-CB 4.1Å; F148-A203 HydrophobicContact CD2-CB 3.44Å; F148-A203 VanDerWaalsContact CD2-CB 3.44Å; F148-A203 HydrophobicContact CE1-CB 4.16Å; F148-A203 HydrophobicContact CE2-CB 3.51Å; F148-A203 HydrophobicContact CG-CB 3.77Å; F148-A203 HydrophobicContact CZ-CB 3.88Å; F148-L206 HydrophobicContact CB-CB 4.49Å; F148-A207 HydrophobicContact CB-CB 4.45Å; F148-A207 WeakPolarHBondContact O-CA 3.46Å; F148-L422 HydrophobicContact CZ-CD1 4.11Å; F148-L422 HydrophobicContact CZ-CD2 4.42Å
149	S	97.7	Very high	98.4	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.021	8%	0.077	C	C	.	.	S	Bend	trans	-88.4	164.4	-177.1	84.1	0	0	0	0	112.9	K145 E151 G152 G154 L206	K145-S149 PolarHBondContact O-N 2.96Å; K145-S149 VanDerWaalsContact O-N 3.12Å; K145-S149 PolarHBondContact O-OG 2.83Å; S149-E151 WeakPolarHBondContact CB-OE2 3.25Å; S149-E151 PolarHBondContact O-N 3.15Å; S149-E151 PolarHBondContact OG-OE2 3.37Å; S149-G152 CarbonylContact O-C 3.58Å; S149-G152 WeakPolarHBondContact O-CA 3.46Å; S149-G152 PolarHBondContact O-N 2.69Å; S149-G154 PolarHBondContact O-N 2.91Å; S149-L206 WeakPolarHBondContact CA-O 3.03Å; S149-L206 WeakPolarHBondContact CB-O 3.35Å
150	E	96.1	Very high	98.4	Very high	21 Å²	21	15.7 Å²	15.7	10%	0.098	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.4	176.6	-69.6	-57.2	144.2	0	0	112.7	Q208 R209 K464	E150-Q208 HydrophobicContact CG-CB 4.14Å; E150-Q208 HydrophobicContact CG-CG 4.13Å; E150-R209 WeakPolarHBondContact OE1-CG 3.19Å; E150-R209 IonicContact OE1-CZ 2.69Å; E150-R209 IonicContact OE1-NE 3.15Å; E150-R209 PolarHBondContact OE1-NE 2.91Å; E150-R209 IonicContact OE1-NH2 3.72Å; E150-R209 PolarHBondContact OE1-NH2 3.49Å; E150-R209 IonicContact OE2-CZ 3.78Å; E150-R209 IonicContact OE2-NE 3.37Å; E150-R209 IonicContact OE2-NH2 2.83Å; E150-R209 PolarHBondContact OE2-NH2 3.14Å; E150-K464 PolarHBondContact O-NZ 3.2Å
151	E	96.7	Very high	98.5	Very high	77 Å²	77	15 Å²	15	36%	0.36	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.8	169.6	-47.8	81.4	-178.4	0	0	112.2	F65 S149	F65-E151 PolarHBondContact N-O 3Å; F65-E151 VanDerWaalsContact O-CA 3.23Å; F65-E151 WeakPolarHBondContact O-CA 3.35Å; F65-E151 WeakPolarHBondContact O-CB 3.41Å; S149-E151 WeakPolarHBondContact CB-OE2 3.25Å; S149-E151 PolarHBondContact O-N 3.15Å; S149-E151 PolarHBondContact OG-OE2 3.37Å
152	G	98.2	Very high	98.5	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.031	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-141.2	168.6	0	0	0	0	0	112.2	F65 K145 S146 S149 K464	F65-G152 WeakPolarHBondContact CD2-O 3.24Å; K145-G152 WeakPolarHBondContact O-CA 3.31Å; S146-G152 CarbonylContact O-C 3.41Å; S146-G152 WeakPolarHBondContact O-CA 3.47Å; S149-G152 CarbonylContact O-C 3.58Å; S149-G152 WeakPolarHBondContact O-CA 3.46Å; S149-G152 PolarHBondContact O-N 2.69Å; G152-K464 WeakPolarHBondContact O-CD 3.45Å; G152-K464 PolarHBondContact O-NZ 3.36Å
153	I	98.5	Very high	98.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	13.3	-178.8	68.1	174	0	0	0	114.4	F65 M88 S146 Y147 Y155 F456 S463 K464	F65-I153 HydrophobicContact CE2-CG2 3.98Å; M88-I153 HydrophobicContact CE-CG2 4.32Å; M88-I153 HydrophobicContact SD-CG2 4.31Å; S146-I153 WeakPolarHBondContact O-CG1 3.46Å; S146-I153 PolarHBondContact O-N 3.17Å; Y147-I153 HydrophobicContact CD1-CD1 4.17Å; Y147-I153 HydrophobicContact CD1-CG1 4.43Å; Y147-I153 CarbonylContact O-C 3.46Å; I153-Y155 HydrophobicContact CD1-CD1 4.05Å; I153-Y155 HydrophobicContact CD1-CE1 3.4Å; I153-Y155 HydrophobicContact CG1-CD1 3.85Å; I153-Y155 HydrophobicContact CG1-CE1 3.75Å; I153-Y155 PolarHBondContact O-N 3.32Å; I153-F456 HydrophobicContact CB-CZ 4.35Å; I153-F456 HydrophobicContact CD1-CD1 4.44Å; I153-F456 HydrophobicContact CD1-CD2 3.86Å; I153-F456 HydrophobicContact CD1-CE1 4.17Å; I153-F456 HydrophobicContact CD1-CE2 3.57Å; I153-F456 HydrophobicContact CD1-CG 4.28Å; I153-F456 HydrophobicContact CD1-CZ 3.73Å; I153-F456 HydrophobicContact CG1-CE2 3.96Å; I153-F456 HydrophobicContact CG1-CZ 3.84Å; I153-F456 HydrophobicContact CG2-CE1 3.64Å; I153-F456 HydrophobicContact CG2-CZ 3.64Å; I153-S463 CarbonylContact O-C 3.5Å; I153-S463 VanDerWaalsContact O-CB 3.32Å; I153-S463 WeakPolarHBondContact O-CB 3.33Å; I153-S463 PolarHBondContact O-OG 2.84Å; I153-K464 HydrophobicContact CB-CB 4.4Å; I153-K464 WeakPolarHBondContact O-CA 3.4Å; I153-K464 PolarHBondContact O-N 3.25Å
154	G	98.1	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	5%	0.05	C	C	.	.			trans	58	42.8	165.4	0	0	0	0	0	116.3	Y147 S149 R209	Y147-G154 PolarHBondContact O-N 3.03Å; S149-G154 PolarHBondContact O-N 2.91Å; G154-R209 PolarHBondContact O-NH1 3.39Å; G154-R209 VanDerWaalsContact O-NH1 3.1Å
155	Y	98.8	Very high	98.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.			trans	-55.2	135.8	171.8	-86.1	22.5	0	0	0	111.3	Y147 F148 I153 L422 L459	Y147-Y155 HydrophobicContact CD1-CD1 4.31Å; Y147-Y155 AromaticContact CD1-CD2 3.81Å; Y147-Y155 HydrophobicContact CD1-CD2 3.81Å; Y147-Y155 AromaticContact CD1-CE1 3.91Å; Y147-Y155 HydrophobicContact CD1-CE1 3.91Å; Y147-Y155 AromaticContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CG 4.27Å; Y147-Y155 AromaticContact CD1-CZ 3.43Å; Y147-Y155 VanDerWaalsContact CD1-CZ 3.43Å; Y147-Y155 HydrophobicContact CE1-CE1 4.44Å; Y147-Y155 AromaticContact CE1-CE2 3.76Å; Y147-Y155 HydrophobicContact CE1-CE2 3.76Å; Y147-Y155 AromaticContact CE1-CZ 3.66Å; Y147-Y155 WeakPolarHBondContact CE1-OH 3.28Å; Y147-Y155 HydrophobicContact CG-CD2 4.12Å; Y147-Y155 HydrophobicContact CG-CE2 4.06Å; Y147-Y155 WeakPolarHBondContact O-CB 3.32Å; Y147-Y155 PolarHBondContact O-N 2.63Å; F148-Y155 HydrophobicContact CE1-CD2 4.18Å; F148-Y155 HydrophobicContact CE1-CG 4.46Å; I153-Y155 HydrophobicContact CD1-CD1 4.05Å; I153-Y155 HydrophobicContact CD1-CE1 3.4Å; I153-Y155 HydrophobicContact CG1-CD1 3.85Å; I153-Y155 HydrophobicContact CG1-CE1 3.75Å; I153-Y155 PolarHBondContact O-N 3.32Å; Y155-L422 HydrophobicContact CD2-CD2 4.02Å; Y155-L422 HydrophobicContact CE2-CD2 3.68Å; Y155-L459 HydrophobicContact CE1-CD2 3.57Å; Y155-L459 VanDerWaalsContact OH-CD1 3.29Å; Y155-L459 WeakPolarHBondContact OH-CD1 3.06Å
156	N	98.9	Very high	98.4	Very high	7 Å²	7	6.2 Å²	6.2	4%	0.037	3%	0.032	C	C	.	.			trans	-127.2	12.2	176.8	79.9	-51.5	0	0	0	113.1	K118 G119 F120 R209 V211 S212 E468	K118-N156 PolarHBondContact O-ND2 3.14Å; G119-N156 WeakPolarHBondContact CA-OD1 3.31Å; F120-N156 PolarHBondContact N-OD1 3.23Å; F120-N156 PolarHBondContact O-N 3.39Å; F120-N156 PolarHBondContact O-OD1 2.92Å; N156-R209 HydrophobicContact CB-CB 4.33Å; N156-V211 CarbonylContact O-C 3.04Å; N156-V211 WeakPolarHBondContact O-CA 3.22Å; N156-S212 PolarHBondContact O-N 2.95Å; N156-E468 PolarHBondContact ND2-OE2 3.31Å
157	I	98.9	Very high	98.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.8	173.7	-56.7	-175.3	0	0	0	110.2	K118 F120 G121 G122 S212 F376 T418	K118-I157 HydrophobicContact CG-CD1 4.22Å; F120-I157 PolarHBondContact O-N 2.94Å; F120-I157 VanDerWaalsContact O-N 3.1Å; G121-I157 WeakPolarHBondContact CA-O 3.25Å; G122-I157 PolarHBondContact N-O 2.75Å; I157-S212 WeakPolarHBondContact CA-O 3.36Å; I157-F376 HydrophobicContact CD1-CE2 3.54Å; I157-F376 HydrophobicContact CD1-CZ 3.55Å; I157-F376 HydrophobicContact CG2-CZ 4.35Å; I157-T418 HydrophobicContact CG2-CG2 4.29Å
158	I	98.9	Very high	98.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.7	167.2	-57.8	173.2	0	0	0	108.6	G122 M124 F148 V160 I200 A203 L204 V211 S212 L213 L214	G122-I158 WeakPolarHBondContact O-CA 3.49Å; M124-I158 HydrophobicContact CB-CG2 3.68Å; F148-I158 HydrophobicContact CE1-CD1 3.71Å; F148-I158 HydrophobicContact CE1-CG1 3.64Å; F148-I158 HydrophobicContact CZ-CD1 3.79Å; F148-I158 HydrophobicContact CZ-CG1 3.88Å; I158-V160 HydrophobicContact CG2-CG2 4.11Å; I158-I200 HydrophobicContact CD1-CG2 4.45Å; I158-I200 HydrophobicContact CG2-CG1 4.45Å; I158-A203 HydrophobicContact CD1-CB 3.89Å; I158-L204 HydrophobicContact CD1-CD1 4.2Å; I158-V211 HydrophobicContact CD1-CG1 3.91Å; I158-V211 HydrophobicContact CG1-CG1 3.86Å; I158-S212 PolarHBondContact N-O 3.31Å; I158-S212 VanDerWaalsContact N-O 3.09Å; I158-L213 HydrophobicContact CB-CD2 3.87Å; I158-L213 HydrophobicContact CD1-CD2 4.26Å; I158-L213 HydrophobicContact CG1-CD2 4.44Å; I158-L213 WeakPolarHBondContact O-CA 3.31Å; I158-L214 PolarHBondContact O-N 2.99Å
159	R	98.9	Very high	98.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135.7	168.9	-167.9	172.6	-172.7	-97.1	19.3	109.5	G122 A123 M124 L214 S216 N273 D321 S378 T418 W420	G122-R159 PolarHBondContact O-N 2.88Å; A123-R159 CarbonylContact C-O 3.48Å; A123-R159 VanDerWaalsContact CA-O 3.29Å; A123-R159 WeakPolarHBondContact CA-O 3.47Å; A123-R159 HydrophobicContact CB-CB 4.08Å; M124-R159 PolarHBondContact N-O 3.32Å; R159-L214 CarbonylContact C-O 3.59Å; R159-L214 VanDerWaalsContact CA-O 3.28Å; R159-L214 WeakPolarHBondContact CA-O 3.4Å; R159-L214 HydrophobicContact CG-CD2 4.17Å; R159-L214 HydrophobicContact CG-CG 4.25Å; R159-S216 PolarHBondContact NE-OG 3.05Å; R159-S216 VanDerWaalsContact NE-OG 3.11Å; R159-S216 VanDerWaalsContact NH2-CB 3.29Å; R159-S216 PolarHBondContact NH2-OG 2.75Å; R159-S216 VanDerWaalsContact NH2-OG 3.16Å; R159-N273 PolarHBondContact NH1-OD1 3.46Å; R159-N273 VanDerWaalsContact NH1-OD1 3.08Å; R159-N273 PolarHBondContact NH2-OD1 3.33Å; R159-D321 IonicContact CZ-OD2 2.67Å; R159-D321 IonicContact NH2-OD1 3.26Å; R159-D321 IonicContact NH2-OD2 2.78Å; R159-D321 PolarHBondContact NH2-OD2 3.22Å; R159-S378 VanDerWaalsContact CD-O 3.23Å; R159-S378 WeakPolarHBondContact CD-O 3.07Å; R159-T418 HydrophobicContact CB-CG2 4.18Å; R159-W420 VanDerWaalsContact NH1-CH2 3.27Å
160	V	98.9	Very high	98.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.5	-173.8	-174.4	0	0	0	0	108.8	I158 M162 I200 L214 A215 S216 Y259 F266	I158-V160 HydrophobicContact CG2-CG2 4.11Å; V160-M162 PolarHBondContact O-N 3.41Å; V160-I200 HydrophobicContact CG1-CD1 4.35Å; V160-I200 HydrophobicContact CG2-CD1 3.79Å; V160-L214 PolarHBondContact N-O 3.38Å; V160-A215 WeakPolarHBondContact O-CA 3.21Å; V160-S216 PolarHBondContact O-N 3.09Å; V160-Y259 HydrophobicContact CG1-CE1 4.05Å; V160-F266 HydrophobicContact CB-CE1 4.07Å; V160-F266 HydrophobicContact CB-CZ 4.26Å; V160-F266 HydrophobicContact CG1-CZ 4.48Å; V160-F266 HydrophobicContact CG2-CE1 4.08Å; V160-F266 HydrophobicContact CG2-CZ 4.35Å
161	P	98.9	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.9	171.9	-20.6	31.6	0	0	0	111.8	M124 T125 A163 K196 W218	M124-P161 WeakPolarHBondContact O-CD 3.41Å; T125-P161 HydrophobicContact CG2-CG 4.04Å; P161-A163 WeakPolarHBondContact CB-O 3.27Å; P161-A163 PolarHBondContact O-N 2.72Å; P161-K196 PolarHBondContact O-NZ 2.95Å; P161-W218 HydrophobicContact CB-CE3 4.18Å; P161-W218 HydrophobicContact CB-CH2 3.72Å; P161-W218 HydrophobicContact CB-CZ3 3.53Å; P161-W218 HydrophobicContact CG-CH2 3.61Å; P161-W218 HydrophobicContact CG-CZ2 4.47Å; P161-W218 HydrophobicContact CG-CZ3 3.92Å
162	M	98.9	Very high	98.7	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	98.6	166.6	-65.5	169.4	57.3	0	0	107.6	V160 Y174 A215 S216 P217 Y251 F252 F255	V160-M162 PolarHBondContact O-N 3.41Å; M162-Y174 HydrophobicContact CB-CE2 4.17Å; M162-A215 HydrophobicContact CG-CB 3.9Å; M162-A215 HydrophobicContact SD-CB 3.97Å; M162-S216 PolarHBondContact N-O 2.96Å; M162-P217 HydrophobicContact CB-CB 4.01Å; M162-P217 HydrophobicContact CE-CB 4.3Å; M162-P217 HydrophobicContact CE-CG 4.46Å; M162-P217 HydrophobicContact SD-CB 4.19Å; M162-P217 HydrophobicContact SD-CG 4.19Å; M162-Y251 HydrophobicContact CE-CD1 4.13Å; M162-Y251 HydrophobicContact CE-CE1 4.16Å; M162-F252 HydrophobicContact CE-CB 4.49Å; M162-F252 HydrophobicContact CE-CD1 3.69Å; M162-F252 HydrophobicContact CE-CD2 4.4Å; M162-F252 HydrophobicContact CE-CE1 4Å; M162-F252 HydrophobicContact CE-CG 3.93Å; M162-F252 HydrophobicContact CE-CZ 4.49Å; M162-F252 HydrophobicContact SD-CD1 4.01Å; M162-F252 HydrophobicContact SD-CE1 4Å; M162-F255 HydrophobicContact CB-CE2 4.44Å; M162-F255 HydrophobicContact CE-CB 4.11Å; M162-F255 HydrophobicContact CE-CD1 4.02Å; M162-F255 HydrophobicContact CE-CG 4.06Å; M162-F255 HydrophobicContact CG-CD1 3.88Å; M162-F255 HydrophobicContact CG-CD2 4.02Å; M162-F255 HydrophobicContact CG-CE1 3.72Å; M162-F255 HydrophobicContact CG-CE2 3.8Å; M162-F255 HydrophobicContact CG-CG 4.02Å; M162-F255 HydrophobicContact CG-CZ 3.64Å; M162-F255 HydrophobicContact SD-CD1 4.01Å; M162-F255 HydrophobicContact SD-CE1 4.14Å; M162-F255 HydrophobicContact SD-CG 4.46Å
163	A	98.8	Very high	98.7	Very high	2 Å²	2	13.8 Å²	13.8	2%	0.017	7%	0.068	C	C	.	.	S	Bend	trans	63.6	-144.8	-168.8	0	0	0	0	0	113.6	P161 Y172 Y174	P161-A163 WeakPolarHBondContact CB-O 3.27Å; P161-A163 PolarHBondContact O-N 2.72Å; A163-Y172 HydrophobicContact CB-CD2 3.84Å; A163-Y172 HydrophobicContact CB-CE2 3.69Å; A163-Y172 WeakPolarHBondContact CB-O 3.17Å; A163-Y174 HydrophobicContact CB-CD1 3.98Å; A163-Y174 HydrophobicContact CB-CD2 4.3Å; A163-Y174 HydrophobicContact CB-CE1 3.78Å; A163-Y174 HydrophobicContact CB-CE2 4.09Å; A163-Y174 HydrophobicContact CB-CG 4.25Å; A163-Y174 PolarHBondContact N-OH 3.2Å
164	S	98.8	Very high	98.7	Very high	2 Å²	2	14 Å²	14	1%	0.014	7%	0.069	C	C	.	.			trans	-80.5	150.8	-169.3	67.7	0	0	0	0	115.3	S168 Y172 Q286	S164-S168 WeakPolarHBondContact CA-OG 3.39Å; S164-Y172 WeakPolarHBondContact CB-O 3.31Å; S164-Y172 PolarHBondContact N-O 3.49Å; S164-Y172 PolarHBondContact OG-N 3.27Å; S164-Y172 PolarHBondContact OG-O 3.22Å; S164-Q286 VanDerWaalsContact CB-NE2 3.28Å; S164-Q286 PolarHBondContact OG-NE2 3.36Å
165	C	98.8	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.			trans	-130.1	-172	172.6	58.5	0	0	0	0	110.7	F167 S168 W218 Q286 W432	C165-F167 VanDerWaalsContact C-N 3.29Å; C165-S168 PolarHBondContact N-OG 3.49Å; C165-S168 VanDerWaalsContact O-CB 3.28Å; C165-S168 WeakPolarHBondContact O-CB 3.47Å; C165-S168 PolarHBondContact O-N 2.78Å; C165-S168 PolarHBondContact O-OG 3.15Å; C165-W218 HydrophobicContact CB-CD2 3.69Å; C165-W218 HydrophobicContact CB-CE3 4.35Å; C165-W218 HydrophobicContact CB-CG 4.01Å; C165-W218 HydrophobicContact CB-CH2 4.09Å; C165-W218 HydrophobicContact CB-CZ2 3.32Å; C165-Q286 VanDerWaalsContact C-NE2 3.32Å; C165-Q286 VanDerWaalsContact C-OE1 3.3Å; C165-Q286 PolarHBondContact O-NE2 2.99Å; C165-Q286 PolarHBondContact O-OE1 2.84Å; C165-W432 PolarHBondContact O-NE1 3.24Å
166	D	98.2	Very high	98.8	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-36.4	170.5	67.9	-41.9	0	0	0	111.7	S168 F285 N431 W432 V433 N435	D166-S168 PolarHBondContact O-N 2.78Å; D166-F285 HydrophobicContact CB-CB 3.78Å; D166-F285 HydrophobicContact CB-CD1 3.89Å; D166-F285 HydrophobicContact CB-CD2 3.74Å; D166-F285 HydrophobicContact CB-CE1 4.35Å; D166-F285 HydrophobicContact CB-CE2 4.21Å; D166-F285 HydrophobicContact CB-CG 3.56Å; D166-F285 HydrophobicContact CB-CZ 4.48Å; D166-N431 VanDerWaalsContact C-ND2 3.3Å; D166-N431 VanDerWaalsContact CG-ND2 3.34Å; D166-N431 CarbonylContact O-C 3.19Å; D166-N431 VanDerWaalsContact O-CA 3.23Å; D166-N431 WeakPolarHBondContact O-CA 3.39Å; D166-N431 PolarHBondContact O-ND2 3.15Å; D166-N431 PolarHBondContact O-OD1 2.93Å; D166-N431 PolarHBondContact OD2-ND2 2.7Å; D166-W432 PolarHBondContact O-N 2.63Å; D166-W432 VanDerWaalsContact O-N 3.09Å; D166-V433 HydrophobicContact CB-CG2 4Å; D166-N435 PolarHBondContact OD2-ND2 2.85Å
167	F	98.7	Very high	98.8	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	35.4	167.8	-71.8	-81	0	0	0	114.1	T125 A127 C165 W420 N421 L424 P430 N431 N435 V437	T125-F167 HydrophobicContact CG2-CB 4.14Å; A127-F167 HydrophobicContact CB-CB 3.89Å; A127-F167 HydrophobicContact CB-CD1 3.97Å; A127-F167 HydrophobicContact CB-CG 4.44Å; A127-F167 VanDerWaalsContact CB-O 3.3Å; A127-F167 WeakPolarHBondContact CB-O 3.23Å; A127-F167 PolarHBondContact N-O 3.05Å; C165-F167 VanDerWaalsContact C-N 3.29Å; F167-W420 AromaticContact CD2-NE1 3.29Å; F167-W420 VanDerWaalsContact CD2-NE1 3.29Å; F167-W420 AromaticContact CE2-CD1 3.87Å; F167-W420 AromaticContact CE2-NE1 3.33Å; F167-W420 VanDerWaalsContact CE2-NE1 3.33Å; F167-N421 WeakPolarHBondContact CB-OD1 3.33Å; F167-N421 WeakPolarHBondContact CD1-ND2 3.29Å; F167-N421 WeakPolarHBondContact CD1-OD1 3.23Å; F167-N421 WeakPolarHBondContact CD2-ND2 3.43Å; F167-N421 VanDerWaalsContact CE1-ND2 3.27Å; F167-N421 WeakPolarHBondContact CE1-ND2 3.44Å; F167-N421 WeakPolarHBondContact CE2-ND2 3.37Å; F167-N421 VanDerWaalsContact CG-ND2 3.35Å; F167-N421 WeakPolarHBondContact CG-ND2 3.42Å; F167-N421 VanDerWaalsContact CG-OD1 3.28Å; F167-N421 WeakPolarHBondContact CG-OD1 3.48Å; F167-N421 WeakPolarHBondContact CZ-ND2 3.49Å; F167-L424 HydrophobicContact CD1-CD2 3.76Å; F167-L424 HydrophobicContact CE1-CD1 4.12Å; F167-L424 HydrophobicContact CE1-CD2 3.76Å; F167-P430 WeakPolarHBondContact CD1-O 3.43Å; F167-N431 HydrophobicContact CD1-CB 4.08Å; F167-N431 WeakPolarHBondContact CD2-ND2 3.34Å; F167-N431 HydrophobicContact CE1-CB 4.01Å; F167-N431 VanDerWaalsContact CE2-ND2 3.31Å; F167-N431 WeakPolarHBondContact CE2-ND2 3.26Å; F167-N431 HydrophobicContact CZ-CB 4.5Å; F167-N431 VanDerWaalsContact CZ-ND2 3.34Å; F167-N431 WeakPolarHBondContact CZ-ND2 3.22Å; F167-N435 WeakPolarHBondContact CZ-O 3.02Å; F167-V437 HydrophobicContact CE1-CG2 4.18Å; F167-V437 HydrophobicContact CE2-CG2 4.24Å; F167-V437 HydrophobicContact CZ-CB 4.39Å; F167-V437 HydrophobicContact CZ-CG1 4.21Å; F167-V437 HydrophobicContact CZ-CG2 3.53Å
168	S	98.8	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-113.6	159.8	163.3	-61.5	0	0	0	0	110.3	D126 S164 C165 D166 R170 W432	D126-S168 VanDerWaalsContact OD2-CB 3.22Å; D126-S168 WeakPolarHBondContact OD2-CB 3.46Å; D126-S168 PolarHBondContact OD2-OG 2.69Å; S164-S168 WeakPolarHBondContact CA-OG 3.39Å; C165-S168 PolarHBondContact N-OG 3.49Å; C165-S168 VanDerWaalsContact O-CB 3.28Å; C165-S168 WeakPolarHBondContact O-CB 3.47Å; C165-S168 PolarHBondContact O-N 2.78Å; C165-S168 PolarHBondContact O-OG 3.15Å; D166-S168 PolarHBondContact O-N 2.78Å; S168-R170 WeakPolarHBondContact CB-O 3.3Å; S168-W432 WeakPolarHBondContact O-CB 3.49Å; S168-W432 PolarHBondContact O-N 2.79Å; S168-W432 VanDerWaalsContact O-N 3.14Å
169	I	98.3	Very high	98.7	Very high	97 Å²	97	29.3 Å²	29.3	50%	0.497	16%	0.158	S	C	.	.	S	Bend	trans	-92.3	-14.8	174.5	57.6	168.8	0	0	0	113.6	L130 P430	L130-I169 HydrophobicContact CD1-CD1 4.01Å; L130-I169 HydrophobicContact CD1-CG1 4.14Å; L130-I169 HydrophobicContact CD1-CG2 3.86Å; I169-P430 HydrophobicContact CG2-CB 3.67Å; I169-P430 HydrophobicContact CG2-CG 3.79Å
170	R	98.5	Very high	98.7	Very high	100 Å²	100	30 Å²	30	38%	0.377	16%	0.162	S	C	.	.	S	Bend	trans	-141.6	152.4	174.9	63.3	172.8	-167.6	98.7	9.8	109.4	S168 Y172 E191	S168-R170 WeakPolarHBondContact CB-O 3.3Å; R170-Y172 HydrophobicContact CG-CD1 3.96Å; R170-Y172 HydrophobicContact CG-CE1 4.43Å; R170-Y172 VanDerWaalsContact NH1-CB 3.3Å; R170-E191 IonicContact CZ-OE1 3.46Å; R170-E191 IonicContact CZ-OE2 2.72Å; R170-E191 IonicContact NE-OE1 3.44Å; R170-E191 PolarHBondContact NE-OE1 3.5Å; R170-E191 IonicContact NE-OE2 2.65Å; R170-E191 VanDerWaalsContact NH2-CD 3.3Å; R170-E191 IonicContact NH2-OE1 3.64Å; R170-E191 PolarHBondContact NH2-OE1 2.83Å; R170-E191 IonicContact NH2-OE2 2.71Å; R170-E191 PolarHBondContact NH2-OE2 3.26Å
171	T	98.7	Very high	98.7	Very high	62 Å²	62	32.1 Å²	32.1	38%	0.38	17%	0.171	S	C	.	.			trans	-87	131.4	173.3	57.1	0	0	0	0	110.2	V230 W432	T171-V230 HydrophobicContact CG2-CG2 4.1Å; T171-W432 HydrophobicContact CG2-CD2 4Å; T171-W432 HydrophobicContact CG2-CE3 4.41Å; T171-W432 HydrophobicContact CG2-CH2 4Å; T171-W432 HydrophobicContact CG2-CZ2 3.52Å; T171-W432 HydrophobicContact CG2-CZ3 4.41Å
172	Y	98.8	Very high	98.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.016	20%	0.202	C	C	.	.			trans	-159.8	158.2	176.5	64.9	-84.5	0	0	0	112	D126 A163 S164 R170 Y174 D176 P189 E191	D126-Y172 PolarHBondContact OD1-OH 3.31Å; D126-Y172 WeakPolarHBondContact OD2-CE1 3.48Å; D126-Y172 PolarHBondContact OD2-OH 2.87Å; A163-Y172 HydrophobicContact CB-CD2 3.84Å; A163-Y172 HydrophobicContact CB-CE2 3.69Å; A163-Y172 WeakPolarHBondContact CB-O 3.17Å; S164-Y172 WeakPolarHBondContact CB-O 3.31Å; S164-Y172 PolarHBondContact N-O 3.49Å; S164-Y172 PolarHBondContact OG-N 3.27Å; S164-Y172 PolarHBondContact OG-O 3.22Å; R170-Y172 HydrophobicContact CG-CD1 3.96Å; R170-Y172 HydrophobicContact CG-CE1 4.43Å; R170-Y172 VanDerWaalsContact NH1-CB 3.3Å; Y172-Y174 HydrophobicContact CE2-CE1 4.45Å; Y172-D176 WeakPolarHBondContact CA-OD2 3.39Å; Y172-P189 HydrophobicContact CD2-CG 3.72Å; Y172-P189 HydrophobicContact CE2-CG 3.45Å; Y172-P189 VanDerWaalsContact CE2-CG 3.45Å; Y172-E191 HydrophobicContact CE1-CB 4.45Å; Y172-E191 HydrophobicContact CE1-CG 4.01Å; Y172-E191 VanDerWaalsContact OH-CB 3.29Å; Y172-E191 WeakPolarHBondContact OH-CB 3.16Å
173	T	98.9	Very high	98.7	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.049	20%	0.202	C	C	.	.			trans	-120.8	178.3	162	78.6	0	0	0	0	109.8	A175 D176 T219 P221	T173-A175 VanDerWaalsContact C-N 3.29Å; T173-A175 PolarHBondContact OG1-N 3.5Å; T173-D176 WeakPolarHBondContact CB-OD1 3.48Å; T173-D176 WeakPolarHBondContact CG2-OD1 3.48Å; T173-D176 PolarHBondContact N-OD1 3.16Å; T173-D176 PolarHBondContact N-OD2 3.27Å; T173-D176 PolarHBondContact OG1-OD1 2.87Å; T173-T219 HydrophobicContact CG2-CG2 4.11Å; T173-P221 WeakPolarHBondContact OG1-CG 3.33Å
174	Y	98.9	Very high	98.7	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.016	23%	0.232	C	C	.	.	S	Bend	trans	-80	-10.5	175	-56.8	-45.7	0	0	0	113.2	M162 A163 Y172 F186 S187 L188 D192 Y251 F255	M162-Y174 HydrophobicContact CB-CE2 4.17Å; A163-Y174 HydrophobicContact CB-CD1 3.98Å; A163-Y174 HydrophobicContact CB-CD2 4.3Å; A163-Y174 HydrophobicContact CB-CE1 3.78Å; A163-Y174 HydrophobicContact CB-CE2 4.09Å; A163-Y174 HydrophobicContact CB-CG 4.25Å; A163-Y174 PolarHBondContact N-OH 3.2Å; Y172-Y174 HydrophobicContact CE2-CE1 4.45Å; Y174-F186 VanDerWaalsContact CB-CE2 3.44Å; Y174-F186 AromaticContact CD2-CE2 3.87Å; Y174-F186 HydrophobicContact CD2-CE2 3.87Å; Y174-F186 AromaticContact CD2-CZ 3.6Å; Y174-F186 HydrophobicContact CD2-CZ 3.6Å; Y174-F186 HydrophobicContact CG-CE2 4.07Å; Y174-F186 AromaticContact CG-CZ 3.85Å; Y174-F186 HydrophobicContact CG-CZ 3.85Å; Y174-F186 CarbonylContact O-C 3.54Å; Y174-F186 VanDerWaalsContact O-CA 3.25Å; Y174-F186 WeakPolarHBondContact O-CA 3.33Å; Y174-S187 WeakPolarHBondContact CA-O 3.5Å; Y174-S187 WeakPolarHBondContact CB-O 3.38Å; Y174-S187 WeakPolarHBondContact CD1-O 3.16Å; Y174-S187 PolarHBondContact O-N 2.91Å; Y174-L188 HydrophobicContact CD1-CD2 3.78Å; Y174-L188 HydrophobicContact CD2-CD2 4.34Å; Y174-L188 HydrophobicContact CE1-CD2 3.47Å; Y174-L188 VanDerWaalsContact CE1-CD2 3.47Å; Y174-L188 HydrophobicContact CE2-CD2 4.1Å; Y174-L188 HydrophobicContact CG-CD2 4.19Å; Y174-D192 WeakPolarHBondContact CE1-OD2 3.1Å; Y174-D192 PolarHBondContact OH-OD1 3.21Å; Y174-Y251 WeakPolarHBondContact CB-OH 3.5Å; Y174-Y251 AromaticContact CD2-CE1 3.73Å; Y174-Y251 HydrophobicContact CD2-CE1 3.73Å; Y174-Y251 HydrophobicContact CD2-CE2 4.35Å; Y174-Y251 AromaticContact CD2-CZ 3.5Å; Y174-Y251 VanDerWaalsContact CD2-CZ 3.5Å; Y174-Y251 WeakPolarHBondContact CD2-OH 3.48Å; Y174-Y251 HydrophobicContact CE2-CE1 4.42Å; Y174-Y251 AromaticContact CG-CZ 3.98Å; Y174-Y251 PolarHBondContact N-OH 2.56Å; Y174-F255 HydrophobicContact CD2-CD2 4.27Å; Y174-F255 HydrophobicContact CE2-CB 4.42Å; Y174-F255 AromaticContact CE2-CD2 3.4Å; Y174-F255 HydrophobicContact CE2-CD2 3.4Å; Y174-F255 HydrophobicContact CE2-CE2 4.04Å; Y174-F255 HydrophobicContact CE2-CG 4.26Å; Y174-F255 AromaticContact CZ-CD2 3.94Å
175	A	98.8	Very high	98.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.253	C	S	.	.			trans	-141.4	53.8	-174.2	0	0	0	0	0	111.7	T173 T177 L183 F186 P221 W223 Y251	T173-A175 VanDerWaalsContact C-N 3.29Å; T173-A175 PolarHBondContact OG1-N 3.5Å; A175-T177 PolarHBondContact O-N 3.19Å; A175-L183 HydrophobicContact CB-CD2 3.89Å; A175-F186 HydrophobicContact CB-CD2 4.42Å; A175-P221 HydrophobicContact CB-CG 4Å; A175-P221 WeakPolarHBondContact O-CB 3.33Å; A175-W223 PolarHBondContact O-NE1 3.01Å; A175-Y251 HydrophobicContact CB-CD2 4.25Å; A175-Y251 HydrophobicContact CB-CE2 4.06Å
176	D	98.7	Very high	98.6	Very high	73 Å²	73	50.6 Å²	50.6	39%	0.39	26%	0.259	S	S	.	.			trans	-71.3	-7.8	-177.1	-72.3	-34.2	0	0	0	114.3	Y172 T173 P178	Y172-D176 WeakPolarHBondContact CA-OD2 3.39Å; T173-D176 WeakPolarHBondContact CB-OD1 3.48Å; T173-D176 WeakPolarHBondContact CG2-OD1 3.48Å; T173-D176 PolarHBondContact N-OD1 3.16Å; T173-D176 PolarHBondContact N-OD2 3.27Å; T173-D176 PolarHBondContact OG1-OD1 2.87Å; D176-P178 WeakPolarHBondContact O-CD 3.45Å
177	T	98.6	Very high	98.7	Very high	61 Å²	61	54 Å²	54	37%	0.374	28%	0.283	S	S	.	.	S	Bend	trans	-63.5	120.7	171.5	-59.9	0	0	0	0	110.4	A175 D180 N185 W223	A175-T177 PolarHBondContact O-N 3.19Å; T177-D180 HydrophobicContact CG2-CB 4.45Å; T177-N185 HydrophobicContact CG2-CB 4.39Å; T177-N185 VanDerWaalsContact OG1-CB 3.32Å; T177-N185 WeakPolarHBondContact OG1-CB 3.45Å; T177-W223 PolarHBondContact O-NE1 2.87Å
178	P	98.6	Very high	98.7	Very high	97 Å²	97	55.1 Å²	55.1	63%	0.63	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	139.3	-177.2	-26.7	35.8	0	0	0	113.8	D176 D180	D176-P178 WeakPolarHBondContact O-CD 3.45Å; P178-D180 PolarHBondContact O-N 2.71Å; P178-D180 VanDerWaalsContact O-N 3.14Å
179	D	98.3	Very high	98.7	Very high	98 Å²	98	56.5 Å²	56.5	52%	0.524	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	23.5	174.6	-57.5	-38	0	0	0	115.4	F181	D179-F181 HydrophobicContact CB-CD2 4.35Å; D179-F181 HydrophobicContact CB-CE2 3.9Å; D179-F181 WeakPolarHBondContact O-CD2 3.32Å; D179-F181 PolarHBondContact O-N 2.89Å
180	D	98.7	Very high	98.7	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.08	30%	0.3	C	S	.	.			trans	-74.5	63.7	172.8	-178.7	22.8	0	0	0	112.3	T177 P178 Q182 L183 H184 N185 W223	T177-D180 HydrophobicContact CG2-CB 4.45Å; P178-D180 PolarHBondContact O-N 2.71Å; P178-D180 VanDerWaalsContact O-N 3.14Å; D180-Q182 PolarHBondContact O-N 2.89Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; D180-L183 PolarHBondContact O-N 2.96Å; D180-L183 PolarHBondContact OD1-N 2.79Å; D180-L183 VanDerWaalsContact OD2-C 3.31Å; D180-L183 VanDerWaalsContact OD2-CA 3.24Å; D180-L183 WeakPolarHBondContact OD2-CA 3.33Å; D180-H184 VanDerWaalsContact CG-N 3.35Å; D180-H184 PolarHBondContact OD1-N 2.92Å; D180-H184 PolarHBondContact OD2-N 2.81Å; D180-N185 WeakPolarHBondContact OD2-CB 3.26Å; D180-N185 PolarHBondContact OD2-N 2.73Å; D180-W223 HydrophobicContact CB-CZ2 4.24Å; D180-W223 WeakPolarHBondContact O-CH2 3.22Å
181	F	98.7	Very high	98.7	Very high	45 Å²	45	53.5 Å²	53.5	20%	0.197	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.4	177.8	-65.2	-80.1	0	0	0	113.5	D179 W223 L224 I243 Y244 T247 R250	D179-F181 HydrophobicContact CB-CD2 4.35Å; D179-F181 HydrophobicContact CB-CE2 3.9Å; D179-F181 WeakPolarHBondContact O-CD2 3.32Å; D179-F181 PolarHBondContact O-N 2.89Å; F181-W223 AromaticContact CD1-CZ3 3.79Å; F181-W223 HydrophobicContact CD1-CZ3 3.79Å; F181-W223 HydrophobicContact CD2-CZ3 4.49Å; F181-W223 HydrophobicContact CE1-CE3 4.34Å; F181-W223 AromaticContact CE1-CZ3 3.85Å; F181-W223 HydrophobicContact CE1-CZ3 3.85Å; F181-W223 HydrophobicContact CG-CZ3 4.13Å; F181-W223 HydrophobicContact CZ-CE3 4.38Å; F181-W223 HydrophobicContact CZ-CZ3 4.23Å; F181-L224 HydrophobicContact CE1-CD2 4.23Å; F181-I243 HydrophobicContact CB-CD1 4.02Å; F181-I243 HydrophobicContact CB-CG1 4.36Å; F181-I243 HydrophobicContact CD1-CD1 3.74Å; F181-I243 HydrophobicContact CD1-CG1 3.66Å; F181-I243 HydrophobicContact CD1-CG2 4.4Å; F181-I243 HydrophobicContact CD2-CD1 4.31Å; F181-I243 HydrophobicContact CE1-CD1 4.27Å; F181-I243 HydrophobicContact CE1-CG1 4.22Å; F181-I243 HydrophobicContact CE1-CG2 4.09Å; F181-I243 HydrophobicContact CG-CD1 3.76Å; F181-I243 HydrophobicContact CG-CG1 4.15Å; F181-Y244 AromaticContact CE1-CD1 3.71Å; F181-Y244 HydrophobicContact CE1-CD1 3.71Å; F181-Y244 AromaticContact CE1-CE1 3.7Å; F181-Y244 HydrophobicContact CE1-CE1 3.7Å; F181-Y244 HydrophobicContact CE1-CG 4.49Å; F181-Y244 HydrophobicContact CZ-CD1 4.2Å; F181-Y244 AromaticContact CZ-CE1 3.71Å; F181-Y244 HydrophobicContact CZ-CE1 3.71Å; F181-T247 PolarHBondContact O-OG1 2.79Å; F181-R250 PolarHBondContact O-NH2 3.07Å
182	Q	98.6	Very high	98.7	Very high	136 Å²	136	50.6 Å²	50.6	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.7	177.1	-64.7	-175.7	-2.6	0	0	112.7	D180 H184	D180-Q182 PolarHBondContact O-N 2.89Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; Q182-H184 VanDerWaalsContact C-N 3.26Å; Q182-H184 PolarHBondContact O-N 2.84Å; Q182-H184 PolarHBondContact OE1-CE1 2.84Å; Q182-H184 PolarHBondContact OE1-NE2 3.49Å
183	L	98.7	Very high	98.7	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	28%	0.28	C	S	.	.			trans	55.8	41.8	-177.2	-58.7	175.7	0	0	0	111.7	A175 D180 F186 T247 R250 Y251 K254	A175-L183 HydrophobicContact CB-CD2 3.89Å; D180-L183 PolarHBondContact O-N 2.96Å; D180-L183 PolarHBondContact OD1-N 2.79Å; D180-L183 VanDerWaalsContact OD2-C 3.31Å; D180-L183 VanDerWaalsContact OD2-CA 3.24Å; D180-L183 WeakPolarHBondContact OD2-CA 3.33Å; L183-F186 HydrophobicContact CB-CB 4.12Å; L183-F186 WeakPolarHBondContact O-CB 3.48Å; L183-T247 HydrophobicContact CD1-CG2 4.42Å; L183-T247 HydrophobicContact CD2-CG2 4.02Å; L183-T247 HydrophobicContact CG-CG2 4.17Å; L183-R250 HydrophobicContact CD1-CB 3.86Å; L183-Y251 HydrophobicContact CD2-CD2 4.37Å; L183-K254 HydrophobicContact CB-CG 4.27Å; L183-K254 HydrophobicContact CD1-CG 3.99Å
184	H	98.6	Very high	98.7	Very high	139 Å²	139	57.5 Å²	57.5	64%	0.644	30%	0.302	S	S	*	.	S	Bend	trans	-74.8	-30.9	175.5	-75.7	173.3	0	0	0	112.7	D180 Q182 F186	D180-H184 VanDerWaalsContact CG-N 3.35Å; D180-H184 PolarHBondContact OD1-N 2.92Å; D180-H184 PolarHBondContact OD2-N 2.81Å; Q182-H184 VanDerWaalsContact C-N 3.26Å; Q182-H184 PolarHBondContact O-N 2.84Å; Q182-H184 PolarHBondContact OE1-CE1 2.84Å; Q182-H184 PolarHBondContact OE1-NE2 3.49Å; H184-F186 VanDerWaalsContact C-N 3.34Å
185	N	98.5	Very high	98.7	Very high	86 Å²	86	59 Å²	59	46%	0.46	31%	0.31	S	S	.	.	S	Bend	trans	-93.6	7.3	176.3	-67.1	102.7	0	0	0	112.6	T177 D180 S187	T177-N185 HydrophobicContact CG2-CB 4.39Å; T177-N185 VanDerWaalsContact OG1-CB 3.32Å; T177-N185 WeakPolarHBondContact OG1-CB 3.45Å; D180-N185 WeakPolarHBondContact OD2-CB 3.26Å; D180-N185 PolarHBondContact OD2-N 2.73Å; N185-S187 PolarHBondContact O-N 3.39Å; N185-S187 PolarHBondContact O-OG 2.99Å
186	F	98.8	Very high	98.7	Very high	29 Å²	29	59 Å²	59	13%	0.127	31%	0.309	C	S	.	.			trans	-58.9	121.2	173.6	-174	-77.6	0	0	0	110.7	Y174 A175 L183 H184 Y251 K254 F255 A258	Y174-F186 VanDerWaalsContact CB-CE2 3.44Å; Y174-F186 AromaticContact CD2-CE2 3.87Å; Y174-F186 HydrophobicContact CD2-CE2 3.87Å; Y174-F186 AromaticContact CD2-CZ 3.6Å; Y174-F186 HydrophobicContact CD2-CZ 3.6Å; Y174-F186 HydrophobicContact CG-CE2 4.07Å; Y174-F186 AromaticContact CG-CZ 3.85Å; Y174-F186 HydrophobicContact CG-CZ 3.85Å; Y174-F186 CarbonylContact O-C 3.54Å; Y174-F186 VanDerWaalsContact O-CA 3.25Å; Y174-F186 WeakPolarHBondContact O-CA 3.33Å; A175-F186 HydrophobicContact CB-CD2 4.42Å; L183-F186 HydrophobicContact CB-CB 4.12Å; L183-F186 WeakPolarHBondContact O-CB 3.48Å; H184-F186 VanDerWaalsContact C-N 3.34Å; F186-Y251 AromaticContact CD2-CD2 3.84Å; F186-Y251 HydrophobicContact CD2-CD2 3.84Å; F186-Y251 HydrophobicContact CD2-CE2 4.08Å; F186-Y251 HydrophobicContact CD2-CG 4.39Å; F186-Y251 HydrophobicContact CE2-CD1 4.2Å; F186-Y251 AromaticContact CE2-CD2 3.67Å; F186-Y251 HydrophobicContact CE2-CD2 3.67Å; F186-Y251 HydrophobicContact CE2-CE1 4.29Å; F186-Y251 AromaticContact CE2-CE2 3.78Å; F186-Y251 HydrophobicContact CE2-CE2 3.78Å; F186-Y251 AromaticContact CE2-CG 3.91Å; F186-Y251 HydrophobicContact CE2-CG 3.91Å; F186-K254 HydrophobicContact CD1-CB 3.81Å; F186-K254 HydrophobicContact CD2-CB 3.66Å; F186-K254 HydrophobicContact CD2-CG 4.31Å; F186-K254 HydrophobicContact CE1-CB 3.82Å; F186-K254 WeakPolarHBondContact CE1-O 3.41Å; F186-K254 HydrophobicContact CE2-CB 3.64Å; F186-K254 HydrophobicContact CG-CB 3.76Å; F186-K254 HydrophobicContact CG-CG 4.23Å; F186-K254 HydrophobicContact CZ-CB 3.75Å; F186-F255 HydrophobicContact CZ-CB 3.98Å; F186-F255 VanDerWaalsContact CZ-N 3.35Å; F186-A258 HydrophobicContact CE1-CB 4.2Å
187	S	98.7	Very high	98.7	Very high	74 Å²	74	55.7 Å²	55.7	52%	0.517	29%	0.292	S	S	.	.			trans	-153.4	151.1	178	54.3	0	0	0	0	112.8	Y174 N185	Y174-S187 WeakPolarHBondContact CA-O 3.5Å; Y174-S187 WeakPolarHBondContact CB-O 3.38Å; Y174-S187 WeakPolarHBondContact CD1-O 3.16Å; Y174-S187 PolarHBondContact O-N 2.91Å; N185-S187 PolarHBondContact O-N 3.39Å; N185-S187 PolarHBondContact O-OG 2.99Å
188	L	98.9	Very high	98.7	Very high	26 Å²	26	55.1 Å²	55.1	14%	0.136	29%	0.289	C	S	.	.			trans	-86.6	123.3	171.7	-63.4	-176	0	0	0	109.7	Y174 D192 T193 I197 A258 Y259	Y174-L188 HydrophobicContact CD1-CD2 3.78Å; Y174-L188 HydrophobicContact CD2-CD2 4.34Å; Y174-L188 HydrophobicContact CE1-CD2 3.47Å; Y174-L188 VanDerWaalsContact CE1-CD2 3.47Å; Y174-L188 HydrophobicContact CE2-CD2 4.1Å; Y174-L188 HydrophobicContact CG-CD2 4.19Å; L188-D192 HydrophobicContact CB-CB 3.99Å; L188-D192 HydrophobicContact CD1-CB 4.44Å; L188-D192 HydrophobicContact CD2-CB 4.36Å; L188-D192 HydrophobicContact CG-CB 4.5Å; L188-T193 HydrophobicContact CB-CG2 3.81Å; L188-I197 HydrophobicContact CD1-CD1 3.92Å; L188-A258 HydrophobicContact CD1-CB 3.64Å; L188-A258 HydrophobicContact CD2-CB 4.32Å; L188-A258 HydrophobicContact CG-CB 3.78Å; L188-Y259 HydrophobicContact CD1-CD2 3.76Å; L188-Y259 HydrophobicContact CD1-CE2 3.83Å; L188-Y259 HydrophobicContact CD2-CD2 4.29Å; L188-Y259 HydrophobicContact CD2-CE2 4Å
189	P	98.7	Very high	98.7	Very high	29 Å²	29	50.5 Å²	50.5	19%	0.188	26%	0.259	C	S	.	.			trans	-77.9	-171.8	177.8	33.4	-36.7	0	0	0	112.5	Y172 E191 D192 T193	Y172-P189 HydrophobicContact CD2-CG 3.72Å; Y172-P189 HydrophobicContact CE2-CG 3.45Å; Y172-P189 VanDerWaalsContact CE2-CG 3.45Å; P189-E191 VanDerWaalsContact C-N 3.32Å; P189-E191 PolarHBondContact O-N 3.07Å; P189-D192 PolarHBondContact O-N 3.39Å; P189-T193 PolarHBondContact O-N 3.46Å; P189-T193 PolarHBondContact O-OG1 2.97Å
190	E	98.7	Very high	98.7	Very high	112 Å²	112	45.9 Å²	45.9	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-67.5	-28.9	-178.1	-57.1	-154.3	165	0	0	113.4	D192 T193 K194 L195	E190-D192 VanDerWaalsContact C-N 3.27Å; E190-D192 PolarHBondContact O-N 3.4Å; E190-T193 WeakPolarHBondContact CA-OG1 3.25Å; E190-K194 HydrophobicContact CB-CB 4.5Å; E190-K194 HydrophobicContact CB-CD 4.16Å; E190-K194 HydrophobicContact CB-CG 4.27Å; E190-K194 HydrophobicContact CG-CD 4.24Å; E190-K194 WeakPolarHBondContact O-CA 3.5Å; E190-K194 VanDerWaalsContact O-CB 3.32Å; E190-K194 WeakPolarHBondContact O-CB 3.19Å; E190-K194 PolarHBondContact O-N 3.46Å; E190-K194 VanDerWaalsContact OE1-CE 3.32Å; E190-K194 WeakPolarHBondContact OE1-CE 3.47Å; E190-K194 IonicContact OE1-NZ 2.69Å; E190-K194 PolarHBondContact OE1-NZ 2.9Å; E190-K194 WeakPolarHBondContact OE2-CD 3.44Å; E190-K194 VanDerWaalsContact OE2-CE 3.31Å; E190-K194 WeakPolarHBondContact OE2-CE 3.28Å; E190-K194 IonicContact OE2-NZ 2.83Å; E190-K194 PolarHBondContact OE2-NZ 3.45Å; E190-L195 PolarHBondContact O-N 3.01Å
191	E	98.8	Very high	98.8	Very high	22 Å²	22	47.5 Å²	47.5	10%	0.103	24%	0.242	C	C	.	.	I	π-helix	trans	-55.9	-43.5	173.1	-73.1	78.5	178.1	0	0	111.5	R170 Y172 P189 L195 K196	R170-E191 IonicContact CZ-OE1 3.46Å; R170-E191 IonicContact CZ-OE2 2.72Å; R170-E191 IonicContact NE-OE1 3.44Å; R170-E191 PolarHBondContact NE-OE1 3.5Å; R170-E191 IonicContact NE-OE2 2.65Å; R170-E191 VanDerWaalsContact NH2-CD 3.3Å; R170-E191 IonicContact NH2-OE1 3.64Å; R170-E191 PolarHBondContact NH2-OE1 2.83Å; R170-E191 IonicContact NH2-OE2 2.71Å; R170-E191 PolarHBondContact NH2-OE2 3.26Å; Y172-E191 HydrophobicContact CE1-CB 4.45Å; Y172-E191 HydrophobicContact CE1-CG 4.01Å; Y172-E191 VanDerWaalsContact OH-CB 3.29Å; Y172-E191 WeakPolarHBondContact OH-CB 3.16Å; P189-E191 VanDerWaalsContact C-N 3.32Å; P189-E191 PolarHBondContact O-N 3.07Å; E191-L195 HydrophobicContact CG-CD1 4.4Å; E191-L195 VanDerWaalsContact O-CB 3.26Å; E191-L195 WeakPolarHBondContact O-CB 3.45Å; E191-L195 PolarHBondContact O-N 2.89Å; E191-K196 WeakPolarHBondContact O-CD 3.37Å; E191-K196 WeakPolarHBondContact O-CG 3.26Å; E191-K196 PolarHBondContact O-N 2.87Å
192	D	98.9	Very high	98.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-76.8	-58.2	174.6	-65.1	-95.8	0	0	0	111	Y174 L188 P189 E190 K194 K196 I197 Y259	Y174-D192 WeakPolarHBondContact CE1-OD2 3.1Å; Y174-D192 PolarHBondContact OH-OD1 3.21Å; L188-D192 HydrophobicContact CB-CB 3.99Å; L188-D192 HydrophobicContact CD1-CB 4.44Å; L188-D192 HydrophobicContact CD2-CB 4.36Å; L188-D192 HydrophobicContact CG-CB 4.5Å; P189-D192 PolarHBondContact O-N 3.39Å; E190-D192 VanDerWaalsContact C-N 3.27Å; E190-D192 PolarHBondContact O-N 3.4Å; D192-K194 PolarHBondContact O-N 2.83Å; D192-K196 PolarHBondContact O-N 3.34Å; D192-K196 WeakPolarHBondContact OD1-CE 3.39Å; D192-K196 IonicContact OD1-NZ 3.45Å; D192-K196 PolarHBondContact OD1-NZ 3.12Å; D192-K196 IonicContact OD2-NZ 2.9Å; D192-I197 HydrophobicContact CB-CD1 4.31Å; D192-I197 WeakPolarHBondContact O-CB 3.22Å; D192-I197 VanDerWaalsContact O-CG1 3.28Å; D192-I197 WeakPolarHBondContact O-CG1 3.4Å; D192-I197 PolarHBondContact O-N 3.15Å; D192-Y259 PolarHBondContact OD1-OH 2.91Å
193	T	98.8	Very high	98.8	Very high	44 Å²	44	41.5 Å²	41.5	27%	0.27	21%	0.212	S	C	.	.	I	π-helix	trans	-73.4	-27.9	-167.3	56.8	0	0	0	0	114.7	L188 P189 E190 P198	L188-T193 HydrophobicContact CB-CG2 3.81Å; P189-T193 PolarHBondContact O-N 3.46Å; P189-T193 PolarHBondContact O-OG1 2.97Å; E190-T193 WeakPolarHBondContact CA-OG1 3.25Å; T193-P198 WeakPolarHBondContact O-CG 3.23Å
194	K	98.6	Very high	98.8	Very high	114 Å²	114	44.1 Å²	44.1	50%	0.496	23%	0.225	S	C	.	.	I	π-helix	trans	-110.4	-25.3	179.8	-58.3	-171	-171.2	167.9	0	114.2	E190 D192	E190-K194 HydrophobicContact CB-CB 4.5Å; E190-K194 HydrophobicContact CB-CD 4.16Å; E190-K194 HydrophobicContact CB-CG 4.27Å; E190-K194 HydrophobicContact CG-CD 4.24Å; E190-K194 WeakPolarHBondContact O-CA 3.5Å; E190-K194 VanDerWaalsContact O-CB 3.32Å; E190-K194 WeakPolarHBondContact O-CB 3.19Å; E190-K194 PolarHBondContact O-N 3.46Å; E190-K194 VanDerWaalsContact OE1-CE 3.32Å; E190-K194 WeakPolarHBondContact OE1-CE 3.47Å; E190-K194 IonicContact OE1-NZ 2.69Å; E190-K194 PolarHBondContact OE1-NZ 2.9Å; E190-K194 WeakPolarHBondContact OE2-CD 3.44Å; E190-K194 VanDerWaalsContact OE2-CE 3.31Å; E190-K194 WeakPolarHBondContact OE2-CE 3.28Å; E190-K194 IonicContact OE2-NZ 2.83Å; E190-K194 PolarHBondContact OE2-NZ 3.45Å; D192-K194 PolarHBondContact O-N 2.83Å
195	L	98.7	Very high	98.8	Very high	35 Å²	35	44.6 Å²	44.6	18%	0.183	23%	0.228	C	C	.	.	I	π-helix	trans	-104	-69.1	-179.1	-39.4	179.3	0	0	0	112.5	A129 L130 L133 E190 E191 L199	A129-L195 HydrophobicContact CB-CB 3.78Å; L130-L195 HydrophobicContact CD2-CD1 3.72Å; L130-L195 HydrophobicContact CG-CD1 3.99Å; L133-L195 HydrophobicContact CD1-CB 3.92Å; L133-L195 HydrophobicContact CD1-CD2 3.64Å; L133-L195 HydrophobicContact CD1-CG 4.39Å; E190-L195 PolarHBondContact O-N 3.01Å; E191-L195 HydrophobicContact CG-CD1 4.4Å; E191-L195 VanDerWaalsContact O-CB 3.26Å; E191-L195 WeakPolarHBondContact O-CB 3.45Å; E191-L195 PolarHBondContact O-N 2.89Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 WeakPolarHBondContact O-CG 3.15Å; L195-L199 PolarHBondContact O-N 2.98Å
196	K	98.9	Very high	98.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-66.4	-54.9	-171.8	-67.9	152.3	63.9	-174.3	0	112.2	M124 D126 A129 P161 E191 D192 L199 I200	M124-K196 HydrophobicContact CG-CB 4.38Å; M124-K196 HydrophobicContact CG-CG 4.27Å; D126-K196 WeakPolarHBondContact OD1-CD 3.43Å; A129-K196 HydrophobicContact CB-CG 4.41Å; P161-K196 PolarHBondContact O-NZ 2.95Å; E191-K196 WeakPolarHBondContact O-CD 3.37Å; E191-K196 WeakPolarHBondContact O-CG 3.26Å; E191-K196 PolarHBondContact O-N 2.87Å; D192-K196 PolarHBondContact O-N 3.34Å; D192-K196 WeakPolarHBondContact OD1-CE 3.39Å; D192-K196 IonicContact OD1-NZ 3.45Å; D192-K196 PolarHBondContact OD1-NZ 3.12Å; D192-K196 IonicContact OD2-NZ 2.9Å; K196-L199 PolarHBondContact O-N 3.43Å; K196-I200 HydrophobicContact CB-CD1 4.39Å; K196-I200 WeakPolarHBondContact O-CD1 3.34Å; K196-I200 VanDerWaalsContact O-CG1 3.23Å; K196-I200 WeakPolarHBondContact O-CG1 3.23Å; K196-I200 PolarHBondContact O-N 2.86Å
197	I	98.9	Very high	98.7	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47.2	-174.5	-68.5	172.8	0	0	0	111.8	L188 D192 L199 I200 H201 Y259 H262 L264	L188-I197 HydrophobicContact CD1-CD1 3.92Å; D192-I197 HydrophobicContact CB-CD1 4.31Å; D192-I197 WeakPolarHBondContact O-CB 3.22Å; D192-I197 VanDerWaalsContact O-CG1 3.28Å; D192-I197 WeakPolarHBondContact O-CG1 3.4Å; D192-I197 PolarHBondContact O-N 3.15Å; I197-L199 VanDerWaalsContact C-N 3.35Å; I197-L199 PolarHBondContact O-N 3.17Å; I197-I200 PolarHBondContact O-N 3.22Å; I197-H201 PolarHBondContact O-CD2 3.43Å; I197-H201 VanDerWaalsContact O-CD2 3.31Å; I197-H201 PolarHBondContact O-N 2.69Å; I197-Y259 HydrophobicContact CD1-CD1 4.43Å; I197-Y259 HydrophobicContact CD1-CD2 4.34Å; I197-Y259 HydrophobicContact CD1-CE1 4.16Å; I197-Y259 HydrophobicContact CD1-CE2 4.04Å; I197-Y259 HydrophobicContact CG1-CD1 4.28Å; I197-Y259 HydrophobicContact CG1-CE1 3.72Å; I197-Y259 HydrophobicContact CG1-CE2 4.4Å; I197-H262 HydrophobicContact CD1-CB 4.04Å; I197-H262 HydrophobicContact CG2-CB 3.88Å; I197-L264 HydrophobicContact CB-CD1 4.3Å; I197-L264 HydrophobicContact CG1-CD1 4.04Å; I197-L264 HydrophobicContact CG2-CD1 3.99Å
198	P	98.8	Very high	98.6	Very high	50 Å²	50	45.6 Å²	45.6	33%	0.325	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-35.9	176.1	-26.9	38.5	0	0	0	114	T193 R202	T193-P198 WeakPolarHBondContact O-CG 3.23Å; P198-R202 WeakPolarHBondContact O-CD 3.23Å; P198-R202 VanDerWaalsContact O-CG 3.27Å; P198-R202 WeakPolarHBondContact O-CG 3.44Å; P198-R202 PolarHBondContact O-N 3.36Å; P198-R202 VanDerWaalsContact O-N 3.13Å
199	L	98.9	Very high	98.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.8	-39.5	175.1	-73.9	177.2	0	0	0	112.7	M124 A129 I132 L133 L144 L195 K196 I197 R202 A203	M124-L199 HydrophobicContact CE-CB 3.85Å; M124-L199 HydrophobicContact SD-CB 4.01Å; M124-L199 HydrophobicContact SD-CD1 3.82Å; A129-L199 VanDerWaalsContact CA-CD1 3.49Å; A129-L199 HydrophobicContact CB-CD1 3.67Å; I132-L199 HydrophobicContact CB-CD1 4.19Å; I132-L199 HydrophobicContact CD1-CD1 4.39Å; I132-L199 HydrophobicContact CG2-CD1 4.25Å; I132-L199 HydrophobicContact CG2-CD2 3.76Å; L133-L199 HydrophobicContact CD1-CD1 4.06Å; L133-L199 HydrophobicContact CD1-CG 4.26Å; L133-L199 HydrophobicContact CD2-CD2 3.98Å; L133-L199 HydrophobicContact CD2-CG 4.32Å; L133-L199 HydrophobicContact CG-CD1 4.03Å; L133-L199 HydrophobicContact CG-CD2 4.21Å; L133-L199 HydrophobicContact CG-CG 4.22Å; L144-L199 HydrophobicContact CD1-CD2 4.11Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 WeakPolarHBondContact O-CG 3.15Å; L195-L199 PolarHBondContact O-N 2.98Å; K196-L199 PolarHBondContact O-N 3.43Å; I197-L199 VanDerWaalsContact C-N 3.35Å; I197-L199 PolarHBondContact O-N 3.17Å; L199-R202 PolarHBondContact O-N 3.46Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 2.87Å
200	I	98.9	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-46	175.3	-67.9	162.8	0	0	0	109.8	M124 I158 V160 K196 I197 R202 A203 L204 L213 Y259 L264	M124-I200 HydrophobicContact CB-CG1 4.45Å; M124-I200 HydrophobicContact CG-CD1 4.47Å; M124-I200 HydrophobicContact CG-CG1 4.17Å; I158-I200 HydrophobicContact CD1-CG2 4.45Å; I158-I200 HydrophobicContact CG2-CG1 4.45Å; V160-I200 HydrophobicContact CG1-CD1 4.35Å; V160-I200 HydrophobicContact CG2-CD1 3.79Å; K196-I200 HydrophobicContact CB-CD1 4.39Å; K196-I200 WeakPolarHBondContact O-CD1 3.34Å; K196-I200 VanDerWaalsContact O-CG1 3.23Å; K196-I200 WeakPolarHBondContact O-CG1 3.23Å; K196-I200 PolarHBondContact O-N 2.86Å; I197-I200 PolarHBondContact O-N 3.22Å; I200-R202 VanDerWaalsContact C-N 3.34Å; I200-R202 PolarHBondContact O-N 2.76Å; I200-A203 WeakPolarHBondContact O-CB 3.27Å; I200-A203 PolarHBondContact O-N 2.81Å; I200-L204 HydrophobicContact CG2-CD1 3.91Å; I200-L204 WeakPolarHBondContact O-CD1 3.43Å; I200-L204 PolarHBondContact O-N 3.28Å; I200-L213 HydrophobicContact CG2-CD1 4.03Å; I200-L213 HydrophobicContact CG2-CD2 3.79Å; I200-Y259 HydrophobicContact CD1-CE1 4.38Å; I200-L264 HydrophobicContact CB-CD1 4.16Å; I200-L264 HydrophobicContact CD1-CD1 4.4Å; I200-L264 HydrophobicContact CG2-CD1 3.83Å; I200-L264 HydrophobicContact CG2-CD2 3.74Å; I200-L264 HydrophobicContact CG2-CG 4.44Å
201	H	98.9	Very high	98.5	Very high	50 Å²	50	45.8 Å²	45.8	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-44.3	174.1	-85.3	-62.8	0	0	0	112.8	I197 A203 L204 Q205 H262 L264	I197-H201 PolarHBondContact O-CD2 3.43Å; I197-H201 VanDerWaalsContact O-CD2 3.31Å; I197-H201 PolarHBondContact O-N 2.69Å; H201-A203 PolarHBondContact O-N 3.02Å; H201-L204 PolarHBondContact O-N 2.81Å; H201-Q205 WeakPolarHBondContact O-CB 3.26Å; H201-Q205 WeakPolarHBondContact O-CG 3.34Å; H201-Q205 PolarHBondContact O-N 3.24Å; H201-H262 PolarHBondContact CE1-O 3.22Å; H201-H262 PolarHBondContact NE2-O 3.32Å; H201-L264 VanDerWaalsContact CE1-CD2 3.45Å; H201-L264 WeakPolarHBondContact CE1-CD2 3.36Å
202	R	98.8	Very high	98.5	Very high	54 Å²	54	45.3 Å²	45.3	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-37.4	176.5	-71	164.9	65.2	-173.7	6.1	112.6	Q140 N141 L144 P198 L199 I200 Q205 L206	Q140-R202 VanDerWaalsContact CB-NH2 3.33Å; Q140-R202 VanDerWaalsContact OE1-CZ 3.3Å; N141-R202 PolarHBondContact OD1-NH2 3.12Å; L144-R202 HydrophobicContact CD1-CB 3.81Å; P198-R202 WeakPolarHBondContact O-CD 3.23Å; P198-R202 VanDerWaalsContact O-CG 3.27Å; P198-R202 WeakPolarHBondContact O-CG 3.44Å; P198-R202 PolarHBondContact O-N 3.36Å; P198-R202 VanDerWaalsContact O-N 3.13Å; L199-R202 PolarHBondContact O-N 3.46Å; I200-R202 VanDerWaalsContact C-N 3.34Å; I200-R202 PolarHBondContact O-N 2.76Å; R202-Q205 PolarHBondContact O-N 2.92Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.38Å; R202-L206 PolarHBondContact O-N 3.26Å
203	A	98.7	Very high	98.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-48.4	174.6	0	0	0	0	0	111.5	F148 I158 L199 I200 H201 Q205 L206 A207	F148-A203 HydrophobicContact CD1-CB 4.1Å; F148-A203 HydrophobicContact CD2-CB 3.44Å; F148-A203 VanDerWaalsContact CD2-CB 3.44Å; F148-A203 HydrophobicContact CE1-CB 4.16Å; F148-A203 HydrophobicContact CE2-CB 3.51Å; F148-A203 HydrophobicContact CG-CB 3.77Å; F148-A203 HydrophobicContact CZ-CB 3.88Å; I158-A203 HydrophobicContact CD1-CB 3.89Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 2.87Å; I200-A203 WeakPolarHBondContact O-CB 3.27Å; I200-A203 PolarHBondContact O-N 2.81Å; H201-A203 PolarHBondContact O-N 3.02Å; A203-Q205 VanDerWaalsContact C-N 3.31Å; A203-Q205 PolarHBondContact O-N 2.78Å; A203-L206 PolarHBondContact O-N 2.9Å; A203-L206 VanDerWaalsContact O-N 3.15Å; A203-A207 PolarHBondContact O-N 3.25Å; A203-A207 VanDerWaalsContact O-N 3.12Å
204	L	98.5	Very high	98.5	Very high	58 Å²	58	43.3 Å²	43.3	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-37.1	176.3	-92.5	61.2	0	0	0	112.4	I158 I200 H201 L206 A207 V211 L213 L264	I158-L204 HydrophobicContact CD1-CD1 4.2Å; I200-L204 HydrophobicContact CG2-CD1 3.91Å; I200-L204 WeakPolarHBondContact O-CD1 3.43Å; I200-L204 PolarHBondContact O-N 3.28Å; H201-L204 PolarHBondContact O-N 2.81Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 3.17Å; L204-A207 PolarHBondContact O-N 3.1Å; L204-V211 HydrophobicContact CD1-CB 3.62Å; L204-V211 HydrophobicContact CD1-CG1 3.72Å; L204-V211 HydrophobicContact CD1-CG2 4.09Å; L204-V211 HydrophobicContact CG-CB 4.02Å; L204-V211 HydrophobicContact CG-CG2 4.36Å; L204-L213 HydrophobicContact CD1-CD2 4.29Å; L204-L264 HydrophobicContact CD2-CD2 4.13Å
205	Q	98.6	Very high	98.5	Very high	150 Å²	150	37.9 Å²	37.9	70%	0.701	20%	0.196	S	C	*	.	H	α-helix	trans	-70.1	-22.8	176.6	-73.2	165	15.3	0	0	114	H201 R202 A203	H201-Q205 WeakPolarHBondContact O-CB 3.26Å; H201-Q205 WeakPolarHBondContact O-CG 3.34Å; H201-Q205 PolarHBondContact O-N 3.24Å; R202-Q205 PolarHBondContact O-N 2.92Å; A203-Q205 VanDerWaalsContact C-N 3.31Å; A203-Q205 PolarHBondContact O-N 2.78Å
206	L	98.3	Very high	98.5	Very high	44 Å²	44	36.2 Å²	36.2	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-90.7	-20.9	177.2	-71.1	170.4	0	0	0	112.9	L144 K145 F148 S149 R202 A203 L204	L144-L206 HydrophobicContact CB-CD1 3.57Å; K145-L206 HydrophobicContact CD-CD2 4.48Å; K145-L206 HydrophobicContact CG-CD1 4.05Å; K145-L206 HydrophobicContact CG-CD2 3.81Å; K145-L206 HydrophobicContact CG-CG 4.46Å; F148-L206 HydrophobicContact CB-CB 4.49Å; S149-L206 WeakPolarHBondContact CA-O 3.03Å; S149-L206 WeakPolarHBondContact CB-O 3.35Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.38Å; R202-L206 PolarHBondContact O-N 3.26Å; A203-L206 PolarHBondContact O-N 2.9Å; A203-L206 VanDerWaalsContact O-N 3.15Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 3.17Å
207	A	98	Very high	98.5	Very high	17 Å²	17	36.2 Å²	36.2	14%	0.14	19%	0.187	C	C	.	.			trans	-82.5	131.4	179.6	0	0	0	0	0	111.8	F148 A203 L204 V211	F148-A207 HydrophobicContact CB-CB 4.45Å; F148-A207 WeakPolarHBondContact O-CA 3.46Å; A203-A207 PolarHBondContact O-N 3.25Å; A203-A207 VanDerWaalsContact O-N 3.12Å; L204-A207 PolarHBondContact O-N 3.1Å; A207-V211 HydrophobicContact CB-CG2 3.49Å; A207-V211 VanDerWaalsContact CB-CG2 3.49Å
208	Q	96.4	Very high	98.5	Very high	149 Å²	149	36 Å²	36	70%	0.696	19%	0.187	S	C	*	.	S	Bend	trans	-84.6	-22.8	166.3	-60.9	-174	20.8	0	0	111.6	E150	E150-Q208 HydrophobicContact CG-CB 4.14Å; E150-Q208 HydrophobicContact CG-CG 4.13Å
209	R	97.1	Very high	98.5	Very high	39 Å²	39	33.8 Å²	33.8	15%	0.147	17%	0.172	C	C	.	.	S	Bend	trans	-84.2	140.5	175.8	-58	172.6	-164.9	-168	-1.4	109.6	E150 G154 N156 V211 S463 K464	E150-R209 WeakPolarHBondContact OE1-CG 3.19Å; E150-R209 IonicContact OE1-CZ 2.69Å; E150-R209 IonicContact OE1-NE 3.15Å; E150-R209 PolarHBondContact OE1-NE 2.91Å; E150-R209 IonicContact OE1-NH2 3.72Å; E150-R209 PolarHBondContact OE1-NH2 3.49Å; E150-R209 IonicContact OE2-CZ 3.78Å; E150-R209 IonicContact OE2-NE 3.37Å; E150-R209 IonicContact OE2-NH2 2.83Å; E150-R209 PolarHBondContact OE2-NH2 3.14Å; G154-R209 PolarHBondContact O-NH1 3.39Å; G154-R209 VanDerWaalsContact O-NH1 3.1Å; N156-R209 HydrophobicContact CB-CB 4.33Å; R209-V211 PolarHBondContact O-N 2.83Å; R209-V211 VanDerWaalsContact O-N 3.14Å; R209-S463 PolarHBondContact NH1-O 2.84Å; R209-K464 PolarHBondContact NH2-O 3.3Å
210	P	98.2	Very high	98.5	Very high	107 Å²	107	33.8 Å²	33.8	70%	0.695	17%	0.172	S	C	*	.	P	Polyproline II helix	trans	-57.7	118.1	171.1	-24.2	34.5	0	0	0	111.3
211	V	98.8	Very high	98.5	Very high	24 Å²	24	33.8 Å²	33.8	15%	0.145	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-87.8	127.8	178.1	-176.1	0	0	0	0	109.7	N156 I158 L204 A207 R209 L213	N156-V211 CarbonylContact O-C 3.04Å; N156-V211 WeakPolarHBondContact O-CA 3.22Å; I158-V211 HydrophobicContact CD1-CG1 3.91Å; I158-V211 HydrophobicContact CG1-CG1 3.86Å; L204-V211 HydrophobicContact CD1-CB 3.62Å; L204-V211 HydrophobicContact CD1-CG1 3.72Å; L204-V211 HydrophobicContact CD1-CG2 4.09Å; L204-V211 HydrophobicContact CG-CB 4.02Å; L204-V211 HydrophobicContact CG-CG2 4.36Å; A207-V211 HydrophobicContact CB-CG2 3.49Å; A207-V211 VanDerWaalsContact CB-CG2 3.49Å; R209-V211 PolarHBondContact O-N 2.83Å; R209-V211 VanDerWaalsContact O-N 3.14Å; V211-L213 HydrophobicContact CG1-CD2 4.45Å
212	S	98.9	Very high	98.5	Very high	13 Å²	13	33.5 Å²	33.5	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.3	179.4	-63.4	0	0	0	0	110.8	K118 N156 I157 I158	K118-S212 VanDerWaalsContact CE-OG 3.23Å; K118-S212 WeakPolarHBondContact CE-OG 3.38Å; K118-S212 PolarHBondContact NZ-OG 3Å; N156-S212 PolarHBondContact O-N 2.95Å; I157-S212 WeakPolarHBondContact CA-O 3.36Å; I158-S212 PolarHBondContact N-O 3.31Å; I158-S212 VanDerWaalsContact N-O 3.09Å
213	L	98.9	Very high	98.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135	175	-49.1	-178.5	0	0	0	110.3	I158 I200 L204 V211 L264 F266 W267 A268	I158-L213 HydrophobicContact CB-CD2 3.87Å; I158-L213 HydrophobicContact CD1-CD2 4.26Å; I158-L213 HydrophobicContact CG1-CD2 4.44Å; I158-L213 WeakPolarHBondContact O-CA 3.31Å; I200-L213 HydrophobicContact CG2-CD1 4.03Å; I200-L213 HydrophobicContact CG2-CD2 3.79Å; L204-L213 HydrophobicContact CD1-CD2 4.29Å; V211-L213 HydrophobicContact CG1-CD2 4.45Å; L213-L264 HydrophobicContact CD1-CB 3.95Å; L213-L264 HydrophobicContact CD1-CD1 4.47Å; L213-L264 HydrophobicContact CD1-CD2 4.29Å; L213-L264 HydrophobicContact CD1-CG 4.47Å; L213-F266 HydrophobicContact CB-CD1 3.5Å; L213-F266 HydrophobicContact CB-CE1 3.6Å; L213-F266 HydrophobicContact CB-CG 4.16Å; L213-F266 HydrophobicContact CB-CZ 4.34Å; L213-F266 HydrophobicContact CD1-CE1 4.48Å; L213-F266 HydrophobicContact CD1-CZ 4.44Å; L213-W267 PolarHBondContact O-N 3.21Å; L213-A268 PolarHBondContact O-N 3.13Å
214	L	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.1	172.7	172.3	65.2	0	0	0	108.2	I158 R159 V160 A268 T270 L318 F376	I158-L214 PolarHBondContact O-N 2.99Å; R159-L214 CarbonylContact C-O 3.59Å; R159-L214 VanDerWaalsContact CA-O 3.28Å; R159-L214 WeakPolarHBondContact CA-O 3.4Å; R159-L214 HydrophobicContact CG-CD2 4.17Å; R159-L214 HydrophobicContact CG-CG 4.25Å; V160-L214 PolarHBondContact N-O 3.38Å; L214-A268 WeakPolarHBondContact CA-O 3.49Å; L214-A268 HydrophobicContact CD1-CB 3.67Å; L214-T270 HydrophobicContact CD1-CG2 3.85Å; L214-T270 HydrophobicContact CD2-CG2 4.49Å; L214-T270 HydrophobicContact CG-CG2 4.44Å; L214-L318 HydrophobicContact CD1-CD1 4.02Å; L214-F376 HydrophobicContact CD2-CD1 4.45Å; L214-F376 HydrophobicContact CD2-CE1 3.76Å
215	A	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.4	175.7	0	0	0	0	0	112.9	V160 M162 F255 F266 A268 V269 T270	V160-A215 WeakPolarHBondContact O-CA 3.21Å; M162-A215 HydrophobicContact CG-CB 3.9Å; M162-A215 HydrophobicContact SD-CB 3.97Å; A215-F255 HydrophobicContact CB-CD1 4.41Å; A215-F255 HydrophobicContact CB-CE1 3.36Å; A215-F255 HydrophobicContact CB-CZ 3.7Å; A215-F266 HydrophobicContact CB-CD1 3.69Å; A215-F266 HydrophobicContact CB-CE1 3.46Å; A215-F266 VanDerWaalsContact CB-CE1 3.46Å; A215-F266 HydrophobicContact CB-CG 4.48Å; A215-F266 HydrophobicContact CB-CZ 4.08Å; A215-A268 PolarHBondContact N-O 3.39Å; A215-V269 HydrophobicContact CB-CG1 3.85Å; A215-V269 CarbonylContact O-C 3.3Å; A215-V269 WeakPolarHBondContact O-CA 3.38Å; A215-T270 PolarHBondContact O-N 2.76Å
216	S	98.9	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	129.9	178.7	-58.1	0	0	0	0	110	R159 V160 M162 W218 T270 D321	R159-S216 PolarHBondContact NE-OG 3.05Å; R159-S216 VanDerWaalsContact NE-OG 3.11Å; R159-S216 VanDerWaalsContact NH2-CB 3.29Å; R159-S216 PolarHBondContact NH2-OG 2.75Å; R159-S216 VanDerWaalsContact NH2-OG 3.16Å; V160-S216 PolarHBondContact O-N 3.09Å; M162-S216 PolarHBondContact N-O 2.96Å; S216-W218 VanDerWaalsContact O-CE3 3.3Å; S216-W218 VanDerWaalsContact O-CZ3 3.24Å; S216-W218 WeakPolarHBondContact O-CZ3 3.38Å; S216-T270 WeakPolarHBondContact CB-OG1 3.42Å; S216-T270 WeakPolarHBondContact OG-CG2 3.34Å; S216-T270 PolarHBondContact OG-OG1 2.99Å; S216-D321 PolarHBondContact OG-OD2 3.23Å
217	P	98.9	Very high	98.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	149.4	169.3	34	-29.6	0	0	0	111.3	M162 W248 F252 N273	M162-P217 HydrophobicContact CB-CB 4.01Å; M162-P217 HydrophobicContact CE-CB 4.3Å; M162-P217 HydrophobicContact CE-CG 4.46Å; M162-P217 HydrophobicContact SD-CB 4.19Å; M162-P217 HydrophobicContact SD-CG 4.19Å; P217-W248 HydrophobicContact CB-CH2 3.72Å; P217-W248 HydrophobicContact CB-CZ2 3.63Å; P217-W248 HydrophobicContact CG-CH2 4.29Å; P217-W248 HydrophobicContact CG-CZ2 3.74Å; P217-F252 HydrophobicContact CG-CE1 4.05Å; P217-F252 HydrophobicContact CG-CE2 4.36Å; P217-F252 HydrophobicContact CG-CZ 3.59Å; P217-N273 WeakPolarHBondContact O-CB 3.34Å; P217-N273 PolarHBondContact O-N 2.86Å
218	W	98.8	Very high	98.6	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	16%	0.164	C	C	.	.	S	Bend	trans	-105.8	-22	170.9	-81.2	-120.8	0	0	0	112.6	P161 C165 S216 E272 N273 Q286 C287 L288 W420	P161-W218 HydrophobicContact CB-CE3 4.18Å; P161-W218 HydrophobicContact CB-CH2 3.72Å; P161-W218 HydrophobicContact CB-CZ3 3.53Å; P161-W218 HydrophobicContact CG-CH2 3.61Å; P161-W218 HydrophobicContact CG-CZ2 4.47Å; P161-W218 HydrophobicContact CG-CZ3 3.92Å; C165-W218 HydrophobicContact CB-CD2 3.69Å; C165-W218 HydrophobicContact CB-CE3 4.35Å; C165-W218 HydrophobicContact CB-CG 4.01Å; C165-W218 HydrophobicContact CB-CH2 4.09Å; C165-W218 HydrophobicContact CB-CZ2 3.32Å; S216-W218 VanDerWaalsContact O-CE3 3.3Å; S216-W218 VanDerWaalsContact O-CZ3 3.24Å; S216-W218 WeakPolarHBondContact O-CZ3 3.38Å; W218-E272 WeakPolarHBondContact CA-OE1 3.34Å; W218-E272 VanDerWaalsContact O-OE1 3.1Å; W218-N273 HydrophobicContact CD2-CB 3.84Å; W218-N273 HydrophobicContact CE3-CB 3.91Å; W218-N273 HydrophobicContact CG-CB 4.09Å; W218-Q286 HydrophobicContact CB-CB 3.67Å; W218-Q286 HydrophobicContact CG-CB 4.44Å; W218-Q286 CarbonylContact O-C 3.58Å; W218-Q286 VanDerWaalsContact O-C 3.3Å; W218-C287 CarbonylContact O-C 3.55Å; W218-C287 WeakPolarHBondContact O-CA 3.17Å; W218-C287 PolarHBondContact O-N 3Å; W218-L288 PolarHBondContact O-N 2.7Å; W218-W420 AromaticContact CH2-CH2 3.5Å; W218-W420 HydrophobicContact CH2-CH2 3.5Å; W218-W420 VanDerWaalsContact CH2-CH2 3.5Å; W218-W420 HydrophobicContact CH2-CZ2 4.2Å; W218-W420 HydrophobicContact CH2-CZ3 4.19Å; W218-W420 AromaticContact CZ2-CH2 3.1Å; W218-W420 HydrophobicContact CZ2-CH2 3.1Å; W218-W420 AromaticContact CZ2-CZ2 3.42Å; W218-W420 HydrophobicContact CZ2-CZ2 3.42Å; W218-W420 VanDerWaalsContact CZ2-CZ2 3.42Å; W218-W420 HydrophobicContact CZ2-CZ3 4.19Å
219	T	98.9	Very high	98.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	14%	0.143	C	C	.	.			trans	-157.3	144.4	177.3	-175.4	0	0	0	0	109.7	T173 K225 V230 W248 Q286	T173-T219 HydrophobicContact CG2-CG2 4.11Å; T219-K225 WeakPolarHBondContact OG1-CD 3.47Å; T219-K225 PolarHBondContact OG1-NZ 2.69Å; T219-V230 HydrophobicContact CG2-CB 4.27Å; T219-V230 HydrophobicContact CG2-CG1 4.39Å; T219-V230 PolarHBondContact OG1-O 3.02Å; T219-W248 WeakPolarHBondContact O-CH2 3.41Å; T219-Q286 HydrophobicContact CG2-CB 3.88Å; T219-Q286 HydrophobicContact CG2-CG 3.81Å
220	S	98.9	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.143	C	C	.	.			trans	-75.6	163.5	161.4	61.7	0	0	0	0	111.4	T222 K225 W248	S220-T222 PolarHBondContact O-N 3.38Å; S220-K225 WeakPolarHBondContact OG-CG 3.17Å; S220-W248 VanDerWaalsContact CA-CZ3 3.43Å; S220-W248 VanDerWaalsContact CB-CE3 3.49Å
221	P	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.124	C	C	.	.			trans	-46	136.7	164.1	-27.2	28.9	0	0	0	111.9	T173 A175 W223 L224 Y251	T173-P221 WeakPolarHBondContact OG1-CG 3.33Å; A175-P221 HydrophobicContact CB-CG 4Å; A175-P221 WeakPolarHBondContact O-CB 3.33Å; P221-W223 HydrophobicContact CB-CD2 4.31Å; P221-W223 HydrophobicContact CB-CG 4.4Å; P221-W223 HydrophobicContact CB-CZ2 4.03Å; P221-W223 HydrophobicContact CG-CZ2 4.3Å; P221-W223 PolarHBondContact O-N 3.46Å; P221-W223 VanDerWaalsContact O-N 3.14Å; P221-L224 HydrophobicContact CG-CD1 4.35Å; P221-L224 WeakPolarHBondContact O-CB 3.09Å; P221-L224 PolarHBondContact O-N 3.4Å; P221-Y251 HydrophobicContact CG-CD2 4.16Å; P221-Y251 HydrophobicContact CG-CE2 3.83Å
222	T	98.8	Very high	98.8	Very high	43 Å²	43	18.4 Å²	18.4	26%	0.264	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-61.7	-29.7	-168.9	56.3	0	0	0	0	113.9	S220 L224 K225 G228 V230	S220-T222 PolarHBondContact O-N 3.38Å; T222-L224 PolarHBondContact O-N 2.67Å; T222-K225 WeakPolarHBondContact O-CB 3.48Å; T222-K225 PolarHBondContact O-N 3.44Å; T222-G228 WeakPolarHBondContact CB-O 3.34Å; T222-V230 HydrophobicContact CG2-CG1 3.56Å
223	W	98.8	Very high	98.8	Very high	15 Å²	15	22.9 Å²	22.9	6%	0.057	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-67	-19.9	176.2	53.6	-93	0	0	0	113.3	A175 T177 D180 F181 P221 K225 K237 T247	A175-W223 PolarHBondContact O-NE1 3.01Å; T177-W223 PolarHBondContact O-NE1 2.87Å; D180-W223 HydrophobicContact CB-CZ2 4.24Å; D180-W223 WeakPolarHBondContact O-CH2 3.22Å; F181-W223 AromaticContact CD1-CZ3 3.79Å; F181-W223 HydrophobicContact CD1-CZ3 3.79Å; F181-W223 HydrophobicContact CD2-CZ3 4.49Å; F181-W223 HydrophobicContact CE1-CE3 4.34Å; F181-W223 AromaticContact CE1-CZ3 3.85Å; F181-W223 HydrophobicContact CE1-CZ3 3.85Å; F181-W223 HydrophobicContact CG-CZ3 4.13Å; F181-W223 HydrophobicContact CZ-CE3 4.38Å; F181-W223 HydrophobicContact CZ-CZ3 4.23Å; P221-W223 HydrophobicContact CB-CD2 4.31Å; P221-W223 HydrophobicContact CB-CG 4.4Å; P221-W223 HydrophobicContact CB-CZ2 4.03Å; P221-W223 HydrophobicContact CG-CZ2 4.3Å; P221-W223 PolarHBondContact O-N 3.46Å; P221-W223 VanDerWaalsContact O-N 3.14Å; W223-K225 VanDerWaalsContact C-N 3.34Å; W223-K237 VanDerWaalsContact O-CE 3.27Å; W223-K237 WeakPolarHBondContact O-CE 3.38Å; W223-K237 PolarHBondContact O-NZ 2.8Å; W223-T247 HydrophobicContact CH2-CG2 3.78Å; W223-T247 HydrophobicContact CZ3-CG2 4.25Å
224	L	98.9	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-79.7	-11.9	169.4	-66.5	176.9	0	0	0	113.4	F181 P221 T222 L236 K237 Y244 T247 W248	F181-L224 HydrophobicContact CE1-CD2 4.23Å; P221-L224 HydrophobicContact CG-CD1 4.35Å; P221-L224 WeakPolarHBondContact O-CB 3.09Å; P221-L224 PolarHBondContact O-N 3.4Å; T222-L224 PolarHBondContact O-N 2.67Å; L224-L236 HydrophobicContact CB-CD2 4.06Å; L224-L236 WeakPolarHBondContact O-CA 3.41Å; L224-K237 WeakPolarHBondContact O-CG 3.48Å; L224-K237 PolarHBondContact O-N 2.75Å; L224-Y244 HydrophobicContact CD2-CD1 3.85Å; L224-T247 HydrophobicContact CD1-CG2 4.25Å; L224-T247 HydrophobicContact CD2-CG2 4.1Å; L224-W248 HydrophobicContact CD1-CB 4.4Å; L224-W248 HydrophobicContact CD1-CE3 4.36Å
225	K	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-100.3	144.3	-168.3	-59.4	-179.2	68.8	179.9	0	113.7	T219 S220 T222 W223 N227 G228 A229 V230 S235 K237 C287 L288	T219-K225 WeakPolarHBondContact OG1-CD 3.47Å; T219-K225 PolarHBondContact OG1-NZ 2.69Å; S220-K225 WeakPolarHBondContact OG-CG 3.17Å; T222-K225 WeakPolarHBondContact O-CB 3.48Å; T222-K225 PolarHBondContact O-N 3.44Å; W223-K225 VanDerWaalsContact C-N 3.34Å; K225-N227 PolarHBondContact O-N 2.89Å; K225-G228 PolarHBondContact O-N 2.83Å; K225-A229 WeakPolarHBondContact CD-O 3.33Å; K225-A229 WeakPolarHBondContact CE-O 3.48Å; K225-A229 PolarHBondContact NZ-O 2.93Å; K225-V230 PolarHBondContact NZ-O 3.38Å; K225-S235 CarbonylContact C-O 3.42Å; K225-S235 VanDerWaalsContact CA-O 3.24Å; K225-S235 WeakPolarHBondContact CA-O 3.45Å; K225-K237 WeakPolarHBondContact O-CE 3.29Å; K225-C287 PolarHBondContact NZ-O 3.42Å; K225-L288 HydrophobicContact CD-CD1 4.07Å; K225-L288 HydrophobicContact CG-CD1 3.89Å
226	T	98.8	Very high	98.7	Very high	83 Å²	83	24.5 Å²	24.5	51%	0.509	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.9	-180	44.8	0	0	0	0	114	S235 L236 K237	T226-S235 WeakPolarHBondContact CG2-OG 3.47Å; T226-S235 PolarHBondContact N-O 2.89Å; T226-S235 PolarHBondContact OG1-N 3.1Å; T226-S235 PolarHBondContact OG1-O 3.45Å; T226-S235 PolarHBondContact OG1-OG 2.91Å; T226-L236 WeakPolarHBondContact CG2-O 3.45Å; T226-K237 HydrophobicContact CG2-CG 4.19Å
227	N	98.7	Very high	98.7	Very high	57 Å²	57	27.5 Å²	27.5	31%	0.305	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-5.5	179.1	71	-17	0	0	0	114.6	K225 A229 N231 K233	K225-N227 PolarHBondContact O-N 2.89Å; N227-A229 PolarHBondContact O-N 3.01Å; N227-A229 PolarHBondContact OD1-N 2.94Å; N227-A229 PolarHBondContact OD1-O 2.93Å; N227-N231 PolarHBondContact ND2-O 3.35Å; N227-K233 WeakPolarHBondContact CB-O 3.24Å; N227-K233 PolarHBondContact ND2-O 3.29Å; N227-K233 VanDerWaalsContact ND2-O 3.16Å
228	G	98.6	Very high	98.7	Very high	49 Å²	49	30.3 Å²	30.3	51%	0.505	19%	0.194	S	C	.	.	S	Bend	trans	64	17.1	-178	0	0	0	0	0	115.6	T222 K225	T222-G228 WeakPolarHBondContact CB-O 3.34Å; K225-G228 PolarHBondContact O-N 2.83Å
229	A	98.6	Very high	98.7	Very high	32 Å²	32	36.6 Å²	36.6	26%	0.264	22%	0.223	S	C	.	.	S	Bend	trans	-133.4	152.2	-174.3	0	0	0	0	0	112.3	K225 N227 N231	K225-A229 WeakPolarHBondContact CD-O 3.33Å; K225-A229 WeakPolarHBondContact CE-O 3.48Å; K225-A229 PolarHBondContact NZ-O 2.93Å; N227-A229 PolarHBondContact O-N 3.01Å; N227-A229 PolarHBondContact OD1-N 2.94Å; N227-A229 PolarHBondContact OD1-O 2.93Å; A229-N231 VanDerWaalsContact C-N 3.32Å; A229-N231 PolarHBondContact O-N 2.96Å
230	V	98.7	Very high	98.7	Very high	22 Å²	22	37.1 Å²	37.1	13%	0.133	23%	0.227	C	C	.	.	S	Bend	trans	-68.7	-32.5	179.4	-64.4	0	0	0	0	112.4	T171 T219 T222 K225 Q286 C287	T171-V230 HydrophobicContact CG2-CG2 4.1Å; T219-V230 HydrophobicContact CG2-CB 4.27Å; T219-V230 HydrophobicContact CG2-CG1 4.39Å; T219-V230 PolarHBondContact OG1-O 3.02Å; T222-V230 HydrophobicContact CG2-CG1 3.56Å; K225-V230 PolarHBondContact NZ-O 3.38Å; V230-Q286 HydrophobicContact CB-CG 4.23Å; V230-Q286 WeakPolarHBondContact O-CA 3.38Å; V230-C287 PolarHBondContact O-N 3.45Å; V230-C287 VanDerWaalsContact O-N 3.16Å
231	N	98.5	Very high	98.7	Very high	55 Å²	55	39.3 Å²	39.3	29%	0.294	25%	0.249	S	C	.	.	S	Bend	trans	-113.6	-175.3	-179.1	65.4	-10.4	0	0	0	112	N227 A229 P284 F285	N227-N231 PolarHBondContact ND2-O 3.35Å; A229-N231 VanDerWaalsContact C-N 3.32Å; A229-N231 PolarHBondContact O-N 2.96Å; N231-P284 PolarHBondContact ND2-O 3.33Å; N231-F285 VanDerWaalsContact CA-O 3.25Å; N231-F285 WeakPolarHBondContact CA-O 3.5Å; N231-F285 VanDerWaalsContact CB-C 3.4Å; N231-F285 WeakPolarHBondContact CB-O 3.35Å
232	G	98.3	Very high	98.7	Very high	12 Å²	12	41.1 Å²	41.1	12%	0.124	26%	0.259	C	S	.	.	S	Bend	trans	70.2	179.1	-179.8	0	0	0	0	0	114.1	G234 Y283 C287	G232-G234 PolarHBondContact O-N 2.75Å; G232-G234 VanDerWaalsContact O-N 3.11Å; G232-Y283 WeakPolarHBondContact CA-O 3.11Å; G232-Y283 PolarHBondContact N-O 3.35Å; G232-C287 PolarHBondContact O-SG 3.09Å; G232-C287 VanDerWaalsContact O-SG 3.37Å
233	K	98.7	Very high	98.7	Very high	108 Å²	108	43.4 Å²	43.4	47%	0.47	27%	0.269	S	S	.	.	S	Bend	trans	-63.9	114.8	179.7	-177.3	173.1	-178.4	61.3	0	110.5	N227 G278 L279 L280	N227-K233 WeakPolarHBondContact CB-O 3.24Å; N227-K233 PolarHBondContact ND2-O 3.29Å; N227-K233 VanDerWaalsContact ND2-O 3.16Å; K233-G278 WeakPolarHBondContact CA-O 3.34Å; K233-L279 WeakPolarHBondContact CD-O 3.32Å; K233-L279 PolarHBondContact NZ-O 3.07Å; K233-L280 PolarHBondContact N-O 3.07Å
234	G	98.6	Very high	98.7	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.021	28%	0.278	C	S	.	.			trans	-171.5	130.3	-177.9	0	0	0	0	0	111.7	G232 G278 G289	G232-G234 PolarHBondContact O-N 2.75Å; G232-G234 VanDerWaalsContact O-N 3.11Å; G234-G278 PolarHBondContact N-O 2.65Å; G234-G289 PolarHBondContact O-N 3.46Å
235	S	98.8	Very high	98.7	Very high	31 Å²	31	45.7 Å²	45.7	22%	0.217	28%	0.278	C	S	.	.			trans	-108.8	178	175.2	64.1	0	0	0	0	109.9	K225 T226 G289	K225-S235 CarbonylContact C-O 3.42Å; K225-S235 VanDerWaalsContact CA-O 3.24Å; K225-S235 WeakPolarHBondContact CA-O 3.45Å; T226-S235 WeakPolarHBondContact CG2-OG 3.47Å; T226-S235 PolarHBondContact N-O 2.89Å; T226-S235 PolarHBondContact OG1-N 3.1Å; T226-S235 PolarHBondContact OG1-O 3.45Å; T226-S235 PolarHBondContact OG1-OG 2.91Å; S235-G289 WeakPolarHBondContact CA-O 3.33Å; S235-G289 WeakPolarHBondContact CB-O 3.29Å
236	L	98.8	Very high	98.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-58.3	146.2	160.2	-65.4	173.9	0	0	0	110.7	L224 T226 W248 L288 F290	L224-L236 HydrophobicContact CB-CD2 4.06Å; L224-L236 WeakPolarHBondContact O-CA 3.41Å; T226-L236 WeakPolarHBondContact CG2-O 3.45Å; L236-W248 HydrophobicContact CD1-CB 4.09Å; L236-W248 HydrophobicContact CD1-CG 4.12Å; L236-W248 HydrophobicContact CD2-CB 4.15Å; L236-W248 HydrophobicContact CD2-CG 4.11Å; L236-L288 HydrophobicContact CD2-CD1 4.23Å; L236-L288 HydrophobicContact CD2-CD2 3.98Å; L236-L288 HydrophobicContact CG-CD1 4.28Å; L236-L288 HydrophobicContact CG-CD2 4.07Å; L236-F290 HydrophobicContact CD1-CE1 4.06Å; L236-F290 HydrophobicContact CD1-CZ 3.94Å; L236-F290 HydrophobicContact CG-CZ 4.26Å
237	K	98.8	Very high	98.7	Very high	62 Å²	62	44.4 Å²	44.4	27%	0.27	27%	0.266	S	S	.	.	S	Bend	trans	-67.8	153.7	169.2	-71.7	172.4	179.1	173.3	0	110.7	W223 L224 K225 T226 Y244 H245	W223-K237 VanDerWaalsContact O-CE 3.27Å; W223-K237 WeakPolarHBondContact O-CE 3.38Å; W223-K237 PolarHBondContact O-NZ 2.8Å; L224-K237 WeakPolarHBondContact O-CG 3.48Å; L224-K237 PolarHBondContact O-N 2.75Å; K225-K237 WeakPolarHBondContact O-CE 3.29Å; T226-K237 HydrophobicContact CG2-CG 4.19Å; K237-Y244 HydrophobicContact CB-CD1 3.76Å; K237-Y244 HydrophobicContact CB-CD2 3.78Å; K237-Y244 HydrophobicContact CB-CE1 3.86Å; K237-Y244 HydrophobicContact CB-CE2 3.89Å; K237-Y244 HydrophobicContact CB-CG 3.73Å; K237-Y244 HydrophobicContact CD-CD1 4.03Å; K237-Y244 HydrophobicContact CD-CE1 3.5Å; K237-Y244 HydrophobicContact CG-CD1 4.48Å; K237-Y244 HydrophobicContact CG-CE1 4.33Å; K237-Y244 WeakPolarHBondContact O-CB 3.17Å; K237-H245 PolarHBondContact O-CE1 3.14Å; K237-H245 PolarHBondContact O-ND1 2.88Å
238	G	98.2	Very high	98.7	Very high	59 Å²	59	41.7 Å²	41.7	61%	0.608	25%	0.252	S	S	*	.	S	Bend	trans	72.9	-138.6	172.2	0	0	0	0	0	113.7	D242	G238-D242 WeakPolarHBondContact CA-OD2 3.42Å
239	Q	98.5	Very high	98.7	Very high	133 Å²	133	39.4 Å²	39.4	62%	0.621	23%	0.228	S	C	*	.			trans	-144.4	148	-174.2	61.3	-176.8	-26.7	0	0	113	G241 D242 H245	Q239-G241 PolarHBondContact O-N 3.47Å; Q239-D242 PolarHBondContact N-OD2 3.28Å; Q239-D242 WeakPolarHBondContact O-CB 3.3Å; Q239-D242 PolarHBondContact O-N 2.97Å; Q239-D242 VanDerWaalsContact O-N 3.09Å; Q239-H245 VanDerWaalsContact C-ND1 3.29Å; Q239-H245 PolarHBondContact N-CE1 2.9Å; Q239-H245 PolarHBondContact O-ND1 2.93Å
240	P	98.8	Very high	98.7	Very high	15 Å²	15	42 Å²	42	10%	0.097	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	133.7	178.6	-31.9	38.7	0	0	0	114.2	D297 R301 D302	P240-D297 HydrophobicContact CB-CB 3.76Å; P240-D297 HydrophobicContact CG-CB 3.74Å; P240-R301 VanDerWaalsContact O-CD 3.22Å; P240-R301 WeakPolarHBondContact O-CD 3.48Å; P240-R301 PolarHBondContact O-NH1 3.36Å; P240-D302 WeakPolarHBondContact CA-OD2 3.37Å; P240-D302 WeakPolarHBondContact CB-OD2 3.4Å
241	G	98.5	Very high	98.7	Very high	45 Å²	45	41 Å²	41	46%	0.464	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	-4.5	-167.5	0	0	0	0	0	115.1	Q239 D302	Q239-G241 PolarHBondContact O-N 3.47Å; G241-D302 WeakPolarHBondContact CA-OD1 3.4Å; G241-D302 VanDerWaalsContact N-CG 3.32Å; G241-D302 PolarHBondContact N-OD1 2.65Å; G241-D302 PolarHBondContact N-OD2 3.47Å
242	D	98.8	Very high	98.7	Very high	38 Å²	38	38.3 Å²	38.3	20%	0.203	21%	0.21	C	C	.	.	S	Bend	trans	-96.3	-178.9	-178.8	81.8	6.6	0	0	0	114.8	G238 Q239 Y244 H245 Q246	G238-D242 WeakPolarHBondContact CA-OD2 3.42Å; Q239-D242 PolarHBondContact N-OD2 3.28Å; Q239-D242 WeakPolarHBondContact O-CB 3.3Å; Q239-D242 PolarHBondContact O-N 2.97Å; Q239-D242 VanDerWaalsContact O-N 3.09Å; D242-Y244 VanDerWaalsContact C-N 3.31Å; D242-Y244 PolarHBondContact O-N 3.38Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.36Å; D242-Y244 PolarHBondContact OD1-N 3.17Å; D242-H245 PolarHBondContact O-N 2.92Å; D242-H245 IonicContact OD1-CE1 3.52Å; D242-H245 IonicContact OD1-CG 2.7Å; D242-H245 PolarHBondContact OD1-N 2.97Å; D242-H245 VanDerWaalsContact OD1-N 3.08Å; D242-H245 IonicContact OD1-ND1 3.57Å; D242-H245 PolarHBondContact OD1-ND1 2.86Å; D242-H245 IonicContact OD2-ND1 2.78Å; D242-Q246 VanDerWaalsContact O-CB 3.24Å; D242-Q246 WeakPolarHBondContact O-CB 3.37Å; D242-Q246 VanDerWaalsContact O-CG 3.22Å; D242-Q246 WeakPolarHBondContact O-CG 3.34Å; D242-Q246 PolarHBondContact O-N 3.24Å
243	I	98.8	Very high	98.8	Very high	92 Å²	92	38.8 Å²	38.8	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-36	-178.1	-163.6	175.8	0	0	0	113.2	F181 T247	F181-I243 HydrophobicContact CB-CD1 4.02Å; F181-I243 HydrophobicContact CB-CG1 4.36Å; F181-I243 HydrophobicContact CD1-CD1 3.74Å; F181-I243 HydrophobicContact CD1-CG1 3.66Å; F181-I243 HydrophobicContact CD1-CG2 4.4Å; F181-I243 HydrophobicContact CD2-CD1 4.31Å; F181-I243 HydrophobicContact CE1-CD1 4.27Å; F181-I243 HydrophobicContact CE1-CG1 4.22Å; F181-I243 HydrophobicContact CE1-CG2 4.09Å; F181-I243 HydrophobicContact CG-CD1 3.76Å; F181-I243 HydrophobicContact CG-CG1 4.15Å; I243-T247 WeakPolarHBondContact O-CB 3.27Å; I243-T247 PolarHBondContact O-N 3.34Å; I243-T247 PolarHBondContact O-OG1 2.95Å
244	Y	98.9	Very high	98.8	Very high	62 Å²	62	37.7 Å²	37.7	24%	0.243	21%	0.206	C	C	.	.	H	α-helix	trans	-70.2	-44.5	-178.9	-60.3	-78.8	0	0	0	110.7	F181 L224 K237 D242 T247 W248	F181-Y244 AromaticContact CE1-CD1 3.71Å; F181-Y244 HydrophobicContact CE1-CD1 3.71Å; F181-Y244 AromaticContact CE1-CE1 3.7Å; F181-Y244 HydrophobicContact CE1-CE1 3.7Å; F181-Y244 HydrophobicContact CE1-CG 4.49Å; F181-Y244 HydrophobicContact CZ-CD1 4.2Å; F181-Y244 AromaticContact CZ-CE1 3.71Å; F181-Y244 HydrophobicContact CZ-CE1 3.71Å; L224-Y244 HydrophobicContact CD2-CD1 3.85Å; K237-Y244 HydrophobicContact CB-CD1 3.76Å; K237-Y244 HydrophobicContact CB-CD2 3.78Å; K237-Y244 HydrophobicContact CB-CE1 3.86Å; K237-Y244 HydrophobicContact CB-CE2 3.89Å; K237-Y244 HydrophobicContact CB-CG 3.73Å; K237-Y244 HydrophobicContact CD-CD1 4.03Å; K237-Y244 HydrophobicContact CD-CE1 3.5Å; K237-Y244 HydrophobicContact CG-CD1 4.48Å; K237-Y244 HydrophobicContact CG-CE1 4.33Å; K237-Y244 WeakPolarHBondContact O-CB 3.17Å; D242-Y244 VanDerWaalsContact C-N 3.31Å; D242-Y244 PolarHBondContact O-N 3.38Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.36Å; D242-Y244 PolarHBondContact OD1-N 3.17Å; Y244-T247 PolarHBondContact O-N 2.96Å; Y244-W248 PolarHBondContact O-N 3.41Å
245	H	98.9	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.8	-41.9	-178.6	-64.7	74.7	0	0	0	112	K237 Q239 D242 T247 W248 A249 H294 F298 D302	K237-H245 PolarHBondContact O-CE1 3.14Å; K237-H245 PolarHBondContact O-ND1 2.88Å; Q239-H245 VanDerWaalsContact C-ND1 3.29Å; Q239-H245 PolarHBondContact N-CE1 2.9Å; Q239-H245 PolarHBondContact O-ND1 2.93Å; D242-H245 PolarHBondContact O-N 2.92Å; D242-H245 IonicContact OD1-CE1 3.52Å; D242-H245 IonicContact OD1-CG 2.7Å; D242-H245 PolarHBondContact OD1-N 2.97Å; D242-H245 VanDerWaalsContact OD1-N 3.08Å; D242-H245 IonicContact OD1-ND1 3.57Å; D242-H245 PolarHBondContact OD1-ND1 2.86Å; D242-H245 IonicContact OD2-ND1 2.78Å; H245-T247 VanDerWaalsContact C-N 3.34Å; H245-T247 PolarHBondContact O-N 3.43Å; H245-W248 PolarHBondContact O-N 2.95Å; H245-A249 PolarHBondContact O-N 2.94Å; H245-H294 AromaticContact CD2-NE2 3.72Å; H245-H294 AromaticContact CE1-NE2 4Å; H245-H294 AromaticContact NE2-CD2 3.89Å; H245-H294 AromaticContact NE2-CE1 3.81Å; H245-H294 AromaticContact NE2-NE2 2.9Å; H245-H294 PolarHBondContact NE2-NE2 3.04Å; H245-F298 HydrophobicContact CB-CD2 4.27Å; H245-D302 HydrophobicContact CB-CB 4.22Å; H245-D302 VanDerWaalsContact CB-CG 3.44Å; H245-D302 VanDerWaalsContact CB-OD2 3.29Å; H245-D302 WeakPolarHBondContact CB-OD2 3.23Å
246	Q	98.9	Very high	98.8	Very high	57 Å²	57	36.3 Å²	36.3	27%	0.266	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-38.7	172.8	-72.1	-71.2	-40.8	0	0	112	D242 A249 R250 R301 D302	D242-Q246 VanDerWaalsContact O-CB 3.24Å; D242-Q246 WeakPolarHBondContact O-CB 3.37Å; D242-Q246 VanDerWaalsContact O-CG 3.22Å; D242-Q246 WeakPolarHBondContact O-CG 3.34Å; D242-Q246 PolarHBondContact O-N 3.24Å; Q246-A249 PolarHBondContact O-N 2.91Å; Q246-R250 VanDerWaalsContact C-NH1 3.3Å; Q246-R250 WeakPolarHBondContact O-CG 3.46Å; Q246-R250 PolarHBondContact O-N 3.04Å; Q246-R250 PolarHBondContact O-NH1 3.25Å; Q246-R301 PolarHBondContact NE2-O 3.06Å; Q246-R301 VanDerWaalsContact NE2-O 3.17Å; Q246-D302 WeakPolarHBondContact CG-OD1 3.36Å; Q246-D302 PolarHBondContact NE2-OD1 2.87Å
247	T	98.9	Very high	98.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-40.7	173.8	-67.7	0	0	0	0	111.5	F181 L183 W223 L224 I243 Y244 H245 R250 Y251	F181-T247 PolarHBondContact O-OG1 2.79Å; L183-T247 HydrophobicContact CD1-CG2 4.42Å; L183-T247 HydrophobicContact CD2-CG2 4.02Å; L183-T247 HydrophobicContact CG-CG2 4.17Å; W223-T247 HydrophobicContact CH2-CG2 3.78Å; W223-T247 HydrophobicContact CZ3-CG2 4.25Å; L224-T247 HydrophobicContact CD1-CG2 4.25Å; L224-T247 HydrophobicContact CD2-CG2 4.1Å; I243-T247 WeakPolarHBondContact O-CB 3.27Å; I243-T247 PolarHBondContact O-N 3.34Å; I243-T247 PolarHBondContact O-OG1 2.95Å; Y244-T247 PolarHBondContact O-N 2.96Å; H245-T247 VanDerWaalsContact C-N 3.34Å; H245-T247 PolarHBondContact O-N 3.43Å; T247-R250 PolarHBondContact O-N 3.49Å; T247-R250 PolarHBondContact OG1-NH2 2.89Å; T247-Y251 PolarHBondContact O-N 2.95Å
248	W	98.9	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-43.6	173.5	-171.5	-131.9	0	0	0	112.1	P217 T219 S220 L224 L236 Y244 H245 R250 Y251 F252 L288 F298	P217-W248 HydrophobicContact CB-CH2 3.72Å; P217-W248 HydrophobicContact CB-CZ2 3.63Å; P217-W248 HydrophobicContact CG-CH2 4.29Å; P217-W248 HydrophobicContact CG-CZ2 3.74Å; T219-W248 WeakPolarHBondContact O-CH2 3.41Å; S220-W248 VanDerWaalsContact CA-CZ3 3.43Å; S220-W248 VanDerWaalsContact CB-CE3 3.49Å; L224-W248 HydrophobicContact CD1-CB 4.4Å; L224-W248 HydrophobicContact CD1-CE3 4.36Å; L236-W248 HydrophobicContact CD1-CB 4.09Å; L236-W248 HydrophobicContact CD1-CG 4.12Å; L236-W248 HydrophobicContact CD2-CB 4.15Å; L236-W248 HydrophobicContact CD2-CG 4.11Å; Y244-W248 PolarHBondContact O-N 3.41Å; H245-W248 PolarHBondContact O-N 2.95Å; W248-R250 VanDerWaalsContact C-N 3.33Å; W248-R250 PolarHBondContact O-N 2.89Å; W248-Y251 AromaticContact CE3-CD1 3.9Å; W248-Y251 HydrophobicContact CE3-CD1 3.9Å; W248-Y251 HydrophobicContact CE3-CD2 4.37Å; W248-Y251 AromaticContact CE3-CG 3.81Å; W248-Y251 HydrophobicContact CE3-CG 3.81Å; W248-Y251 AromaticContact CH2-CD1 3.94Å; W248-Y251 HydrophobicContact CH2-CD1 3.94Å; W248-Y251 AromaticContact CH2-CE1 3.91Å; W248-Y251 HydrophobicContact CH2-CE1 3.91Å; W248-Y251 AromaticContact CZ3-CD1 3.27Å; W248-Y251 HydrophobicContact CZ3-CD1 3.27Å; W248-Y251 HydrophobicContact CZ3-CD2 4.03Å; W248-Y251 AromaticContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE1 3.5Å; W248-Y251 VanDerWaalsContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE2 4.21Å; W248-Y251 AromaticContact CZ3-CG 3.56Å; W248-Y251 HydrophobicContact CZ3-CG 3.56Å; W248-Y251 AromaticContact CZ3-CZ 3.95Å; W248-Y251 VanDerWaalsContact O-CB 3.27Å; W248-Y251 WeakPolarHBondContact O-CB 3.4Å; W248-Y251 PolarHBondContact O-N 3.27Å; W248-F252 HydrophobicContact CD2-CE2 4.29Å; W248-F252 AromaticContact CE2-CE2 3.77Å; W248-F252 HydrophobicContact CZ2-CE2 4.1Å; W248-F252 AromaticContact NE1-CE2 3.69Å; W248-F252 WeakPolarHBondContact O-CD2 3.27Å; W248-F252 PolarHBondContact O-N 3.28Å; W248-L288 HydrophobicContact CZ2-CD2 4.13Å; W248-F298 HydrophobicContact CB-CE2 4.45Å; W248-F298 AromaticContact CD1-CE1 3.89Å; W248-F298 AromaticContact CD1-CE2 3.83Å; W248-F298 AromaticContact CD1-CZ 3.29Å; W248-F298 HydrophobicContact CG-CZ 4.18Å; W248-F298 AromaticContact NE1-CZ 3.99Å
249	A	98.9	Very high	98.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-39.2	174.4	0	0	0	0	0	112.9	H245 Q246 Y251 F252 F298 D302 T306	H245-A249 PolarHBondContact O-N 2.94Å; Q246-A249 PolarHBondContact O-N 2.91Å; A249-Y251 VanDerWaalsContact C-N 3.32Å; A249-Y251 PolarHBondContact O-N 3.18Å; A249-F252 PolarHBondContact O-N 3.23Å; A249-F298 HydrophobicContact CB-CE2 4.31Å; A249-D302 HydrophobicContact CB-CB 4Å; A249-T306 HydrophobicContact CB-CG2 4.03Å; A249-T306 WeakPolarHBondContact CB-OG1 3.47Å
250	R	98.9	Very high	98.9	Very high	87 Å²	87	29.6 Å²	29.6	33%	0.328	16%	0.161	S	C	.	.	H	α-helix	trans	-68	-28	172.9	-71.9	-167.2	-53.3	-75	-0.2	113.3	F181 L183 Q246 T247 W248 F252 V253 K254 T306	F181-R250 PolarHBondContact O-NH2 3.07Å; L183-R250 HydrophobicContact CD1-CB 3.86Å; Q246-R250 VanDerWaalsContact C-NH1 3.3Å; Q246-R250 WeakPolarHBondContact O-CG 3.46Å; Q246-R250 PolarHBondContact O-N 3.04Å; Q246-R250 PolarHBondContact O-NH1 3.25Å; T247-R250 PolarHBondContact O-N 3.49Å; T247-R250 PolarHBondContact OG1-NH2 2.89Å; W248-R250 VanDerWaalsContact C-N 3.33Å; W248-R250 PolarHBondContact O-N 2.89Å; R250-F252 VanDerWaalsContact C-N 3.32Å; R250-F252 PolarHBondContact O-N 2.87Å; R250-V253 PolarHBondContact O-N 3.11Å; R250-K254 WeakPolarHBondContact O-CG 3.28Å; R250-K254 PolarHBondContact O-N 2.79Å; R250-T306 HydrophobicContact CG-CG2 4.21Å
251	Y	98.9	Very high	98.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-37.3	174.8	-177.5	-76.8	0	0	0	111.6	M162 Y174 A175 L183 F186 P221 T247 W248 A249 K254 F255	M162-Y251 HydrophobicContact CE-CD1 4.13Å; M162-Y251 HydrophobicContact CE-CE1 4.16Å; Y174-Y251 WeakPolarHBondContact CB-OH 3.5Å; Y174-Y251 AromaticContact CD2-CE1 3.73Å; Y174-Y251 HydrophobicContact CD2-CE1 3.73Å; Y174-Y251 HydrophobicContact CD2-CE2 4.35Å; Y174-Y251 AromaticContact CD2-CZ 3.5Å; Y174-Y251 VanDerWaalsContact CD2-CZ 3.5Å; Y174-Y251 WeakPolarHBondContact CD2-OH 3.48Å; Y174-Y251 HydrophobicContact CE2-CE1 4.42Å; Y174-Y251 AromaticContact CG-CZ 3.98Å; Y174-Y251 PolarHBondContact N-OH 2.56Å; A175-Y251 HydrophobicContact CB-CD2 4.25Å; A175-Y251 HydrophobicContact CB-CE2 4.06Å; L183-Y251 HydrophobicContact CD2-CD2 4.37Å; F186-Y251 AromaticContact CD2-CD2 3.84Å; F186-Y251 HydrophobicContact CD2-CD2 3.84Å; F186-Y251 HydrophobicContact CD2-CE2 4.08Å; F186-Y251 HydrophobicContact CD2-CG 4.39Å; F186-Y251 HydrophobicContact CE2-CD1 4.2Å; F186-Y251 AromaticContact CE2-CD2 3.67Å; F186-Y251 HydrophobicContact CE2-CD2 3.67Å; F186-Y251 HydrophobicContact CE2-CE1 4.29Å; F186-Y251 AromaticContact CE2-CE2 3.78Å; F186-Y251 HydrophobicContact CE2-CE2 3.78Å; F186-Y251 AromaticContact CE2-CG 3.91Å; F186-Y251 HydrophobicContact CE2-CG 3.91Å; P221-Y251 HydrophobicContact CG-CD2 4.16Å; P221-Y251 HydrophobicContact CG-CE2 3.83Å; T247-Y251 PolarHBondContact O-N 2.95Å; W248-Y251 AromaticContact CE3-CD1 3.9Å; W248-Y251 HydrophobicContact CE3-CD1 3.9Å; W248-Y251 HydrophobicContact CE3-CD2 4.37Å; W248-Y251 AromaticContact CE3-CG 3.81Å; W248-Y251 HydrophobicContact CE3-CG 3.81Å; W248-Y251 AromaticContact CH2-CD1 3.94Å; W248-Y251 HydrophobicContact CH2-CD1 3.94Å; W248-Y251 AromaticContact CH2-CE1 3.91Å; W248-Y251 HydrophobicContact CH2-CE1 3.91Å; W248-Y251 AromaticContact CZ3-CD1 3.27Å; W248-Y251 HydrophobicContact CZ3-CD1 3.27Å; W248-Y251 HydrophobicContact CZ3-CD2 4.03Å; W248-Y251 AromaticContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE1 3.5Å; W248-Y251 VanDerWaalsContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE2 4.21Å; W248-Y251 AromaticContact CZ3-CG 3.56Å; W248-Y251 HydrophobicContact CZ3-CG 3.56Å; W248-Y251 AromaticContact CZ3-CZ 3.95Å; W248-Y251 VanDerWaalsContact O-CB 3.27Å; W248-Y251 WeakPolarHBondContact O-CB 3.4Å; W248-Y251 PolarHBondContact O-N 3.27Å; A249-Y251 VanDerWaalsContact C-N 3.32Å; A249-Y251 PolarHBondContact O-N 3.18Å; Y251-K254 PolarHBondContact O-N 3.45Å; Y251-F255 WeakPolarHBondContact O-CB 3.14Å; Y251-F255 PolarHBondContact O-N 3.37Å
252	F	98.9	Very high	98.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-47.2	170.6	-77.8	-102.9	0	0	0	111.6	M162 P217 W248 A249 R250 F255 L256 V269 T270 F298 L303	M162-F252 HydrophobicContact CE-CB 4.49Å; M162-F252 HydrophobicContact CE-CD1 3.69Å; M162-F252 HydrophobicContact CE-CD2 4.4Å; M162-F252 HydrophobicContact CE-CE1 4Å; M162-F252 HydrophobicContact CE-CG 3.93Å; M162-F252 HydrophobicContact CE-CZ 4.49Å; M162-F252 HydrophobicContact SD-CD1 4.01Å; M162-F252 HydrophobicContact SD-CE1 4Å; P217-F252 HydrophobicContact CG-CE1 4.05Å; P217-F252 HydrophobicContact CG-CE2 4.36Å; P217-F252 HydrophobicContact CG-CZ 3.59Å; W248-F252 HydrophobicContact CD2-CE2 4.29Å; W248-F252 AromaticContact CE2-CE2 3.77Å; W248-F252 HydrophobicContact CZ2-CE2 4.1Å; W248-F252 AromaticContact NE1-CE2 3.69Å; W248-F252 WeakPolarHBondContact O-CD2 3.27Å; W248-F252 PolarHBondContact O-N 3.28Å; A249-F252 PolarHBondContact O-N 3.23Å; R250-F252 VanDerWaalsContact C-N 3.32Å; R250-F252 PolarHBondContact O-N 2.87Å; F252-F255 WeakPolarHBondContact O-CB 3.46Å; F252-F255 PolarHBondContact O-N 3.25Å; F252-L256 VanDerWaalsContact O-CG 3.3Å; F252-L256 WeakPolarHBondContact O-CG 3.25Å; F252-L256 PolarHBondContact O-N 2.86Å; F252-V269 HydrophobicContact CD1-CB 4.32Å; F252-V269 HydrophobicContact CD1-CG2 4.18Å; F252-V269 HydrophobicContact CE1-CB 4.36Å; F252-V269 HydrophobicContact CE1-CG2 4.35Å; F252-T270 WeakPolarHBondContact CE1-O 3.39Å; F252-F298 HydrophobicContact CE2-CZ 4.33Å; F252-L303 HydrophobicContact CB-CD1 3.97Å; F252-L303 HydrophobicContact CD1-CD1 4.07Å; F252-L303 HydrophobicContact CD2-CD1 3.62Å; F252-L303 HydrophobicContact CE1-CD1 4.43Å; F252-L303 HydrophobicContact CE1-CD2 4.4Å; F252-L303 HydrophobicContact CE2-CD1 4.02Å; F252-L303 HydrophobicContact CE2-CD2 4.37Å; F252-L303 HydrophobicContact CG-CD1 3.63Å; F252-L303 HydrophobicContact CZ-CD1 4.39Å; F252-L303 HydrophobicContact CZ-CD2 4.17Å
253	V	98.9	Very high	98.9	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-45.5	178.5	175.6	0	0	0	0	111.1	R250 F255 L256 D257 T306 L307	R250-V253 PolarHBondContact O-N 3.11Å; V253-F255 VanDerWaalsContact C-N 3.31Å; V253-F255 PolarHBondContact O-N 2.92Å; V253-L256 PolarHBondContact O-N 3.37Å; V253-L256 VanDerWaalsContact O-N 3.11Å; V253-D257 VanDerWaalsContact O-CG 3.28Å; V253-D257 PolarHBondContact O-N 3.2Å; V253-T306 HydrophobicContact CG2-CG2 3.82Å; V253-L307 HydrophobicContact CG2-CD2 4.24Å
254	K	98.9	Very high	98.9	Very high	85 Å²	85	40.3 Å²	40.3	37%	0.37	19%	0.192	S	C	.	.	H	α-helix	trans	-58.5	-38.3	175.3	-76.5	-67.6	-163.4	172.7	0	113.4	L183 F186 R250 Y251 A258	L183-K254 HydrophobicContact CB-CG 4.27Å; L183-K254 HydrophobicContact CD1-CG 3.99Å; F186-K254 HydrophobicContact CD1-CB 3.81Å; F186-K254 HydrophobicContact CD2-CB 3.66Å; F186-K254 HydrophobicContact CD2-CG 4.31Å; F186-K254 HydrophobicContact CE1-CB 3.82Å; F186-K254 WeakPolarHBondContact CE1-O 3.41Å; F186-K254 HydrophobicContact CE2-CB 3.64Å; F186-K254 HydrophobicContact CG-CB 3.76Å; F186-K254 HydrophobicContact CG-CG 4.23Å; F186-K254 HydrophobicContact CZ-CB 3.75Å; R250-K254 WeakPolarHBondContact O-CG 3.28Å; R250-K254 PolarHBondContact O-N 2.79Å; Y251-K254 PolarHBondContact O-N 3.45Å; K254-A258 WeakPolarHBondContact O-CB 3.2Å; K254-A258 PolarHBondContact O-N 2.9Å
255	F	98.9	Very high	98.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-45.4	173.5	163.6	-98.5	0	0	0	112	M162 Y174 F186 A215 Y251 F252 V253 A258 Y259 F266	M162-F255 HydrophobicContact CB-CE2 4.44Å; M162-F255 HydrophobicContact CE-CB 4.11Å; M162-F255 HydrophobicContact CE-CD1 4.02Å; M162-F255 HydrophobicContact CE-CG 4.06Å; M162-F255 HydrophobicContact CG-CD1 3.88Å; M162-F255 HydrophobicContact CG-CD2 4.02Å; M162-F255 HydrophobicContact CG-CE1 3.72Å; M162-F255 HydrophobicContact CG-CE2 3.8Å; M162-F255 HydrophobicContact CG-CG 4.02Å; M162-F255 HydrophobicContact CG-CZ 3.64Å; M162-F255 HydrophobicContact SD-CD1 4.01Å; M162-F255 HydrophobicContact SD-CE1 4.14Å; M162-F255 HydrophobicContact SD-CG 4.46Å; Y174-F255 HydrophobicContact CD2-CD2 4.27Å; Y174-F255 HydrophobicContact CE2-CB 4.42Å; Y174-F255 AromaticContact CE2-CD2 3.4Å; Y174-F255 HydrophobicContact CE2-CD2 3.4Å; Y174-F255 HydrophobicContact CE2-CE2 4.04Å; Y174-F255 HydrophobicContact CE2-CG 4.26Å; Y174-F255 AromaticContact CZ-CD2 3.94Å; F186-F255 HydrophobicContact CZ-CB 3.98Å; F186-F255 VanDerWaalsContact CZ-N 3.35Å; A215-F255 HydrophobicContact CB-CD1 4.41Å; A215-F255 HydrophobicContact CB-CE1 3.36Å; A215-F255 HydrophobicContact CB-CZ 3.7Å; Y251-F255 WeakPolarHBondContact O-CB 3.14Å; Y251-F255 PolarHBondContact O-N 3.37Å; F252-F255 WeakPolarHBondContact O-CB 3.46Å; F252-F255 PolarHBondContact O-N 3.25Å; V253-F255 VanDerWaalsContact C-N 3.31Å; V253-F255 PolarHBondContact O-N 2.92Å; F255-A258 PolarHBondContact O-N 2.98Å; F255-Y259 AromaticContact CD2-CD2 3.85Å; F255-Y259 HydrophobicContact CD2-CD2 3.85Å; F255-Y259 AromaticContact CD2-CE2 3.92Å; F255-Y259 HydrophobicContact CD2-CE2 3.92Å; F255-Y259 AromaticContact CE2-CD2 3.49Å; F255-Y259 HydrophobicContact CE2-CD2 3.49Å; F255-Y259 VanDerWaalsContact CE2-CD2 3.49Å; F255-Y259 AromaticContact CE2-CE2 3.3Å; F255-Y259 HydrophobicContact CE2-CE2 3.3Å; F255-Y259 HydrophobicContact CE2-CG 4.26Å; F255-Y259 AromaticContact CE2-CZ 3.92Å; F255-Y259 HydrophobicContact CZ-CD2 4.03Å; F255-Y259 HydrophobicContact CZ-CE2 4.04Å; F255-Y259 HydrophobicContact CZ-CG 4.36Å; F255-Y259 PolarHBondContact O-N 3.25Å; F255-F266 HydrophobicContact CE1-CD2 4.13Å; F255-F266 HydrophobicContact CE1-CE1 4.21Å; F255-F266 AromaticContact CE1-CE2 3.57Å; F255-F266 HydrophobicContact CE1-CE2 3.57Å; F255-F266 AromaticContact CE1-CZ 3.65Å; F255-F266 HydrophobicContact CE1-CZ 3.65Å; F255-F266 HydrophobicContact CZ-CE1 4.14Å; F255-F266 AromaticContact CZ-CE2 3.66Å; F255-F266 HydrophobicContact CZ-CE2 3.66Å; F255-F266 AromaticContact CZ-CZ 3.39Å; F255-F266 HydrophobicContact CZ-CZ 3.39Å
256	L	98.9	Very high	98.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-39.7	178	-65.5	170.4	0	0	0	111.6	F252 V253 A260 F266 V269 L307 H312 V315	F252-L256 VanDerWaalsContact O-CG 3.3Å; F252-L256 WeakPolarHBondContact O-CG 3.25Å; F252-L256 PolarHBondContact O-N 2.86Å; V253-L256 PolarHBondContact O-N 3.37Å; V253-L256 VanDerWaalsContact O-N 3.11Å; L256-A260 VanDerWaalsContact O-CB 3.23Å; L256-A260 WeakPolarHBondContact O-CB 3.48Å; L256-A260 PolarHBondContact O-N 2.63Å; L256-F266 HydrophobicContact CD2-CB 3.84Å; L256-F266 HydrophobicContact CD2-CD2 3.49Å; L256-F266 VanDerWaalsContact CD2-CD2 3.49Å; L256-F266 HydrophobicContact CD2-CE2 4.33Å; L256-F266 HydrophobicContact CD2-CG 3.83Å; L256-V269 HydrophobicContact CD2-CG1 4.21Å; L256-L307 HydrophobicContact CD1-CD2 3.75Å; L256-H312 HydrophobicContact CB-CB 4.33Å; L256-H312 HydrophobicContact CD1-CB 3.81Å; L256-H312 PolarHBondContact O-CE1 3.1Å; L256-V315 HydrophobicContact CD1-CG1 4.5Å; L256-V315 HydrophobicContact CD1-CG2 4.32Å; L256-V315 HydrophobicContact CD2-CG2 4.41Å
257	D	98.8	Very high	98.9	Very high	54 Å²	54	44.3 Å²	44.3	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-57.8	-53.6	172.1	-70.6	-29.1	0	0	0	110.9	V253 Y259 A260 E261 H312	V253-D257 VanDerWaalsContact O-CG 3.28Å; V253-D257 PolarHBondContact O-N 3.2Å; D257-Y259 PolarHBondContact O-N 2.93Å; D257-A260 CarbonylContact O-C 3.5Å; D257-A260 WeakPolarHBondContact O-CA 3.49Å; D257-A260 WeakPolarHBondContact O-CB 3.03Å; D257-A260 PolarHBondContact O-N 3.4Å; D257-E261 PolarHBondContact O-N 3.24Å; D257-H312 PolarHBondContact N-NE2 3.48Å; D257-H312 IonicContact OD1-CD2 3.86Å; D257-H312 IonicContact OD1-CE1 3.46Å; D257-H312 IonicContact OD1-NE2 3.79Å; D257-H312 PolarHBondContact OD1-NE2 2.86Å
258	A	98.9	Very high	98.9	Very high	14 Å²	14	44.3 Å²	44.3	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-38.2	-176.9	0	0	0	0	0	112.8	F186 L188 K254 F255 A260 E261 H262	F186-A258 HydrophobicContact CE1-CB 4.2Å; L188-A258 HydrophobicContact CD1-CB 3.64Å; L188-A258 HydrophobicContact CD2-CB 4.32Å; L188-A258 HydrophobicContact CG-CB 3.78Å; K254-A258 WeakPolarHBondContact O-CB 3.2Å; K254-A258 PolarHBondContact O-N 2.9Å; F255-A258 PolarHBondContact O-N 2.98Å; A258-A260 VanDerWaalsContact C-N 3.34Å; A258-E261 PolarHBondContact O-N 3.15Å; A258-H262 PolarHBondContact O-CD2 3.11Å; A258-H262 PolarHBondContact O-N 3.16Å
259	Y	98.8	Very high	98.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-31.9	172.3	-93.5	-113.9	0	0	0	112.4	V160 L188 D192 I197 I200 F255 D257 H262 K263 L264 F266	V160-Y259 HydrophobicContact CG1-CE1 4.05Å; L188-Y259 HydrophobicContact CD1-CD2 3.76Å; L188-Y259 HydrophobicContact CD1-CE2 3.83Å; L188-Y259 HydrophobicContact CD2-CD2 4.29Å; L188-Y259 HydrophobicContact CD2-CE2 4Å; D192-Y259 PolarHBondContact OD1-OH 2.91Å; I197-Y259 HydrophobicContact CD1-CD1 4.43Å; I197-Y259 HydrophobicContact CD1-CD2 4.34Å; I197-Y259 HydrophobicContact CD1-CE1 4.16Å; I197-Y259 HydrophobicContact CD1-CE2 4.04Å; I197-Y259 HydrophobicContact CG1-CD1 4.28Å; I197-Y259 HydrophobicContact CG1-CE1 3.72Å; I197-Y259 HydrophobicContact CG1-CE2 4.4Å; I200-Y259 HydrophobicContact CD1-CE1 4.38Å; F255-Y259 AromaticContact CD2-CD2 3.85Å; F255-Y259 HydrophobicContact CD2-CD2 3.85Å; F255-Y259 AromaticContact CD2-CE2 3.92Å; F255-Y259 HydrophobicContact CD2-CE2 3.92Å; F255-Y259 AromaticContact CE2-CD2 3.49Å; F255-Y259 HydrophobicContact CE2-CD2 3.49Å; F255-Y259 VanDerWaalsContact CE2-CD2 3.49Å; F255-Y259 AromaticContact CE2-CE2 3.3Å; F255-Y259 HydrophobicContact CE2-CE2 3.3Å; F255-Y259 HydrophobicContact CE2-CG 4.26Å; F255-Y259 AromaticContact CE2-CZ 3.92Å; F255-Y259 HydrophobicContact CZ-CD2 4.03Å; F255-Y259 HydrophobicContact CZ-CE2 4.04Å; F255-Y259 HydrophobicContact CZ-CG 4.36Å; F255-Y259 PolarHBondContact O-N 3.25Å; D257-Y259 PolarHBondContact O-N 2.93Å; Y259-H262 CarbonylContact O-C 3.53Å; Y259-H262 VanDerWaalsContact O-C 3.3Å; Y259-H262 WeakPolarHBondContact O-CA 3.33Å; Y259-H262 WeakPolarHBondContact O-CB 3.49Å; Y259-H262 PolarHBondContact O-N 3.41Å; Y259-K263 PolarHBondContact O-N 3.24Å; Y259-L264 CarbonylContact C-O 3.46Å; Y259-L264 HydrophobicContact CD1-CB 4.06Å; Y259-L264 HydrophobicContact CD1-CD1 3.75Å; Y259-L264 HydrophobicContact CE1-CD1 4.02Å; Y259-L264 PolarHBondContact O-N 3.25Å; Y259-F266 AromaticContact CD1-CE2 3.55Å; Y259-F266 HydrophobicContact CD1-CE2 3.55Å; Y259-F266 AromaticContact CD1-CZ 3.67Å; Y259-F266 HydrophobicContact CD1-CZ 3.67Å; Y259-F266 HydrophobicContact CE1-CE2 4.33Å; Y259-F266 HydrophobicContact CE1-CZ 4.01Å; Y259-F266 AromaticContact CG-CE2 3.7Å; Y259-F266 HydrophobicContact CG-CE2 3.7Å; Y259-F266 HydrophobicContact CG-CZ 4.18Å
260	A	98.8	Very high	98.9	Very high	47 Å²	47	44.3 Å²	44.3	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-70.4	-34.3	174.8	0	0	0	0	0	113	L256 D257 A258 H262 K263 L264	L256-A260 VanDerWaalsContact O-CB 3.23Å; L256-A260 WeakPolarHBondContact O-CB 3.48Å; L256-A260 PolarHBondContact O-N 2.63Å; D257-A260 CarbonylContact O-C 3.5Å; D257-A260 WeakPolarHBondContact O-CA 3.49Å; D257-A260 WeakPolarHBondContact O-CB 3.03Å; D257-A260 PolarHBondContact O-N 3.4Å; A258-A260 VanDerWaalsContact C-N 3.34Å; A260-H262 PolarHBondContact O-N 3.27Å; A260-K263 WeakPolarHBondContact O-CA 3.34Å; A260-K263 PolarHBondContact O-N 2.85Å; A260-L264 WeakPolarHBondContact CA-O 3.37Å; A260-L264 PolarHBondContact N-O 3.06Å
261	E	98.7	Very high	98.9	Very high	157 Å²	157	40.2 Å²	40.2	73%	0.734	20%	0.195	S	C	*	.	H	α-helix	trans	-58.2	-38.6	167.9	-70.6	177.7	-170	0	0	111.2	D257 A258 K263	D257-E261 PolarHBondContact O-N 3.24Å; A258-E261 PolarHBondContact O-N 3.15Å; E261-K263 PolarHBondContact O-N 3.05Å
262	H	98.7	Very high	98.9	Very high	71 Å²	71	40.2 Å²	40.2	33%	0.329	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	11.9	170.6	-78.7	-88.2	0	0	0	114.4	I197 H201 A258 Y259 A260 L264	I197-H262 HydrophobicContact CD1-CB 4.04Å; I197-H262 HydrophobicContact CG2-CB 3.88Å; H201-H262 PolarHBondContact CE1-O 3.22Å; H201-H262 PolarHBondContact NE2-O 3.32Å; A258-H262 PolarHBondContact O-CD2 3.11Å; A258-H262 PolarHBondContact O-N 3.16Å; Y259-H262 CarbonylContact O-C 3.53Å; Y259-H262 VanDerWaalsContact O-C 3.3Å; Y259-H262 WeakPolarHBondContact O-CA 3.33Å; Y259-H262 WeakPolarHBondContact O-CB 3.49Å; Y259-H262 PolarHBondContact O-N 3.41Å; A260-H262 PolarHBondContact O-N 3.27Å; H262-L264 VanDerWaalsContact C-N 3.3Å; H262-L264 PolarHBondContact O-N 2.85Å
263	K	98.7	Very high	98.8	Very high	183 Å²	183	40.4 Å²	40.4	80%	0.796	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	31.7	178.2	-52.6	179.8	-177.2	177.6	0	114.7	Y259 A260 E261	Y259-K263 PolarHBondContact O-N 3.24Å; A260-K263 WeakPolarHBondContact O-CA 3.34Å; A260-K263 PolarHBondContact O-N 2.85Å; E261-K263 PolarHBondContact O-N 3.05Å
264	L	98.8	Very high	98.8	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	19%	0.194	C	C	.	.			trans	-110	135.2	171.5	-64.8	178.9	0	0	0	110	I197 I200 H201 L204 L213 Y259 A260 H262	I197-L264 HydrophobicContact CB-CD1 4.3Å; I197-L264 HydrophobicContact CG1-CD1 4.04Å; I197-L264 HydrophobicContact CG2-CD1 3.99Å; I200-L264 HydrophobicContact CB-CD1 4.16Å; I200-L264 HydrophobicContact CD1-CD1 4.4Å; I200-L264 HydrophobicContact CG2-CD1 3.83Å; I200-L264 HydrophobicContact CG2-CD2 3.74Å; I200-L264 HydrophobicContact CG2-CG 4.44Å; H201-L264 VanDerWaalsContact CE1-CD2 3.45Å; H201-L264 WeakPolarHBondContact CE1-CD2 3.36Å; L204-L264 HydrophobicContact CD2-CD2 4.13Å; L213-L264 HydrophobicContact CD1-CB 3.95Å; L213-L264 HydrophobicContact CD1-CD1 4.47Å; L213-L264 HydrophobicContact CD1-CD2 4.29Å; L213-L264 HydrophobicContact CD1-CG 4.47Å; Y259-L264 CarbonylContact C-O 3.46Å; Y259-L264 HydrophobicContact CD1-CB 4.06Å; Y259-L264 HydrophobicContact CD1-CD1 3.75Å; Y259-L264 HydrophobicContact CE1-CD1 4.02Å; Y259-L264 PolarHBondContact O-N 3.25Å; A260-L264 WeakPolarHBondContact CA-O 3.37Å; A260-L264 PolarHBondContact N-O 3.06Å; H262-L264 VanDerWaalsContact C-N 3.3Å; H262-L264 PolarHBondContact O-N 2.85Å
265	Q	98.7	Very high	98.8	Very high	153 Å²	153	36.2 Å²	36.2	72%	0.715	18%	0.177	S	C	*	.			trans	-119	134.2	179.4	-172.8	178.3	3.9	0	0	110
266	F	98.9	Very high	98.8	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.3	176	-74.5	-89.4	0	0	0	112	V160 L213 A215 F255 L256 Y259 V315	V160-F266 HydrophobicContact CB-CE1 4.07Å; V160-F266 HydrophobicContact CB-CZ 4.26Å; V160-F266 HydrophobicContact CG1-CZ 4.48Å; V160-F266 HydrophobicContact CG2-CE1 4.08Å; V160-F266 HydrophobicContact CG2-CZ 4.35Å; L213-F266 HydrophobicContact CB-CD1 3.5Å; L213-F266 HydrophobicContact CB-CE1 3.6Å; L213-F266 HydrophobicContact CB-CG 4.16Å; L213-F266 HydrophobicContact CB-CZ 4.34Å; L213-F266 HydrophobicContact CD1-CE1 4.48Å; L213-F266 HydrophobicContact CD1-CZ 4.44Å; A215-F266 HydrophobicContact CB-CD1 3.69Å; A215-F266 HydrophobicContact CB-CE1 3.46Å; A215-F266 VanDerWaalsContact CB-CE1 3.46Å; A215-F266 HydrophobicContact CB-CG 4.48Å; A215-F266 HydrophobicContact CB-CZ 4.08Å; F255-F266 HydrophobicContact CE1-CD2 4.13Å; F255-F266 HydrophobicContact CE1-CE1 4.21Å; F255-F266 AromaticContact CE1-CE2 3.57Å; F255-F266 HydrophobicContact CE1-CE2 3.57Å; F255-F266 AromaticContact CE1-CZ 3.65Å; F255-F266 HydrophobicContact CE1-CZ 3.65Å; F255-F266 HydrophobicContact CZ-CE1 4.14Å; F255-F266 AromaticContact CZ-CE2 3.66Å; F255-F266 HydrophobicContact CZ-CE2 3.66Å; F255-F266 AromaticContact CZ-CZ 3.39Å; F255-F266 HydrophobicContact CZ-CZ 3.39Å; L256-F266 HydrophobicContact CD2-CB 3.84Å; L256-F266 HydrophobicContact CD2-CD2 3.49Å; L256-F266 VanDerWaalsContact CD2-CD2 3.49Å; L256-F266 HydrophobicContact CD2-CE2 4.33Å; L256-F266 HydrophobicContact CD2-CG 3.83Å; Y259-F266 AromaticContact CD1-CE2 3.55Å; Y259-F266 HydrophobicContact CD1-CE2 3.55Å; Y259-F266 AromaticContact CD1-CZ 3.67Å; Y259-F266 HydrophobicContact CD1-CZ 3.67Å; Y259-F266 HydrophobicContact CE1-CE2 4.33Å; Y259-F266 HydrophobicContact CE1-CZ 4.01Å; Y259-F266 AromaticContact CG-CE2 3.7Å; Y259-F266 HydrophobicContact CG-CE2 3.7Å; Y259-F266 HydrophobicContact CG-CZ 4.18Å; F266-V315 HydrophobicContact CB-CG1 4.23Å; F266-V315 HydrophobicContact CB-CG2 4.33Å
267	W	98.9	Very high	98.8	Very high	41 Å²	41	37.2 Å²	37.2	16%	0.155	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-42.5	165.3	157.5	57.8	0	0	0	110.1	K118 L213 R316 L318 M374 F376	K118-W267 HydrophobicContact CD-CZ2 4.05Å; K118-W267 HydrophobicContact CG-CH2 3.79Å; K118-W267 HydrophobicContact CG-CZ2 3.71Å; K118-W267 HydrophobicContact CG-CZ3 4.29Å; L213-W267 PolarHBondContact O-N 3.21Å; W267-R316 PolarHBondContact O-N 2.9Å; W267-L318 HydrophobicContact CH2-CD1 4.47Å; W267-M374 HydrophobicContact CH2-CE 3.73Å; W267-M374 HydrophobicContact CZ2-CE 3.57Å; W267-F376 AromaticContact CH2-CD2 4Å; W267-F376 HydrophobicContact CH2-CD2 4Å; W267-F376 AromaticContact CH2-CE2 3.9Å; W267-F376 HydrophobicContact CH2-CE2 3.9Å; W267-F376 HydrophobicContact CH2-CG 4.37Å; W267-F376 HydrophobicContact CH2-CZ 4.2Å; W267-F376 HydrophobicContact CZ3-CE1 4.37Å; W267-F376 HydrophobicContact CZ3-CE2 4.11Å; W267-F376 AromaticContact CZ3-CZ 4Å; W267-F376 HydrophobicContact CZ3-CZ 4Å
268	A	98.9	Very high	98.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	161	-174.9	0	0	0	0	0	112.8	L213 L214 A215 R316 L318	L213-A268 PolarHBondContact O-N 3.13Å; L214-A268 WeakPolarHBondContact CA-O 3.49Å; L214-A268 HydrophobicContact CD1-CB 3.67Å; A215-A268 PolarHBondContact N-O 3.39Å; A268-R316 CarbonylContact C-O 3.54Å; A268-R316 WeakPolarHBondContact CA-O 3.42Å; A268-R316 HydrophobicContact CB-CB 4Å; A268-R316 WeakPolarHBondContact CB-O 2.93Å; A268-L318 HydrophobicContact CB-CD1 4.36Å; A268-L318 HydrophobicContact CB-CG 4.33Å
269	V	99	Very high	98.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.2	162.4	-62.3	0	0	0	0	109.7	A215 F252 L256 L307 V315 R316 L317 L318	A215-V269 HydrophobicContact CB-CG1 3.85Å; A215-V269 CarbonylContact O-C 3.3Å; A215-V269 WeakPolarHBondContact O-CA 3.38Å; F252-V269 HydrophobicContact CD1-CB 4.32Å; F252-V269 HydrophobicContact CD1-CG2 4.18Å; F252-V269 HydrophobicContact CE1-CB 4.36Å; F252-V269 HydrophobicContact CE1-CG2 4.35Å; L256-V269 HydrophobicContact CD2-CG1 4.21Å; V269-L307 HydrophobicContact CG2-CD1 4.21Å; V269-V315 HydrophobicContact CG1-CG1 3.98Å; V269-V315 HydrophobicContact CG2-CG1 4.36Å; V269-R316 PolarHBondContact N-O 2.8Å; V269-L317 HydrophobicContact CG2-CD1 4Å; V269-L318 PolarHBondContact O-N 3.17Å
270	T	98.9	Very high	98.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	150.1	165.9	71.3	0	0	0	0	110.4	L214 A215 S216 F252 E272 L318 D321 A348	L214-T270 HydrophobicContact CD1-CG2 3.85Å; L214-T270 HydrophobicContact CD2-CG2 4.49Å; L214-T270 HydrophobicContact CG-CG2 4.44Å; A215-T270 PolarHBondContact O-N 2.76Å; S216-T270 WeakPolarHBondContact CB-OG1 3.42Å; S216-T270 WeakPolarHBondContact OG-CG2 3.34Å; S216-T270 PolarHBondContact OG-OG1 2.99Å; F252-T270 WeakPolarHBondContact CE1-O 3.39Å; T270-E272 VanDerWaalsContact C-N 3.33Å; T270-E272 PolarHBondContact O-N 3.03Å; T270-L318 WeakPolarHBondContact CA-O 3.18Å; T270-L318 HydrophobicContact CG2-CB 4.17Å; T270-L318 HydrophobicContact CG2-CD1 4.42Å; T270-D321 WeakPolarHBondContact CB-OD2 3.47Å; T270-D321 HydrophobicContact CG2-CB 3.94Å; T270-D321 VanDerWaalsContact CG2-CG 3.45Å; T270-D321 WeakPolarHBondContact CG2-OD2 3.35Å; T270-D321 PolarHBondContact OG1-OD2 3.34Å; T270-A348 HydrophobicContact CG2-CB 4.09Å
271	A	98.9	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-68.7	-29.6	-174.2	0	0	0	0	0	113.9	Q295 I299 L303 L317 L318	A271-Q295 HydrophobicContact CB-CG 4Å; A271-I299 HydrophobicContact CB-CD1 4.1Å; A271-I299 HydrophobicContact CB-CG1 4.44Å; A271-L303 HydrophobicContact CB-CD2 4.31Å; A271-L317 HydrophobicContact CB-CD1 4.12Å; A271-L318 PolarHBondContact N-O 3.3Å
272	E	98.9	Very high	98.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.			trans	-170.6	145.3	171.9	-180	58.2	-151.9	0	0	108.2	W218 T270 P275 L288 F290 D321	W218-E272 WeakPolarHBondContact CA-OE1 3.34Å; W218-E272 VanDerWaalsContact O-OE1 3.1Å; T270-E272 VanDerWaalsContact C-N 3.33Å; T270-E272 PolarHBondContact O-N 3.03Å; E272-P275 HydrophobicContact CB-CB 4.23Å; E272-P275 HydrophobicContact CG-CB 4.22Å; E272-P275 WeakPolarHBondContact O-CD 3.37Å; E272-L288 HydrophobicContact CG-CB 4.22Å; E272-L288 WeakPolarHBondContact CG-O 3.42Å; E272-L288 WeakPolarHBondContact OE1-CB 3.37Å; E272-L288 PolarHBondContact OE1-N 3.13Å; E272-F290 HydrophobicContact CB-CD2 4.03Å; E272-F290 HydrophobicContact CB-CE2 3.91Å; E272-F290 HydrophobicContact CG-CD2 4.01Å; E272-F290 HydrophobicContact CG-CE2 3.92Å; E272-D321 WeakPolarHBondContact O-CB 3.12Å
273	N	98.8	Very high	98.5	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.027	21%	0.211	C	C	.	.	S	Bend	trans	-79	119.5	171.3	178.7	109.3	0	0	0	110.6	R159 P217 W218	R159-N273 PolarHBondContact NH1-OD1 3.46Å; R159-N273 VanDerWaalsContact NH1-OD1 3.08Å; R159-N273 PolarHBondContact NH2-OD1 3.33Å; P217-N273 WeakPolarHBondContact O-CB 3.34Å; P217-N273 PolarHBondContact O-N 2.86Å; W218-N273 HydrophobicContact CD2-CB 3.84Å; W218-N273 HydrophobicContact CE3-CB 3.91Å; W218-N273 HydrophobicContact CG-CB 4.09Å
274	E	98.5	Very high	98.4	Very high	18 Å²	18	33 Å²	33	8%	0.084	19%	0.194	C	C	.	.	S	Bend	trans	48.5	58.2	-178.8	-58.1	-159.1	159.5	0	0	114.2	S276 A277 Y283 D321 D322 H350	E274-S276 PolarHBondContact O-N 3.47Å; E274-A277 HydrophobicContact CB-CB 4.07Å; E274-A277 WeakPolarHBondContact O-CB 3.19Å; E274-A277 PolarHBondContact O-N 3.06Å; E274-Y283 PolarHBondContact OE2-OH 3.41Å; E274-D321 WeakPolarHBondContact CA-O 3.1Å; E274-D321 PolarHBondContact N-O 3.38Å; E274-D322 VanDerWaalsContact C-OD2 3.29Å; E274-D322 WeakPolarHBondContact CA-OD2 3.37Å; E274-H350 WeakPolarHBondContact CG-ND1 3.4Å; E274-H350 IonicContact OE1-CE1 3.65Å; E274-H350 IonicContact OE1-CG 2.76Å; E274-H350 IonicContact OE1-ND1 3.48Å; E274-H350 PolarHBondContact OE1-ND1 2.93Å
275	P	98.7	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-22.6	179.5	20.8	-35.3	0	0	0	115	E272 G289 F290 L320 D322 W330	E272-P275 HydrophobicContact CB-CB 4.23Å; E272-P275 HydrophobicContact CG-CB 4.22Å; E272-P275 WeakPolarHBondContact O-CD 3.37Å; P275-G289 WeakPolarHBondContact O-CA 3.5Å; P275-F290 HydrophobicContact CB-CB 3.93Å; P275-F290 HydrophobicContact CB-CD2 4.14Å; P275-F290 PolarHBondContact O-N 2.94Å; P275-L320 WeakPolarHBondContact CD-O 3.25Å; P275-L320 VanDerWaalsContact CG-O 3.24Å; P275-L320 WeakPolarHBondContact CG-O 3.39Å; P275-D322 HydrophobicContact CG-CB 4.46Å; P275-W330 HydrophobicContact CB-CH2 4.28Å; P275-W330 HydrophobicContact CB-CZ2 4.1Å; P275-W330 HydrophobicContact CG-CH2 3.82Å; P275-W330 HydrophobicContact CG-CZ2 3.74Å
276	S	98.5	Very high	98.4	Very high	22 Å²	22	26.3 Å²	26.3	15%	0.154	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-29	173.1	69.4	0	0	0	0	113.4	E274 G278 L279 D322	E274-S276 PolarHBondContact O-N 3.47Å; S276-G278 PolarHBondContact O-N 3.47Å; S276-L279 WeakPolarHBondContact O-CB 3.47Å; S276-L279 PolarHBondContact O-N 2.98Å; S276-L279 VanDerWaalsContact O-N 3.08Å; S276-D322 WeakPolarHBondContact CB-OD2 3.45Å; S276-D322 PolarHBondContact N-OD2 2.99Å; S276-D322 VanDerWaalsContact OG-CG 3.31Å; S276-D322 PolarHBondContact OG-OD1 3.29Å; S276-D322 PolarHBondContact OG-OD2 3.44Å
277	A	98	Very high	98.4	Very high	2 Å²	2	26 Å²	26	2%	0.017	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-59.4	-46.9	-178.9	0	0	0	0	0	112.5	E274 L279 L280 Y283 C287	E274-A277 HydrophobicContact CB-CB 4.07Å; E274-A277 WeakPolarHBondContact O-CB 3.19Å; E274-A277 PolarHBondContact O-N 3.06Å; A277-L279 PolarHBondContact O-N 3.16Å; A277-L279 VanDerWaalsContact O-N 3.07Å; A277-L280 WeakPolarHBondContact O-CB 3.36Å; A277-L280 PolarHBondContact O-N 3.34Å; A277-Y283 HydrophobicContact CB-CD1 4.11Å; A277-Y283 HydrophobicContact CB-CD2 3.84Å; A277-Y283 HydrophobicContact CB-CE1 3.71Å; A277-Y283 HydrophobicContact CB-CE2 3.4Å; A277-Y283 VanDerWaalsContact CB-CE2 3.4Å; A277-Y283 HydrophobicContact CB-CG 4.14Å; A277-C287 HydrophobicContact CB-CB 3.92Å
278	G	98.3	Very high	98.4	Very high	1 Å²	1	24 Å²	24	1%	0.01	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-69.2	-2.4	178.5	0	0	0	0	0	114.4	K233 G234 S276 G289	K233-G278 WeakPolarHBondContact CA-O 3.34Å; G234-G278 PolarHBondContact N-O 2.65Å; S276-G278 PolarHBondContact O-N 3.47Å; G278-G289 VanDerWaalsContact C-CA 3.45Å
279	L	98.3	Very high	98.4	Very high	58 Å²	58	24 Å²	24	30%	0.304	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-87.5	-13.3	168.7	-52.3	176.6	0	0	0	112.6	K233 S276 A277 T291	K233-L279 WeakPolarHBondContact CD-O 3.32Å; K233-L279 PolarHBondContact NZ-O 3.07Å; S276-L279 WeakPolarHBondContact O-CB 3.47Å; S276-L279 PolarHBondContact O-N 2.98Å; S276-L279 VanDerWaalsContact O-N 3.08Å; A277-L279 PolarHBondContact O-N 3.16Å; A277-L279 VanDerWaalsContact O-N 3.07Å; L279-T291 HydrophobicContact CD1-CG2 4.46Å; L279-T291 HydrophobicContact CD2-CG2 4.36Å
280	L	97.8	Very high	98.4	Very high	102 Å²	102	24 Å²	24	53%	0.534	15%	0.154	S	C	.	.	S	Bend	trans	-91.2	125	-176.9	-58.5	177	0	0	0	112.1	K233 A277 G282 Y283	K233-L280 PolarHBondContact N-O 3.07Å; A277-L280 WeakPolarHBondContact O-CB 3.36Å; A277-L280 PolarHBondContact O-N 3.34Å; L280-G282 PolarHBondContact O-N 3.09Å; L280-Y283 HydrophobicContact CD1-CD2 4.23Å; L280-Y283 PolarHBondContact O-N 3.35Å
281	S	97.1	Very high	98.4	Very high	105 Å²	105	26.7 Å²	26.7	73%	0.734	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	128.5	174.2	-63.3	0	0	0	0	110.7
282	G	97.1	Very high	98.3	Very high	68 Å²	68	27.3 Å²	27.3	70%	0.701	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	14	-179.5	0	0	0	0	0	115.5	L280	L280-G282 PolarHBondContact O-N 3.09Å
283	Y	98.1	Very high	98.3	Very high	34 Å²	34	30.8 Å²	30.8	13%	0.133	19%	0.191	C	C	.	.			trans	-56.1	128	173.4	-166.6	-92.2	0	0	0	110.9	G232 E274 A277 L280 F285 C287	G232-Y283 WeakPolarHBondContact CA-O 3.11Å; G232-Y283 PolarHBondContact N-O 3.35Å; E274-Y283 PolarHBondContact OE2-OH 3.41Å; A277-Y283 HydrophobicContact CB-CD1 4.11Å; A277-Y283 HydrophobicContact CB-CD2 3.84Å; A277-Y283 HydrophobicContact CB-CE1 3.71Å; A277-Y283 HydrophobicContact CB-CE2 3.4Å; A277-Y283 VanDerWaalsContact CB-CE2 3.4Å; A277-Y283 HydrophobicContact CB-CG 4.14Å; L280-Y283 HydrophobicContact CD1-CD2 4.23Å; L280-Y283 PolarHBondContact O-N 3.35Å; Y283-F285 HydrophobicContact CE1-CD1 4.15Å; Y283-F285 AromaticContact CE1-CD2 3.63Å; Y283-F285 HydrophobicContact CE1-CD2 3.63Å; Y283-F285 AromaticContact CE1-CE1 3.99Å; Y283-F285 HydrophobicContact CE1-CE1 3.99Å; Y283-F285 AromaticContact CE1-CE2 3.45Å; Y283-F285 HydrophobicContact CE1-CE2 3.45Å; Y283-F285 VanDerWaalsContact CE1-CE2 3.45Å; Y283-F285 AromaticContact CE1-CG 3.99Å; Y283-F285 HydrophobicContact CE1-CG 3.99Å; Y283-F285 AromaticContact CE1-CZ 3.65Å; Y283-F285 HydrophobicContact CE1-CZ 3.65Å; Y283-F285 AromaticContact CZ-CE2 3.73Å; Y283-F285 AromaticContact CZ-CZ 3.54Å; Y283-F285 VanDerWaalsContact OH-CE2 3.23Å; Y283-F285 WeakPolarHBondContact OH-CE2 3.44Å; Y283-F285 WeakPolarHBondContact OH-CZ 3.23Å; Y283-C287 HydrophobicContact CD1-CB 3.8Å; Y283-C287 VanDerWaalsContact CD1-SG 3.5Å; Y283-C287 HydrophobicContact CE1-CB 3.94Å
284	P	97.4	Very high	98.3	Very high	69 Å²	69	32 Å²	32	45%	0.448	20%	0.196	S	C	.	.			trans	-78.6	-26.4	-156.6	24.3	-31.7	0	0	0	115.7	N231	N231-P284 PolarHBondContact ND2-O 3.33Å
285	F	98.4	Very high	98.4	Very high	18 Å²	18	31.2 Å²	31.2	8%	0.079	19%	0.192	C	C	.	.	S	Bend	trans	-127	-175.4	-174.6	56.4	-100.5	0	0	0	112.7	D166 N231 Y283 C287 W432 V433	D166-F285 HydrophobicContact CB-CB 3.78Å; D166-F285 HydrophobicContact CB-CD1 3.89Å; D166-F285 HydrophobicContact CB-CD2 3.74Å; D166-F285 HydrophobicContact CB-CE1 4.35Å; D166-F285 HydrophobicContact CB-CE2 4.21Å; D166-F285 HydrophobicContact CB-CG 3.56Å; D166-F285 HydrophobicContact CB-CZ 4.48Å; N231-F285 VanDerWaalsContact CA-O 3.25Å; N231-F285 WeakPolarHBondContact CA-O 3.5Å; N231-F285 VanDerWaalsContact CB-C 3.4Å; N231-F285 WeakPolarHBondContact CB-O 3.35Å; Y283-F285 HydrophobicContact CE1-CD1 4.15Å; Y283-F285 AromaticContact CE1-CD2 3.63Å; Y283-F285 HydrophobicContact CE1-CD2 3.63Å; Y283-F285 AromaticContact CE1-CE1 3.99Å; Y283-F285 HydrophobicContact CE1-CE1 3.99Å; Y283-F285 AromaticContact CE1-CE2 3.45Å; Y283-F285 HydrophobicContact CE1-CE2 3.45Å; Y283-F285 VanDerWaalsContact CE1-CE2 3.45Å; Y283-F285 AromaticContact CE1-CG 3.99Å; Y283-F285 HydrophobicContact CE1-CG 3.99Å; Y283-F285 AromaticContact CE1-CZ 3.65Å; Y283-F285 HydrophobicContact CE1-CZ 3.65Å; Y283-F285 AromaticContact CZ-CE2 3.73Å; Y283-F285 AromaticContact CZ-CZ 3.54Å; Y283-F285 VanDerWaalsContact OH-CE2 3.23Å; Y283-F285 WeakPolarHBondContact OH-CE2 3.44Å; Y283-F285 WeakPolarHBondContact OH-CZ 3.23Å; F285-C287 PolarHBondContact O-N 3.42Å; F285-C287 PolarHBondContact O-SG 2.97Å; F285-W432 HydrophobicContact CB-CZ2 4.13Å; F285-V433 HydrophobicContact CB-CG1 4.06Å; F285-V433 HydrophobicContact CB-CG2 4Å; F285-V433 HydrophobicContact CD1-CG2 3.95Å; F285-V433 HydrophobicContact CG-CG2 4.38Å
286	Q	98.8	Very high	98.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.202	C	C	.	.			trans	-50.5	122.3	-176.1	-64.6	91.4	-42.1	0	0	111.6	S164 C165 W218 T219 V230	S164-Q286 VanDerWaalsContact CB-NE2 3.28Å; S164-Q286 PolarHBondContact OG-NE2 3.36Å; C165-Q286 VanDerWaalsContact C-NE2 3.32Å; C165-Q286 VanDerWaalsContact C-OE1 3.3Å; C165-Q286 PolarHBondContact O-NE2 2.99Å; C165-Q286 PolarHBondContact O-OE1 2.84Å; W218-Q286 HydrophobicContact CB-CB 3.67Å; W218-Q286 HydrophobicContact CG-CB 4.44Å; W218-Q286 CarbonylContact O-C 3.58Å; W218-Q286 VanDerWaalsContact O-C 3.3Å; T219-Q286 HydrophobicContact CG2-CB 3.88Å; T219-Q286 HydrophobicContact CG2-CG 3.81Å; V230-Q286 HydrophobicContact CB-CG 4.23Å; V230-Q286 WeakPolarHBondContact O-CA 3.38Å
287	C	98.7	Very high	98.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	20%	0.203	C	C	.	.			trans	-154.6	146.7	175.7	58.3	0	0	0	0	111.3	W218 K225 V230 G232 A277 Y283 F285	W218-C287 CarbonylContact O-C 3.55Å; W218-C287 WeakPolarHBondContact O-CA 3.17Å; W218-C287 PolarHBondContact O-N 3Å; K225-C287 PolarHBondContact NZ-O 3.42Å; V230-C287 PolarHBondContact O-N 3.45Å; V230-C287 VanDerWaalsContact O-N 3.16Å; G232-C287 PolarHBondContact O-SG 3.09Å; G232-C287 VanDerWaalsContact O-SG 3.37Å; A277-C287 HydrophobicContact CB-CB 3.92Å; Y283-C287 HydrophobicContact CD1-CB 3.8Å; Y283-C287 VanDerWaalsContact CD1-SG 3.5Å; Y283-C287 HydrophobicContact CE1-CB 3.94Å; F285-C287 PolarHBondContact O-N 3.42Å; F285-C287 PolarHBondContact O-SG 2.97Å
288	L	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.			trans	-124	117.9	169	-174.1	64	0	0	0	110.2	W218 K225 L236 W248 E272 F290	W218-L288 PolarHBondContact O-N 2.7Å; K225-L288 HydrophobicContact CD-CD1 4.07Å; K225-L288 HydrophobicContact CG-CD1 3.89Å; L236-L288 HydrophobicContact CD2-CD1 4.23Å; L236-L288 HydrophobicContact CD2-CD2 3.98Å; L236-L288 HydrophobicContact CG-CD1 4.28Å; L236-L288 HydrophobicContact CG-CD2 4.07Å; W248-L288 HydrophobicContact CZ2-CD2 4.13Å; E272-L288 HydrophobicContact CG-CB 4.22Å; E272-L288 WeakPolarHBondContact CG-O 3.42Å; E272-L288 WeakPolarHBondContact OE1-CB 3.37Å; E272-L288 PolarHBondContact OE1-N 3.13Å; L288-F290 HydrophobicContact CB-CE2 4.21Å; L288-F290 HydrophobicContact CD2-CE2 3.63Å; L288-F290 HydrophobicContact CD2-CZ 3.81Å; L288-F290 HydrophobicContact CG-CD2 4.41Å; L288-F290 HydrophobicContact CG-CE2 3.62Å; L288-F290 HydrophobicContact CG-CZ 4.11Å; L288-F290 WeakPolarHBondContact O-CD2 3.4Å
289	G	98.8	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.			trans	-79.6	124.7	-171	0	0	0	0	0	113.4	G234 S235 P275 G278	G234-G289 PolarHBondContact O-N 3.46Å; S235-G289 WeakPolarHBondContact CA-O 3.33Å; S235-G289 WeakPolarHBondContact CB-O 3.29Å; P275-G289 WeakPolarHBondContact O-CA 3.5Å; G278-G289 VanDerWaalsContact C-CA 3.45Å
290	F	98.8	Very high	98.5	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.193	C	C	.	.			trans	-130.3	132.2	168.4	-62.9	-95.9	0	0	0	110.7	L236 E272 P275 L288 H294 Q295 F298	L236-F290 HydrophobicContact CD1-CE1 4.06Å; L236-F290 HydrophobicContact CD1-CZ 3.94Å; L236-F290 HydrophobicContact CG-CZ 4.26Å; E272-F290 HydrophobicContact CB-CD2 4.03Å; E272-F290 HydrophobicContact CB-CE2 3.91Å; E272-F290 HydrophobicContact CG-CD2 4.01Å; E272-F290 HydrophobicContact CG-CE2 3.92Å; P275-F290 HydrophobicContact CB-CB 3.93Å; P275-F290 HydrophobicContact CB-CD2 4.14Å; P275-F290 PolarHBondContact O-N 2.94Å; L288-F290 HydrophobicContact CB-CE2 4.21Å; L288-F290 HydrophobicContact CD2-CE2 3.63Å; L288-F290 HydrophobicContact CD2-CZ 3.81Å; L288-F290 HydrophobicContact CG-CD2 4.41Å; L288-F290 HydrophobicContact CG-CE2 3.62Å; L288-F290 HydrophobicContact CG-CZ 4.11Å; L288-F290 WeakPolarHBondContact O-CD2 3.4Å; F290-H294 HydrophobicContact CB-CB 4.3Å; F290-H294 HydrophobicContact CD1-CB 4.12Å; F290-H294 AromaticContact CD1-CD2 3.75Å; F290-H294 AromaticContact CD1-CE1 3.88Å; F290-H294 AromaticContact CD1-CG 3.59Å; F290-H294 AromaticContact CD1-ND1 3.7Å; F290-H294 AromaticContact CD1-NE2 3.91Å; F290-H294 AromaticContact CE1-NE2 3.91Å; F290-Q295 HydrophobicContact CB-CB 4.15Å; F290-Q295 HydrophobicContact CG-CB 4.5Å; F290-F298 HydrophobicContact CE1-CB 4.25Å; F290-F298 AromaticContact CE1-CD1 3.98Å; F290-F298 HydrophobicContact CE1-CD1 3.98Å; F290-F298 HydrophobicContact CE1-CG 4.14Å; F290-F298 HydrophobicContact CZ-CD1 4.2Å; F290-F298 HydrophobicContact CZ-CE1 4.43Å
291	T	98.8	Very high	98.6	Very high	55 Å²	55	32.9 Å²	32.9	34%	0.337	19%	0.189	S	C	.	.			trans	-71.4	161.6	158.7	82.6	0	0	0	0	108.9	L279 E293 H294 Q295	L279-T291 HydrophobicContact CD1-CG2 4.46Å; L279-T291 HydrophobicContact CD2-CG2 4.36Å; T291-E293 VanDerWaalsContact CB-OE2 3.25Å; T291-E293 WeakPolarHBondContact CB-OE2 3.25Å; T291-E293 PolarHBondContact O-N 2.86Å; T291-E293 PolarHBondContact OG1-N 2.93Å; T291-E293 PolarHBondContact OG1-OE2 2.86Å; T291-H294 PolarHBondContact O-N 2.79Å; T291-H294 PolarHBondContact OG1-N 3.14Å; T291-Q295 PolarHBondContact O-N 3.17Å
292	P	98.8	Very high	98.6	Very high	13 Å²	13	27.9 Å²	27.9	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-31.4	176.3	22	-31.8	0	0	0	113.1	R296 W330 V333	P292-R296 WeakPolarHBondContact O-CB 3.41Å; P292-R296 PolarHBondContact O-N 2.87Å; P292-W330 HydrophobicContact CB-CD2 3.69Å; P292-W330 HydrophobicContact CB-CE3 4.22Å; P292-W330 HydrophobicContact CB-CG 3.85Å; P292-W330 HydrophobicContact CB-CZ2 4.3Å; P292-V333 HydrophobicContact CB-CB 3.84Å; P292-V333 HydrophobicContact CB-CG1 3.81Å; P292-V333 HydrophobicContact CB-CG2 4.22Å; P292-V333 HydrophobicContact CG-CB 4.38Å; P292-V333 HydrophobicContact CG-CG1 4.31Å; P292-V333 HydrophobicContact CG-CG2 4.25Å
293	E	98.9	Very high	98.7	Very high	74 Å²	74	24.6 Å²	24.6	35%	0.346	12%	0.12	S	C	.	.	H	α-helix	trans	-67.9	-40	172.9	-55.5	71.9	-157.4	0	0	111.6	T291 R296 D297 V333	T291-E293 VanDerWaalsContact CB-OE2 3.25Å; T291-E293 WeakPolarHBondContact CB-OE2 3.25Å; T291-E293 PolarHBondContact O-N 2.86Å; T291-E293 PolarHBondContact OG1-N 2.93Å; T291-E293 PolarHBondContact OG1-OE2 2.86Å; E293-R296 WeakPolarHBondContact O-CB 3.2Å; E293-R296 PolarHBondContact O-N 2.62Å; E293-D297 WeakPolarHBondContact O-CB 3.49Å; E293-D297 PolarHBondContact O-N 2.99Å; E293-V333 HydrophobicContact CB-CG1 4.45Å; E293-V333 HydrophobicContact CG-CG1 3.91Å
294	H	98.9	Very high	98.8	Very high	31 Å²	31	23.1 Å²	23.1	14%	0.144	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-43.7	177.8	-168.1	-178.7	0	0	0	111.1	H245 F290 T291 D297 F298	H245-H294 AromaticContact CD2-NE2 3.72Å; H245-H294 AromaticContact CE1-NE2 4Å; H245-H294 AromaticContact NE2-CD2 3.89Å; H245-H294 AromaticContact NE2-CE1 3.81Å; H245-H294 AromaticContact NE2-NE2 2.9Å; H245-H294 PolarHBondContact NE2-NE2 3.04Å; F290-H294 HydrophobicContact CB-CB 4.3Å; F290-H294 HydrophobicContact CD1-CB 4.12Å; F290-H294 AromaticContact CD1-CD2 3.75Å; F290-H294 AromaticContact CD1-CE1 3.88Å; F290-H294 AromaticContact CD1-CG 3.59Å; F290-H294 AromaticContact CD1-ND1 3.7Å; F290-H294 AromaticContact CD1-NE2 3.91Å; F290-H294 AromaticContact CE1-NE2 3.91Å; T291-H294 PolarHBondContact O-N 2.79Å; T291-H294 PolarHBondContact OG1-N 3.14Å; H294-D297 PolarHBondContact O-N 2.82Å; H294-F298 VanDerWaalsContact O-CB 3.25Å; H294-F298 WeakPolarHBondContact O-CB 3.34Å; H294-F298 PolarHBondContact O-N 2.99Å
295	Q	98.9	Very high	98.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-38.9	174.3	-170.4	172.8	110.3	0	0	111.6	A271 F290 T291 D297 F298 I299 W330	A271-Q295 HydrophobicContact CB-CG 4Å; F290-Q295 HydrophobicContact CB-CB 4.15Å; F290-Q295 HydrophobicContact CG-CB 4.5Å; T291-Q295 PolarHBondContact O-N 3.17Å; Q295-D297 PolarHBondContact O-N 2.76Å; Q295-F298 PolarHBondContact O-N 3.32Å; Q295-I299 HydrophobicContact CG-CD1 3.73Å; Q295-I299 HydrophobicContact CG-CG1 4.09Å; Q295-I299 WeakPolarHBondContact O-CB 3.18Å; Q295-I299 WeakPolarHBondContact O-CG1 3.12Å; Q295-I299 PolarHBondContact O-N 2.93Å; Q295-W330 HydrophobicContact CB-CH2 3.39Å; Q295-W330 HydrophobicContact CB-CZ2 4.39Å; Q295-W330 HydrophobicContact CB-CZ3 3.8Å; Q295-W330 VanDerWaalsContact CD-CZ3 3.43Å; Q295-W330 HydrophobicContact CG-CH2 3.88Å; Q295-W330 HydrophobicContact CG-CZ3 4.02Å
296	R	98.9	Very high	98.9	Very high	56 Å²	56	21.4 Å²	21.4	21%	0.211	11%	0.105	C	C	.	.	H	α-helix	trans	-52.8	-55.1	172.1	177.5	-161.4	71.6	-148.5	-4.2	111.2	P292 E293 I299 A300 V333 V334 D337 A340	P292-R296 WeakPolarHBondContact O-CB 3.41Å; P292-R296 PolarHBondContact O-N 2.87Å; E293-R296 WeakPolarHBondContact O-CB 3.2Å; E293-R296 PolarHBondContact O-N 2.62Å; R296-I299 PolarHBondContact O-N 3.09Å; R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.01Å; R296-V333 WeakPolarHBondContact CD-O 3.44Å; R296-V334 HydrophobicContact CB-CB 4.41Å; R296-V334 HydrophobicContact CB-CG1 4.48Å; R296-V334 HydrophobicContact CB-CG2 4.07Å; R296-D337 WeakPolarHBondContact CD-OD2 3.4Å; R296-D337 HydrophobicContact CG-CB 3.95Å; R296-D337 IonicContact NE-OD2 3.76Å; R296-A340 HydrophobicContact CG-CB 3.76Å
297	D	98.9	Very high	98.9	Very high	30 Å²	30	21.8 Å²	21.8	16%	0.16	11%	0.107	C	C	.	.	H	α-helix	trans	-69.2	-36.7	-174.2	-71.1	-14	0	0	0	111.9	P240 E293 H294 Q295 A300 R301	P240-D297 HydrophobicContact CB-CB 3.76Å; P240-D297 HydrophobicContact CG-CB 3.74Å; E293-D297 WeakPolarHBondContact O-CB 3.49Å; E293-D297 PolarHBondContact O-N 2.99Å; H294-D297 PolarHBondContact O-N 2.82Å; Q295-D297 PolarHBondContact O-N 2.76Å; D297-A300 PolarHBondContact O-N 3.36Å; D297-R301 VanDerWaalsContact O-CB 3.31Å; D297-R301 WeakPolarHBondContact O-CB 3.5Å; D297-R301 WeakPolarHBondContact O-CG 3.44Å; D297-R301 PolarHBondContact O-N 2.87Å
298	F	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-41.8	172.4	172.4	-122.1	0	0	0	112.2	H245 W248 A249 F252 F290 H294 Q295 D302 L303	H245-F298 HydrophobicContact CB-CD2 4.27Å; W248-F298 HydrophobicContact CB-CE2 4.45Å; W248-F298 AromaticContact CD1-CE1 3.89Å; W248-F298 AromaticContact CD1-CE2 3.83Å; W248-F298 AromaticContact CD1-CZ 3.29Å; W248-F298 HydrophobicContact CG-CZ 4.18Å; W248-F298 AromaticContact NE1-CZ 3.99Å; A249-F298 HydrophobicContact CB-CE2 4.31Å; F252-F298 HydrophobicContact CE2-CZ 4.33Å; F290-F298 HydrophobicContact CE1-CB 4.25Å; F290-F298 AromaticContact CE1-CD1 3.98Å; F290-F298 HydrophobicContact CE1-CD1 3.98Å; F290-F298 HydrophobicContact CE1-CG 4.14Å; F290-F298 HydrophobicContact CZ-CD1 4.2Å; F290-F298 HydrophobicContact CZ-CE1 4.43Å; H294-F298 VanDerWaalsContact O-CB 3.25Å; H294-F298 WeakPolarHBondContact O-CB 3.34Å; H294-F298 PolarHBondContact O-N 2.99Å; Q295-F298 PolarHBondContact O-N 3.32Å; F298-D302 HydrophobicContact CD2-CB 3.67Å; F298-D302 HydrophobicContact CE2-CB 3.82Å; F298-D302 CarbonylContact O-C 3.3Å; F298-D302 WeakPolarHBondContact O-CA 3.45Å; F298-D302 WeakPolarHBondContact O-CB 3.41Å; F298-D302 PolarHBondContact O-N 2.66Å; F298-L303 HydrophobicContact CD1-CB 4.37Å; F298-L303 HydrophobicContact CE1-CB 3.88Å; F298-L303 HydrophobicContact CE1-CD2 3.77Å; F298-L303 HydrophobicContact CE1-CG 4.36Å; F298-L303 HydrophobicContact CE2-CB 4.15Å; F298-L303 HydrophobicContact CZ-CB 3.73Å; F298-L303 HydrophobicContact CZ-CD1 4.44Å; F298-L303 HydrophobicContact CZ-CD2 4.18Å; F298-L303 HydrophobicContact CZ-CG 4.34Å; F298-L303 PolarHBondContact O-N 3.39Å
299	I	98.9	Very high	98.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-65.4	-47.1	175.4	-69.9	177	0	0	0	110.7	A271 Q295 R296 G304 P305 L317 M319 V334 A340 V344	A271-I299 HydrophobicContact CB-CD1 4.1Å; A271-I299 HydrophobicContact CB-CG1 4.44Å; Q295-I299 HydrophobicContact CG-CD1 3.73Å; Q295-I299 HydrophobicContact CG-CG1 4.09Å; Q295-I299 WeakPolarHBondContact O-CB 3.18Å; Q295-I299 WeakPolarHBondContact O-CG1 3.12Å; Q295-I299 PolarHBondContact O-N 2.93Å; R296-I299 PolarHBondContact O-N 3.09Å; I299-G304 WeakPolarHBondContact O-CA 3.37Å; I299-G304 PolarHBondContact O-N 3.1Å; I299-P305 WeakPolarHBondContact O-CD 3.18Å; I299-L317 HydrophobicContact CB-CD2 4.5Å; I299-L317 HydrophobicContact CD1-CD2 4.21Å; I299-L317 HydrophobicContact CG1-CD2 4.04Å; I299-L317 HydrophobicContact CG2-CD2 3.82Å; I299-M319 HydrophobicContact CD1-CB 4.26Å; I299-V334 HydrophobicContact CD1-CG1 4.5Å; I299-A340 HydrophobicContact CG2-CB 4.36Å; I299-V344 HydrophobicContact CD1-CG2 4.06Å; I299-V344 HydrophobicContact CG2-CG2 4.01Å
300	A	98.9	Very high	98.9	Very high	14 Å²	14	31.9 Å²	31.9	12%	0.116	17%	0.169	C	C	.	.	I	π-helix	trans	-67	-40.1	-176.5	0	0	0	0	0	113.6	R296 D297 P305 E339 A340	R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.01Å; D297-A300 PolarHBondContact O-N 3.36Å; A300-P305 WeakPolarHBondContact O-CD 3.23Å; A300-P305 VanDerWaalsContact O-CG 3.26Å; A300-P305 WeakPolarHBondContact O-CG 3.29Å; A300-E339 HydrophobicContact CB-CB 4.14Å; A300-A340 HydrophobicContact CB-CB 4.12Å
301	R	98.8	Very high	98.8	Very high	120 Å²	120	37.2 Å²	37.2	45%	0.453	20%	0.202	S	C	.	.	I	π-helix	trans	-98.7	-30.6	-171.6	-60.2	-178.5	-169.4	172.9	6.1	114.1	P240 Q246 D297	P240-R301 VanDerWaalsContact O-CD 3.22Å; P240-R301 WeakPolarHBondContact O-CD 3.48Å; P240-R301 PolarHBondContact O-NH1 3.36Å; Q246-R301 PolarHBondContact NE2-O 3.06Å; Q246-R301 VanDerWaalsContact NE2-O 3.17Å; D297-R301 VanDerWaalsContact O-CB 3.31Å; D297-R301 WeakPolarHBondContact O-CB 3.5Å; D297-R301 WeakPolarHBondContact O-CG 3.44Å; D297-R301 PolarHBondContact O-N 2.87Å
302	D	98.9	Very high	98.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-121.1	-69.3	-168.1	-50.3	-73.7	0	0	0	111.9	P240 G241 H245 Q246 A249 F298 T306	P240-D302 WeakPolarHBondContact CA-OD2 3.37Å; P240-D302 WeakPolarHBondContact CB-OD2 3.4Å; G241-D302 WeakPolarHBondContact CA-OD1 3.4Å; G241-D302 VanDerWaalsContact N-CG 3.32Å; G241-D302 PolarHBondContact N-OD1 2.65Å; G241-D302 PolarHBondContact N-OD2 3.47Å; H245-D302 HydrophobicContact CB-CB 4.22Å; H245-D302 VanDerWaalsContact CB-CG 3.44Å; H245-D302 VanDerWaalsContact CB-OD2 3.29Å; H245-D302 WeakPolarHBondContact CB-OD2 3.23Å; Q246-D302 WeakPolarHBondContact CG-OD1 3.36Å; Q246-D302 PolarHBondContact NE2-OD1 2.87Å; A249-D302 HydrophobicContact CB-CB 4Å; F298-D302 HydrophobicContact CD2-CB 3.67Å; F298-D302 HydrophobicContact CE2-CB 3.82Å; F298-D302 CarbonylContact O-C 3.3Å; F298-D302 WeakPolarHBondContact O-CA 3.45Å; F298-D302 WeakPolarHBondContact O-CB 3.41Å; F298-D302 PolarHBondContact O-N 2.66Å; D302-T306 WeakPolarHBondContact O-CB 3.08Å; D302-T306 PolarHBondContact O-N 3.4Å; D302-T306 PolarHBondContact O-OG1 2.85Å
303	L	98.9	Very high	98.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-68.7	-46.7	-168.7	-175.7	60	0	0	0	112.8	F252 A271 F298 T306 L307 L317	F252-L303 HydrophobicContact CB-CD1 3.97Å; F252-L303 HydrophobicContact CD1-CD1 4.07Å; F252-L303 HydrophobicContact CD2-CD1 3.62Å; F252-L303 HydrophobicContact CE1-CD1 4.43Å; F252-L303 HydrophobicContact CE1-CD2 4.4Å; F252-L303 HydrophobicContact CE2-CD1 4.02Å; F252-L303 HydrophobicContact CE2-CD2 4.37Å; F252-L303 HydrophobicContact CG-CD1 3.63Å; F252-L303 HydrophobicContact CZ-CD1 4.39Å; F252-L303 HydrophobicContact CZ-CD2 4.17Å; A271-L303 HydrophobicContact CB-CD2 4.31Å; F298-L303 HydrophobicContact CD1-CB 4.37Å; F298-L303 HydrophobicContact CE1-CB 3.88Å; F298-L303 HydrophobicContact CE1-CD2 3.77Å; F298-L303 HydrophobicContact CE1-CG 4.36Å; F298-L303 HydrophobicContact CE2-CB 4.15Å; F298-L303 HydrophobicContact CZ-CB 3.73Å; F298-L303 HydrophobicContact CZ-CD1 4.44Å; F298-L303 HydrophobicContact CZ-CD2 4.18Å; F298-L303 HydrophobicContact CZ-CG 4.34Å; F298-L303 PolarHBondContact O-N 3.39Å; L303-T306 PolarHBondContact O-N 2.98Å; L303-L307 HydrophobicContact CD1-CD1 3.81Å; L303-L307 HydrophobicContact CD1-CG 4.01Å; L303-L307 HydrophobicContact CG-CD1 3.92Å; L303-L307 HydrophobicContact CG-CG 4.48Å; L303-L307 WeakPolarHBondContact O-CB 3.32Å; L303-L307 WeakPolarHBondContact O-CG 3.38Å; L303-L307 PolarHBondContact O-N 2.98Å; L303-L317 HydrophobicContact CD2-CD1 3.6Å; L303-L317 HydrophobicContact CD2-CD2 4.04Å; L303-L317 HydrophobicContact CD2-CG 4.5Å; L303-L317 HydrophobicContact CG-CD1 4.39Å; L303-L317 HydrophobicContact CG-CD2 4.23Å
304	G	98.9	Very high	98.8	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-56.5	179.2	0	0	0	0	0	113.1	I299 T306 L307 A308 Y343	I299-G304 WeakPolarHBondContact O-CA 3.37Å; I299-G304 PolarHBondContact O-N 3.1Å; G304-T306 VanDerWaalsContact C-N 3.34Å; G304-T306 PolarHBondContact O-N 2.83Å; G304-L307 PolarHBondContact O-N 3.09Å; G304-A308 VanDerWaalsContact O-CB 3.27Å; G304-A308 WeakPolarHBondContact O-CB 3.49Å; G304-A308 PolarHBondContact O-N 2.9Å; G304-Y343 VanDerWaalsContact C-CE1 3.45Å; G304-Y343 VanDerWaalsContact CA-CG 3.43Å; G304-Y343 WeakPolarHBondContact O-CE1 3.4Å
305	P	98.9	Very high	98.8	Very high	28 Å²	28	40.3 Å²	40.3	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-40.7	174.9	-26	35.2	0	0	0	113.5	I299 A300 A308 N309 Y343	I299-P305 WeakPolarHBondContact O-CD 3.18Å; A300-P305 WeakPolarHBondContact O-CD 3.23Å; A300-P305 VanDerWaalsContact O-CG 3.26Å; A300-P305 WeakPolarHBondContact O-CG 3.29Å; P305-A308 PolarHBondContact O-N 2.9Å; P305-N309 WeakPolarHBondContact O-CB 3.19Å; P305-N309 VanDerWaalsContact O-CG 3.3Å; P305-N309 PolarHBondContact O-N 3.46Å; P305-Y343 HydrophobicContact CG-CE2 3.99Å
306	T	98.9	Very high	98.8	Very high	23 Å²	23	45.7 Å²	45.7	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-43.6	-178.7	-58.1	0	0	0	0	112	A249 R250 V253 D302 L303 G304 S310	A249-T306 HydrophobicContact CB-CG2 4.03Å; A249-T306 WeakPolarHBondContact CB-OG1 3.47Å; R250-T306 HydrophobicContact CG-CG2 4.21Å; V253-T306 HydrophobicContact CG2-CG2 3.82Å; D302-T306 WeakPolarHBondContact O-CB 3.08Å; D302-T306 PolarHBondContact O-N 3.4Å; D302-T306 PolarHBondContact O-OG1 2.85Å; L303-T306 PolarHBondContact O-N 2.98Å; G304-T306 VanDerWaalsContact C-N 3.34Å; G304-T306 PolarHBondContact O-N 2.83Å; T306-S310 PolarHBondContact O-N 2.58Å
307	L	98.9	Very high	98.8	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-44.1	174.4	-73.4	172.7	0	0	0	111.3	V253 L256 V269 L303 G304 N309 S310 H313	V253-L307 HydrophobicContact CG2-CD2 4.24Å; L256-L307 HydrophobicContact CD1-CD2 3.75Å; V269-L307 HydrophobicContact CG2-CD1 4.21Å; L303-L307 HydrophobicContact CD1-CD1 3.81Å; L303-L307 HydrophobicContact CD1-CG 4.01Å; L303-L307 HydrophobicContact CG-CD1 3.92Å; L303-L307 HydrophobicContact CG-CG 4.48Å; L303-L307 WeakPolarHBondContact O-CB 3.32Å; L303-L307 WeakPolarHBondContact O-CG 3.38Å; L303-L307 PolarHBondContact O-N 2.98Å; G304-L307 PolarHBondContact O-N 3.09Å; L307-N309 VanDerWaalsContact C-N 3.29Å; L307-N309 PolarHBondContact O-N 2.74Å; L307-S310 WeakPolarHBondContact O-CB 3.32Å; L307-S310 PolarHBondContact O-N 2.83Å; L307-S310 VanDerWaalsContact O-N 3.09Å; L307-S310 PolarHBondContact O-OG 3.43Å; L307-H313 WeakPolarHBondContact O-CA 3.43Å
308	A	98.8	Very high	98.8	Very high	47 Å²	47	41.9 Å²	41.9	39%	0.388	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-32.3	-179.8	0	0	0	0	0	113.4	G304 P305 S310 H313 Y343	G304-A308 VanDerWaalsContact O-CB 3.27Å; G304-A308 WeakPolarHBondContact O-CB 3.49Å; G304-A308 PolarHBondContact O-N 2.9Å; P305-A308 PolarHBondContact O-N 2.9Å; A308-S310 VanDerWaalsContact C-N 3.33Å; A308-H313 WeakPolarHBondContact O-CB 3.12Å; A308-Y343 HydrophobicContact CB-CE1 3.98Å
309	N	98.7	Very high	98.8	Very high	147 Å²	147	41.9 Å²	41.9	79%	0.786	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	2.4	176.4	-68.3	-13	0	0	0	113.7	P305 L307	P305-N309 WeakPolarHBondContact O-CB 3.19Å; P305-N309 VanDerWaalsContact O-CG 3.3Å; P305-N309 PolarHBondContact O-N 3.46Å; L307-N309 VanDerWaalsContact C-N 3.29Å; L307-N309 PolarHBondContact O-N 2.74Å
310	S	98.7	Very high	98.8	Very high	19 Å²	19	41.9 Å²	41.9	13%	0.133	22%	0.219	C	C	.	.	S	Bend	trans	-96.8	167.2	177.5	78.4	0	0	0	0	112.3	T306 L307 A308 H312 H313	T306-S310 PolarHBondContact O-N 2.58Å; L307-S310 WeakPolarHBondContact O-CB 3.32Å; L307-S310 PolarHBondContact O-N 2.83Å; L307-S310 VanDerWaalsContact O-N 3.09Å; L307-S310 PolarHBondContact O-OG 3.43Å; A308-S310 VanDerWaalsContact C-N 3.33Å; S310-H312 PolarHBondContact O-N 3.32Å; S310-H312 VanDerWaalsContact O-N 3.16Å; S310-H312 PolarHBondContact OG-N 3.11Å; S310-H313 PolarHBondContact O-N 3.16Å
311	T	98.7	Very high	98.8	Very high	114 Å²	114	41.2 Å²	41.2	70%	0.699	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.5	167	45.7	0	0	0	0	113.2
312	H	98.8	Very high	98.8	Very high	26 Å²	26	35.5 Å²	35.5	12%	0.12	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	16.5	-177.7	-53.3	-74.3	0	0	0	114	L256 D257 S310 N314 V315	L256-H312 HydrophobicContact CB-CB 4.33Å; L256-H312 HydrophobicContact CD1-CB 3.81Å; L256-H312 PolarHBondContact O-CE1 3.1Å; D257-H312 PolarHBondContact N-NE2 3.48Å; D257-H312 IonicContact OD1-CD2 3.86Å; D257-H312 IonicContact OD1-CE1 3.46Å; D257-H312 IonicContact OD1-NE2 3.79Å; D257-H312 PolarHBondContact OD1-NE2 2.86Å; S310-H312 PolarHBondContact O-N 3.32Å; S310-H312 VanDerWaalsContact O-N 3.16Å; S310-H312 PolarHBondContact OG-N 3.11Å; H312-N314 PolarHBondContact O-N 3.17Å; H312-V315 HydrophobicContact CB-CG2 3.97Å; H312-V315 WeakPolarHBondContact O-CB 3.49Å; H312-V315 WeakPolarHBondContact O-CG2 3.46Å; H312-V315 PolarHBondContact O-N 2.83Å
313	H	98.4	Very high	98.7	Very high	104 Å²	104	36.9 Å²	36.9	48%	0.481	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-11.9	-178.4	73.8	83.2	0	0	0	115.9	L307 A308 S310	L307-H313 WeakPolarHBondContact O-CA 3.43Å; A308-H313 WeakPolarHBondContact O-CB 3.12Å; S310-H313 PolarHBondContact O-N 3.16Å
314	N	98.6	Very high	98.5	Very high	94 Å²	94	37.5 Å²	37.5	50%	0.503	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-16.9	174.4	-67.1	-57.2	0	0	0	113.8	H312 R316	H312-N314 PolarHBondContact O-N 3.17Å; N314-R316 PolarHBondContact O-N 3.42Å
315	V	98.9	Very high	98.4	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.085	22%	0.218	C	C	.	.	S	Bend	trans	-66.2	128.3	176	179.6	0	0	0	0	108.8	L256 F266 V269 H312	L256-V315 HydrophobicContact CD1-CG1 4.5Å; L256-V315 HydrophobicContact CD1-CG2 4.32Å; L256-V315 HydrophobicContact CD2-CG2 4.41Å; F266-V315 HydrophobicContact CB-CG1 4.23Å; F266-V315 HydrophobicContact CB-CG2 4.33Å; V269-V315 HydrophobicContact CG1-CG1 3.98Å; V269-V315 HydrophobicContact CG2-CG1 4.36Å; H312-V315 HydrophobicContact CB-CG2 3.97Å; H312-V315 WeakPolarHBondContact O-CB 3.49Å; H312-V315 WeakPolarHBondContact O-CG2 3.46Å; H312-V315 PolarHBondContact O-N 2.83Å
316	R	98.9	Very high	98.3	Very high	113 Å²	113	41.2 Å²	41.2	43%	0.426	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.7	-177.4	-56.4	-54.4	-177.7	-171.8	-3.2	111.2	W267 A268 V269 N314 H345	W267-R316 PolarHBondContact O-N 2.9Å; A268-R316 CarbonylContact C-O 3.54Å; A268-R316 WeakPolarHBondContact CA-O 3.42Å; A268-R316 HydrophobicContact CB-CB 4Å; A268-R316 WeakPolarHBondContact CB-O 2.93Å; V269-R316 PolarHBondContact N-O 2.8Å; N314-R316 PolarHBondContact O-N 3.42Å; R316-H345 HydrophobicContact CB-CB 3.83Å; R316-H345 HydrophobicContact CG-CB 4.33Å
317	L	98.9	Very high	98.3	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.9	172.1	179.9	59.8	0	0	0	110.4	V269 A271 I299 L303 H345	V269-L317 HydrophobicContact CG2-CD1 4Å; A271-L317 HydrophobicContact CB-CD1 4.12Å; I299-L317 HydrophobicContact CB-CD2 4.5Å; I299-L317 HydrophobicContact CD1-CD2 4.21Å; I299-L317 HydrophobicContact CG1-CD2 4.04Å; I299-L317 HydrophobicContact CG2-CD2 3.82Å; L303-L317 HydrophobicContact CD2-CD1 3.6Å; L303-L317 HydrophobicContact CD2-CD2 4.04Å; L303-L317 HydrophobicContact CD2-CG 4.5Å; L303-L317 HydrophobicContact CG-CD1 4.39Å; L303-L317 HydrophobicContact CG-CD2 4.23Å; L317-H345 PolarHBondContact O-N 3.15Å
318	L	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133	171	-49.2	-179.1	0	0	0	109.8	L214 W267 A268 V269 T270 A271 H345 G346 A348 M374 F376	L214-L318 HydrophobicContact CD1-CD1 4.02Å; W267-L318 HydrophobicContact CH2-CD1 4.47Å; A268-L318 HydrophobicContact CB-CD1 4.36Å; A268-L318 HydrophobicContact CB-CG 4.33Å; V269-L318 PolarHBondContact O-N 3.17Å; T270-L318 WeakPolarHBondContact CA-O 3.18Å; T270-L318 HydrophobicContact CG2-CB 4.17Å; T270-L318 HydrophobicContact CG2-CD1 4.42Å; A271-L318 PolarHBondContact N-O 3.3Å; L318-H345 HydrophobicContact CD2-CB 4.47Å; L318-G346 VanDerWaalsContact CA-O 3.3Å; L318-G346 WeakPolarHBondContact CA-O 3.49Å; L318-A348 HydrophobicContact CB-CB 4.04Å; L318-A348 HydrophobicContact CD1-CB 4.28Å; L318-M374 HydrophobicContact CD1-CE 4.35Å; L318-M374 HydrophobicContact CD2-CE 3.64Å; L318-M374 HydrophobicContact CD2-SD 4.21Å; L318-F376 HydrophobicContact CD1-CD1 4.28Å
319	M	98.9	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	173.4	175.2	66.7	169.6	-75.7	0	0	111.8	I299 D321 W330 V334 L335 V344 G346 I347 A348	I299-M319 HydrophobicContact CD1-CB 4.26Å; M319-D321 PolarHBondContact O-N 2.69Å; M319-D321 VanDerWaalsContact O-N 3.07Å; M319-W330 HydrophobicContact CE-CE3 3.61Å; M319-W330 HydrophobicContact CE-CZ3 4.12Å; M319-V334 HydrophobicContact CE-CB 3.57Å; M319-V334 HydrophobicContact CE-CG1 4.12Å; M319-V334 HydrophobicContact CE-CG2 3.54Å; M319-V334 HydrophobicContact SD-CB 3.84Å; M319-V334 HydrophobicContact SD-CG1 3.85Å; M319-V334 HydrophobicContact SD-CG2 4.38Å; M319-L335 HydrophobicContact SD-CD1 4.09Å; M319-L335 HydrophobicContact SD-CD2 3.83Å; M319-L335 HydrophobicContact SD-CG 3.77Å; M319-V344 HydrophobicContact CB-CG1 3.98Å; M319-V344 HydrophobicContact CB-CG2 4.36Å; M319-V344 HydrophobicContact CG-CG1 3.64Å; M319-V344 HydrophobicContact SD-CG1 3.94Å; M319-G346 WeakPolarHBondContact CG-O 3.42Å; M319-G346 PolarHBondContact N-O 3.12Å; M319-I347 HydrophobicContact CG-CB 4.26Å; M319-I347 HydrophobicContact CG-CG1 3.72Å; M319-I347 HydrophobicContact CG-CG2 4.47Å; M319-I347 HydrophobicContact SD-CG1 3.87Å; M319-A348 PolarHBondContact O-N 2.75Å
320	L	98.8	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68	-84.2	-179.5	-175.9	66.1	0	0	0	113.4	P275 D322 L326 L327 W330 I347 V349	P275-L320 WeakPolarHBondContact CD-O 3.25Å; P275-L320 VanDerWaalsContact CG-O 3.24Å; P275-L320 WeakPolarHBondContact CG-O 3.39Å; L320-D322 VanDerWaalsContact C-N 3.34Å; L320-D322 HydrophobicContact CD1-CB 3.67Å; L320-D322 HydrophobicContact CG-CB 3.92Å; L320-D322 PolarHBondContact O-N 3.03Å; L320-L326 HydrophobicContact CD1-CB 4.02Å; L320-L326 HydrophobicContact CD1-CD1 3.89Å; L320-L327 HydrophobicContact CD2-CD1 4.14Å; L320-L327 HydrophobicContact CD2-CD2 3.79Å; L320-L327 HydrophobicContact CD2-CG 3.72Å; L320-W330 HydrophobicContact CB-CE3 4.16Å; L320-W330 HydrophobicContact CB-CZ3 4.48Å; L320-W330 HydrophobicContact CD1-CB 4.01Å; L320-W330 HydrophobicContact CD1-CD2 3.56Å; L320-W330 HydrophobicContact CD1-CE3 3.88Å; L320-W330 HydrophobicContact CD1-CG 3.66Å; L320-I347 HydrophobicContact CB-CG2 3.88Å; L320-I347 HydrophobicContact CD2-CG2 3.83Å; L320-V349 HydrophobicContact CD2-CG1 4.11Å
321	D	98.8	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.5	49.7	-175.8	-159.1	43.5	0	0	0	112.6	R159 S216 T270 E272 E274 M319 A348 H350 S378	R159-D321 IonicContact CZ-OD2 2.67Å; R159-D321 IonicContact NH2-OD1 3.26Å; R159-D321 IonicContact NH2-OD2 2.78Å; R159-D321 PolarHBondContact NH2-OD2 3.22Å; S216-D321 PolarHBondContact OG-OD2 3.23Å; T270-D321 WeakPolarHBondContact CB-OD2 3.47Å; T270-D321 HydrophobicContact CG2-CB 3.94Å; T270-D321 VanDerWaalsContact CG2-CG 3.45Å; T270-D321 WeakPolarHBondContact CG2-OD2 3.35Å; T270-D321 PolarHBondContact OG1-OD2 3.34Å; E272-D321 WeakPolarHBondContact O-CB 3.12Å; E274-D321 WeakPolarHBondContact CA-O 3.1Å; E274-D321 PolarHBondContact N-O 3.38Å; M319-D321 PolarHBondContact O-N 2.69Å; M319-D321 VanDerWaalsContact O-N 3.07Å; D321-A348 WeakPolarHBondContact CA-O 3.17Å; D321-A348 HydrophobicContact CB-CB 3.71Å; D321-A348 PolarHBondContact N-O 3.05Å; D321-A348 WeakPolarHBondContact OD1-CB 3.21Å; D321-H350 PolarHBondContact O-CE1 3.38Å; D321-H350 VanDerWaalsContact O-CE1 3.32Å; D321-H350 PolarHBondContact O-NE2 3.18Å; D321-H350 IonicContact OD1-CD2 3.53Å; D321-H350 IonicContact OD1-NE2 2.63Å; D321-H350 PolarHBondContact OD1-NE2 3.2Å; D321-S378 WeakPolarHBondContact OD1-CB 3.33Å; D321-S378 PolarHBondContact OD1-OG 3.1Å
322	D	98.6	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	175.4	-168.9	-152.8	-28.8	0	0	0	110.1	E274 P275 S276 L320 R324 L326 V349 H350	E274-D322 VanDerWaalsContact C-OD2 3.29Å; E274-D322 WeakPolarHBondContact CA-OD2 3.37Å; P275-D322 HydrophobicContact CG-CB 4.46Å; S276-D322 WeakPolarHBondContact CB-OD2 3.45Å; S276-D322 PolarHBondContact N-OD2 2.99Å; S276-D322 VanDerWaalsContact OG-CG 3.31Å; S276-D322 PolarHBondContact OG-OD1 3.29Å; S276-D322 PolarHBondContact OG-OD2 3.44Å; L320-D322 VanDerWaalsContact C-N 3.34Å; L320-D322 HydrophobicContact CD1-CB 3.67Å; L320-D322 HydrophobicContact CG-CB 3.92Å; L320-D322 PolarHBondContact O-N 3.03Å; D322-R324 PolarHBondContact O-N 2.96Å; D322-L326 HydrophobicContact CB-CD1 3.81Å; D322-L326 VanDerWaalsContact CG-CD1 3.49Å; D322-V349 CarbonylContact O-C 3.59Å; D322-V349 WeakPolarHBondContact O-CA 3.21Å; D322-H350 PolarHBondContact O-N 2.59Å
323	Q	96.9	Very high	98.3	Very high	29 Å²	29	34.9 Å²	34.9	14%	0.136	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136	-170.9	-36	104.6	24.8	0	0	111.9	L325 L326 L353	Q323-L325 HydrophobicContact CB-CD2 3.82Å; Q323-L325 HydrophobicContact CB-CG 4.39Å; Q323-L325 PolarHBondContact O-N 3.17Å; Q323-L326 PolarHBondContact O-N 3.04Å; Q323-L326 VanDerWaalsContact O-N 3.12Å; Q323-L353 HydrophobicContact CB-CB 4.43Å; Q323-L353 HydrophobicContact CB-CD1 4.43Å; Q323-L353 HydrophobicContact CG-CD1 4Å; Q323-L353 HydrophobicContact CG-CG 4.31Å
324	R	95.8	Very high	98.3	Very high	14 Å²	14	29.9 Å²	29.9	5%	0.053	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-61.7	-8.9	-174.1	70.4	174.8	178.9	70.4	6.2	115.9	D322 L326 L327 V349 H350 D354 A357 T362 L363	D322-R324 PolarHBondContact O-N 2.96Å; R324-L326 PolarHBondContact O-N 3.32Å; R324-L327 WeakPolarHBondContact O-CB 3.39Å; R324-L327 PolarHBondContact O-N 2.85Å; R324-V349 HydrophobicContact CB-CB 4.37Å; R324-V349 HydrophobicContact CB-CG1 4.42Å; R324-H350 PolarHBondContact N-O 2.84Å; R324-D354 WeakPolarHBondContact CD-OD1 3.39Å; R324-D354 VanDerWaalsContact CZ-CG 3.45Å; R324-D354 IonicContact CZ-OD1 3.97Å; R324-D354 IonicContact CZ-OD2 3.26Å; R324-D354 VanDerWaalsContact CZ-OD2 3.24Å; R324-D354 IonicContact NE-OD1 2.77Å; R324-D354 PolarHBondContact NE-OD1 2.94Å; R324-D354 IonicContact NE-OD2 3.85Å; R324-D354 PolarHBondContact NE-OD2 2.97Å; R324-D354 PolarHBondContact NH2-O 2.92Å; R324-D354 IonicContact NH2-OD1 2.69Å; R324-D354 IonicContact NH2-OD2 2.96Å; R324-D354 PolarHBondContact NH2-OD2 3.45Å; R324-A357 VanDerWaalsContact CZ-O 3.26Å; R324-A357 PolarHBondContact NH1-O 3.3Å; R324-A357 PolarHBondContact NH2-O 3.42Å; R324-T362 WeakPolarHBondContact CD-OG1 3.29Å; R324-T362 PolarHBondContact NH1-OG1 2.88Å; R324-T362 WeakPolarHBondContact O-CB 3.28Å; R324-T362 WeakPolarHBondContact O-CG2 3.33Å; R324-L363 HydrophobicContact CB-CD2 4.2Å
325	L	96	Very high	98.3	Very high	70 Å²	70	26.2 Å²	26.2	37%	0.366	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-66.6	-20.1	173.9	75	105.3	0	0	0	113.7	Q323 L327 L353	Q323-L325 HydrophobicContact CB-CD2 3.82Å; Q323-L325 HydrophobicContact CB-CG 4.39Å; Q323-L325 PolarHBondContact O-N 3.17Å; L325-L327 PolarHBondContact O-N 2.55Å; L325-L353 HydrophobicContact CD2-CB 3.6Å; L325-L353 HydrophobicContact CD2-CD1 3.42Å; L325-L353 VanDerWaalsContact CD2-CD1 3.42Å; L325-L353 HydrophobicContact CD2-CG 4.14Å
326	L	97.6	Very high	98.3	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.199	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-73.9	-15.2	175.8	-63.1	172.4	0	0	0	112.2	L320 D322 Q323 R324 H329 W330	L320-L326 HydrophobicContact CD1-CB 4.02Å; L320-L326 HydrophobicContact CD1-CD1 3.89Å; D322-L326 HydrophobicContact CB-CD1 3.81Å; D322-L326 VanDerWaalsContact CG-CD1 3.49Å; Q323-L326 PolarHBondContact O-N 3.04Å; Q323-L326 VanDerWaalsContact O-N 3.12Å; R324-L326 PolarHBondContact O-N 3.32Å; L326-H329 PolarHBondContact O-N 3.48Å; L326-W330 HydrophobicContact CB-CB 4.37Å; L326-W330 HydrophobicContact CB-CG 4.28Å; L326-W330 WeakPolarHBondContact O-CB 3.44Å; L326-W330 PolarHBondContact O-N 3.12Å
327	L	98.3	Very high	98.3	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	145.1	174.1	-67.7	-179.9	0	0	0	111.9	L320 R324 L325 W330 A331 I347 V349 L363 T366	L320-L327 HydrophobicContact CD2-CD1 4.14Å; L320-L327 HydrophobicContact CD2-CD2 3.79Å; L320-L327 HydrophobicContact CD2-CG 3.72Å; R324-L327 WeakPolarHBondContact O-CB 3.39Å; R324-L327 PolarHBondContact O-N 2.85Å; L325-L327 PolarHBondContact O-N 2.55Å; L327-W330 HydrophobicContact CD2-CB 4.49Å; L327-A331 HydrophobicContact CD2-CB 3.72Å; L327-I347 HydrophobicContact CD1-CG2 4.27Å; L327-I347 HydrophobicContact CD2-CG2 4.17Å; L327-V349 HydrophobicContact CD1-CG1 3.63Å; L327-L363 HydrophobicContact CD1-CD2 4.19Å; L327-T366 WeakPolarHBondContact CB-OG1 3.17Å; L327-T366 HydrophobicContact CD1-CG2 4.36Å; L327-T366 HydrophobicContact CD2-CG2 4.11Å
328	P	98.1	Very high	98.3	Very high	25 Å²	25	31.1 Å²	31.1	16%	0.162	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.8	1.7	5.9	37.4	-39.8	0	0	0	114.3	W330 A331 K332 E365 L369	P328-W330 PolarHBondContact O-N 3.25Å; P328-A331 PolarHBondContact O-N 2.79Å; P328-K332 WeakPolarHBondContact O-CG 3.33Å; P328-K332 PolarHBondContact O-N 3.33Å; P328-E365 HydrophobicContact CB-CG 4.07Å; P328-E365 HydrophobicContact CG-CG 3.79Å; P328-L369 HydrophobicContact CB-CD1 3.98Å
329	H	98.7	Very high	98.3	Very high	107 Å²	107	35.9 Å²	35.9	50%	0.495	19%	0.189	S	C	.	.	H	α-helix	trans	-59.9	-49.1	-172.9	169.8	59.3	0	0	0	112.3	L326 A331 K332 V333	L326-H329 PolarHBondContact O-N 3.48Å; H329-A331 PolarHBondContact O-N 2.87Å; H329-K332 WeakPolarHBondContact O-CB 3.38Å; H329-K332 PolarHBondContact O-N 3.07Å; H329-K332 VanDerWaalsContact O-N 3.1Å; H329-V333 VanDerWaalsContact CE1-CG2 3.47Å; H329-V333 WeakPolarHBondContact CE1-CG2 3.37Å; H329-V333 PolarHBondContact O-N 2.95Å
330	W	98.8	Very high	98.3	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-45.6	179.1	-119	87.4	0	0	0	112.8	P275 P292 Q295 M319 L320 L326 L327 P328 K332 V333 V334	P275-W330 HydrophobicContact CB-CH2 4.28Å; P275-W330 HydrophobicContact CB-CZ2 4.1Å; P275-W330 HydrophobicContact CG-CH2 3.82Å; P275-W330 HydrophobicContact CG-CZ2 3.74Å; P292-W330 HydrophobicContact CB-CD2 3.69Å; P292-W330 HydrophobicContact CB-CE3 4.22Å; P292-W330 HydrophobicContact CB-CG 3.85Å; P292-W330 HydrophobicContact CB-CZ2 4.3Å; Q295-W330 HydrophobicContact CB-CH2 3.39Å; Q295-W330 HydrophobicContact CB-CZ2 4.39Å; Q295-W330 HydrophobicContact CB-CZ3 3.8Å; Q295-W330 VanDerWaalsContact CD-CZ3 3.43Å; Q295-W330 HydrophobicContact CG-CH2 3.88Å; Q295-W330 HydrophobicContact CG-CZ3 4.02Å; M319-W330 HydrophobicContact CE-CE3 3.61Å; M319-W330 HydrophobicContact CE-CZ3 4.12Å; L320-W330 HydrophobicContact CB-CE3 4.16Å; L320-W330 HydrophobicContact CB-CZ3 4.48Å; L320-W330 HydrophobicContact CD1-CB 4.01Å; L320-W330 HydrophobicContact CD1-CD2 3.56Å; L320-W330 HydrophobicContact CD1-CE3 3.88Å; L320-W330 HydrophobicContact CD1-CG 3.66Å; L326-W330 HydrophobicContact CB-CB 4.37Å; L326-W330 HydrophobicContact CB-CG 4.28Å; L326-W330 WeakPolarHBondContact O-CB 3.44Å; L326-W330 PolarHBondContact O-N 3.12Å; L327-W330 HydrophobicContact CD2-CB 4.49Å; P328-W330 PolarHBondContact O-N 3.25Å; W330-K332 PolarHBondContact O-N 3.08Å; W330-V333 PolarHBondContact O-N 3.26Å; W330-V334 HydrophobicContact CE3-CG2 4.09Å; W330-V334 HydrophobicContact CZ3-CG2 4.12Å; W330-V334 PolarHBondContact O-N 2.88Å
331	A	98.8	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-41.1	175	0	0	0	0	0	112.2	L327 P328 H329 L335 I347 T366 F370	L327-A331 HydrophobicContact CD2-CB 3.72Å; P328-A331 PolarHBondContact O-N 2.79Å; H329-A331 PolarHBondContact O-N 2.87Å; A331-L335 HydrophobicContact CB-CD1 4.28Å; A331-L335 WeakPolarHBondContact O-CB 3.24Å; A331-L335 WeakPolarHBondContact O-CG 3.3Å; A331-L335 PolarHBondContact O-N 3.1Å; A331-I347 HydrophobicContact CB-CD1 3.8Å; A331-T366 HydrophobicContact CB-CG2 3.72Å; A331-F370 HydrophobicContact CB-CD2 4.03Å; A331-F370 HydrophobicContact CB-CE2 3.98Å
332	K	98.8	Very high	98.3	Very high	84 Å²	84	42.7 Å²	42.7	37%	0.365	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-52.5	175.7	-71.1	172.8	-177.2	179.9	0	111.4	P328 H329 W330 V334 T336 L369 F370	P328-K332 WeakPolarHBondContact O-CG 3.33Å; P328-K332 PolarHBondContact O-N 3.33Å; H329-K332 WeakPolarHBondContact O-CB 3.38Å; H329-K332 PolarHBondContact O-N 3.07Å; H329-K332 VanDerWaalsContact O-N 3.1Å; W330-K332 PolarHBondContact O-N 3.08Å; K332-V334 VanDerWaalsContact C-N 3.34Å; K332-V334 PolarHBondContact O-N 3.46Å; K332-T336 WeakPolarHBondContact O-CB 3.34Å; K332-T336 WeakPolarHBondContact O-CG2 3.34Å; K332-T336 PolarHBondContact O-N 3.14Å; K332-T336 PolarHBondContact O-OG1 3.05Å; K332-L369 HydrophobicContact CD-CD1 4.4Å; K332-L369 HydrophobicContact CG-CD1 4.26Å; K332-F370 HydrophobicContact CG-CE2 4.22Å; K332-F370 HydrophobicContact CG-CZ 4.45Å
333	V	98.9	Very high	98.3	Very high	21 Å²	21	45.8 Å²	45.8	13%	0.127	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-41.6	-175	174.4	0	0	0	0	112.4	P292 E293 R296 H329 W330	P292-V333 HydrophobicContact CB-CB 3.84Å; P292-V333 HydrophobicContact CB-CG1 3.81Å; P292-V333 HydrophobicContact CB-CG2 4.22Å; P292-V333 HydrophobicContact CG-CB 4.38Å; P292-V333 HydrophobicContact CG-CG1 4.31Å; P292-V333 HydrophobicContact CG-CG2 4.25Å; E293-V333 HydrophobicContact CB-CG1 4.45Å; E293-V333 HydrophobicContact CG-CG1 3.91Å; R296-V333 WeakPolarHBondContact CD-O 3.44Å; H329-V333 VanDerWaalsContact CE1-CG2 3.47Å; H329-V333 WeakPolarHBondContact CE1-CG2 3.37Å; H329-V333 PolarHBondContact O-N 2.95Å; W330-V333 PolarHBondContact O-N 3.26Å
334	V	98.9	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-80.2	-46.4	-179.6	-177.5	0	0	0	0	112.1	R296 I299 M319 W330 K332 D337 A340 V344	R296-V334 HydrophobicContact CB-CB 4.41Å; R296-V334 HydrophobicContact CB-CG1 4.48Å; R296-V334 HydrophobicContact CB-CG2 4.07Å; I299-V334 HydrophobicContact CD1-CG1 4.5Å; M319-V334 HydrophobicContact CE-CB 3.57Å; M319-V334 HydrophobicContact CE-CG1 4.12Å; M319-V334 HydrophobicContact CE-CG2 3.54Å; M319-V334 HydrophobicContact SD-CB 3.84Å; M319-V334 HydrophobicContact SD-CG1 3.85Å; M319-V334 HydrophobicContact SD-CG2 4.38Å; W330-V334 HydrophobicContact CE3-CG2 4.09Å; W330-V334 HydrophobicContact CZ3-CG2 4.12Å; W330-V334 PolarHBondContact O-N 2.88Å; K332-V334 VanDerWaalsContact C-N 3.34Å; K332-V334 PolarHBondContact O-N 3.46Å; V334-D337 PolarHBondContact O-N 2.93Å; V334-A340 HydrophobicContact CG1-CB 4.02Å; V334-V344 HydrophobicContact CG1-CG2 4.18Å
335	L	98.8	Very high	98.5	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-88	-10.8	-168.6	-57.6	175.1	0	0	0	114.7	M319 A331 D337 A341 V344 I347 F370 T373	M319-L335 HydrophobicContact SD-CD1 4.09Å; M319-L335 HydrophobicContact SD-CD2 3.83Å; M319-L335 HydrophobicContact SD-CG 3.77Å; A331-L335 HydrophobicContact CB-CD1 4.28Å; A331-L335 WeakPolarHBondContact O-CB 3.24Å; A331-L335 WeakPolarHBondContact O-CG 3.3Å; A331-L335 PolarHBondContact O-N 3.1Å; L335-D337 VanDerWaalsContact C-N 3.29Å; L335-A341 HydrophobicContact CD2-CB 4.29Å; L335-V344 HydrophobicContact CD2-CB 3.89Å; L335-V344 HydrophobicContact CD2-CG1 3.9Å; L335-V344 HydrophobicContact CD2-CG2 4.33Å; L335-I347 HydrophobicContact CD1-CD1 3.97Å; L335-I347 HydrophobicContact CD1-CG1 4.39Å; L335-F370 HydrophobicContact CB-CD1 3.75Å; L335-F370 HydrophobicContact CB-CE1 3.51Å; L335-F370 HydrophobicContact CB-CE2 4.35Å; L335-F370 HydrophobicContact CB-CG 4.28Å; L335-F370 HydrophobicContact CB-CZ 3.84Å; L335-F370 HydrophobicContact CD1-CB 4.02Å; L335-F370 HydrophobicContact CD1-CD1 3.95Å; L335-F370 HydrophobicContact CD1-CD2 3.91Å; L335-F370 HydrophobicContact CD1-CE1 4.42Å; L335-F370 HydrophobicContact CD1-CE2 4.38Å; L335-F370 HydrophobicContact CD1-CG 3.67Å; L335-T373 HydrophobicContact CD1-CG2 3.88Å; L335-T373 HydrophobicContact CD2-CG2 4.48Å
336	T	98.7	Very high	98.7	Very high	103 Å²	103	44.5 Å²	44.5	63%	0.632	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.2	167.6	61.2	0	0	0	0	113.2	K332 F370	K332-T336 WeakPolarHBondContact O-CB 3.34Å; K332-T336 WeakPolarHBondContact O-CG2 3.34Å; K332-T336 PolarHBondContact O-N 3.14Å; K332-T336 PolarHBondContact O-OG1 3.05Å; T336-F370 HydrophobicContact CG2-CZ 4.19Å
337	D	98.8	Very high	98.7	Very high	43 Å²	43	42.7 Å²	42.7	23%	0.23	22%	0.22	C	C	.	.	S	Bend	trans	-89.7	113.8	169.7	-173.9	-27.6	0	0	0	109.4	R296 V334 L335 E339 A340 A341	R296-D337 WeakPolarHBondContact CD-OD2 3.4Å; R296-D337 HydrophobicContact CG-CB 3.95Å; R296-D337 IonicContact NE-OD2 3.76Å; V334-D337 PolarHBondContact O-N 2.93Å; L335-D337 VanDerWaalsContact C-N 3.29Å; D337-E339 PolarHBondContact O-N 2.76Å; D337-E339 WeakPolarHBondContact OD1-CB 3.35Å; D337-E339 PolarHBondContact OD1-N 3.38Å; D337-A340 HydrophobicContact CB-CB 4.41Å; D337-A340 PolarHBondContact O-N 2.82Å; D337-A341 VanDerWaalsContact O-CB 3.23Å; D337-A341 WeakPolarHBondContact O-CB 3.43Å; D337-A341 PolarHBondContact O-N 2.86Å
338	P	98.6	Very high	98.8	Very high	90 Å²	90	42.3 Å²	42.3	58%	0.584	22%	0.218	S	C	*	.	H	α-helix	trans	-64.6	-25.6	-177.9	28	-35.1	0	0	0	113.1	K342	P338-K342 WeakPolarHBondContact O-CG 3.24Å; P338-K342 PolarHBondContact O-N 3.1Å
339	E	98.7	Very high	98.8	Very high	100 Å²	100	41.2 Å²	41.2	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-75.9	-28.2	-178.3	-64.6	-62.9	96.4	0	0	112.1	A300 D337 K342 Y343	A300-E339 HydrophobicContact CB-CB 4.14Å; D337-E339 PolarHBondContact O-N 2.76Å; D337-E339 WeakPolarHBondContact OD1-CB 3.35Å; D337-E339 PolarHBondContact OD1-N 3.38Å; E339-K342 WeakPolarHBondContact O-CE 3.49Å; E339-K342 IonicContact OE1-NZ 3.77Å; E339-K342 PolarHBondContact OE1-NZ 3.05Å; E339-K342 IonicContact OE2-NZ 3.66Å; E339-K342 PolarHBondContact OE2-NZ 2.74Å; E339-Y343 VanDerWaalsContact O-CD2 3.27Å; E339-Y343 WeakPolarHBondContact O-CD2 3.12Å; E339-Y343 WeakPolarHBondContact O-CE2 3.22Å
340	A	98.8	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-83.4	-47.6	166.9	0	0	0	0	0	111.5	R296 I299 A300 V334 D337 K342 Y343 V344	R296-A340 HydrophobicContact CG-CB 3.76Å; I299-A340 HydrophobicContact CG2-CB 4.36Å; A300-A340 HydrophobicContact CB-CB 4.12Å; V334-A340 HydrophobicContact CG1-CB 4.02Å; D337-A340 HydrophobicContact CB-CB 4.41Å; D337-A340 PolarHBondContact O-N 2.82Å; A340-K342 VanDerWaalsContact C-N 3.26Å; A340-K342 PolarHBondContact O-N 3.43Å; A340-K342 VanDerWaalsContact O-N 3.16Å; A340-Y343 PolarHBondContact O-N 3.33Å; A340-V344 PolarHBondContact O-N 3.46Å
341	A	98.8	Very high	98.3	Very high	31 Å²	31	38.4 Å²	38.4	26%	0.256	20%	0.196	S	C	.	.	H	α-helix	trans	-57.9	-34.2	-172.1	0	0	0	0	0	113.6	L335 D337 Y343 V344	L335-A341 HydrophobicContact CD2-CB 4.29Å; D337-A341 VanDerWaalsContact O-CB 3.23Å; D337-A341 WeakPolarHBondContact O-CB 3.43Å; D337-A341 PolarHBondContact O-N 2.86Å; A341-Y343 PolarHBondContact O-N 3.45Å; A341-V344 PolarHBondContact O-N 3.4Å
342	K	98.7	Very high	97.5	Very high	111 Å²	111	40.5 Å²	40.5	48%	0.483	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.8	177.4	69.5	-170.3	177	-168.4	0	114.6	P338 E339 A340	P338-K342 WeakPolarHBondContact O-CG 3.24Å; P338-K342 PolarHBondContact O-N 3.1Å; E339-K342 WeakPolarHBondContact O-CE 3.49Å; E339-K342 IonicContact OE1-NZ 3.77Å; E339-K342 PolarHBondContact OE1-NZ 3.05Å; E339-K342 IonicContact OE2-NZ 3.66Å; E339-K342 PolarHBondContact OE2-NZ 2.74Å; A340-K342 VanDerWaalsContact C-N 3.26Å; A340-K342 PolarHBondContact O-N 3.43Å; A340-K342 VanDerWaalsContact O-N 3.16Å
343	Y	98.9	Very high	96.3	Very high	66 Å²	66	39.3 Å²	39.3	26%	0.259	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-20.1	177.6	-62.3	-64.7	0	0	0	113.3	G304 P305 A308 E339 A340 A341	G304-Y343 VanDerWaalsContact C-CE1 3.45Å; G304-Y343 VanDerWaalsContact CA-CG 3.43Å; G304-Y343 WeakPolarHBondContact O-CE1 3.4Å; P305-Y343 HydrophobicContact CG-CE2 3.99Å; A308-Y343 HydrophobicContact CB-CE1 3.98Å; E339-Y343 VanDerWaalsContact O-CD2 3.27Å; E339-Y343 WeakPolarHBondContact O-CD2 3.12Å; E339-Y343 WeakPolarHBondContact O-CE2 3.22Å; A340-Y343 PolarHBondContact O-N 3.33Å; A341-Y343 PolarHBondContact O-N 3.45Å
344	V	98.9	Very high	95.5	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.079	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.9	-175.7	-179.5	0	0	0	0	111.1	I299 M319 V334 L335 A340 A341 G346 T373	I299-V344 HydrophobicContact CD1-CG2 4.06Å; I299-V344 HydrophobicContact CG2-CG2 4.01Å; M319-V344 HydrophobicContact CB-CG1 3.98Å; M319-V344 HydrophobicContact CB-CG2 4.36Å; M319-V344 HydrophobicContact CG-CG1 3.64Å; M319-V344 HydrophobicContact SD-CG1 3.94Å; V334-V344 HydrophobicContact CG1-CG2 4.18Å; L335-V344 HydrophobicContact CD2-CB 3.89Å; L335-V344 HydrophobicContact CD2-CG1 3.9Å; L335-V344 HydrophobicContact CD2-CG2 4.33Å; A340-V344 PolarHBondContact O-N 3.46Å; A341-V344 PolarHBondContact O-N 3.4Å; V344-G346 VanDerWaalsContact CG1-O 3.26Å; V344-G346 WeakPolarHBondContact CG1-O 3.29Å; V344-T373 HydrophobicContact CG1-CG2 4.42Å
345	H	98.8	Very high	94.6	Very high	72 Å²	72	46.5 Å²	46.5	33%	0.333	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-33	176.1	-179.6	57	0	0	0	113	R316 L317 L318	R316-H345 HydrophobicContact CB-CB 3.83Å; R316-H345 HydrophobicContact CG-CB 4.33Å; L317-H345 PolarHBondContact O-N 3.15Å; L318-H345 HydrophobicContact CD2-CB 4.47Å
346	G	98.9	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	176	-172.8	0	0	0	0	0	113.2	L318 M319 V344 M374	L318-G346 VanDerWaalsContact CA-O 3.3Å; L318-G346 WeakPolarHBondContact CA-O 3.49Å; M319-G346 WeakPolarHBondContact CG-O 3.42Å; M319-G346 PolarHBondContact N-O 3.12Å; V344-G346 VanDerWaalsContact CG1-O 3.26Å; V344-G346 WeakPolarHBondContact CG1-O 3.29Å; G346-M374 CarbonylContact C-O 3.55Å; G346-M374 WeakPolarHBondContact CA-O 3.33Å
347	I	98.9	Very high	92.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.4	178.3	-58.2	160	0	0	0	107.3	M319 L320 L327 A331 L335 V349 T366 T373 M374 L375 F376	M319-I347 HydrophobicContact CG-CB 4.26Å; M319-I347 HydrophobicContact CG-CG1 3.72Å; M319-I347 HydrophobicContact CG-CG2 4.47Å; M319-I347 HydrophobicContact SD-CG1 3.87Å; L320-I347 HydrophobicContact CB-CG2 3.88Å; L320-I347 HydrophobicContact CD2-CG2 3.83Å; L327-I347 HydrophobicContact CD1-CG2 4.27Å; L327-I347 HydrophobicContact CD2-CG2 4.17Å; A331-I347 HydrophobicContact CB-CD1 3.8Å; L335-I347 HydrophobicContact CD1-CD1 3.97Å; L335-I347 HydrophobicContact CD1-CG1 4.39Å; I347-V349 HydrophobicContact CG2-CG1 4.19Å; I347-T366 HydrophobicContact CD1-CG2 3.47Å; I347-T366 VanDerWaalsContact CD1-CG2 3.47Å; I347-T373 HydrophobicContact CD1-CG2 4.2Å; I347-T373 HydrophobicContact CG1-CG2 3.99Å; I347-M374 PolarHBondContact N-O 3.04Å; I347-L375 HydrophobicContact CB-CD2 3.95Å; I347-L375 HydrophobicContact CD1-CD2 3.89Å; I347-L375 HydrophobicContact CG1-CD2 4.49Å; I347-L375 HydrophobicContact CG2-CD2 4.38Å; I347-F376 PolarHBondContact O-N 2.56Å
348	A	98.9	Very high	91.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	140.1	173.5	0	0	0	0	0	110.1	T270 L318 M319 D321 F376	T270-A348 HydrophobicContact CG2-CB 4.09Å; L318-A348 HydrophobicContact CB-CB 4.04Å; L318-A348 HydrophobicContact CD1-CB 4.28Å; M319-A348 PolarHBondContact O-N 2.75Å; D321-A348 WeakPolarHBondContact CA-O 3.17Å; D321-A348 HydrophobicContact CB-CB 3.71Å; D321-A348 PolarHBondContact N-O 3.05Å; D321-A348 WeakPolarHBondContact OD1-CB 3.21Å; A348-F376 CarbonylContact C-O 3.53Å; A348-F376 VanDerWaalsContact CA-O 3.29Å; A348-F376 WeakPolarHBondContact CA-O 3.47Å
349	V	98.7	Very high	91.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.6	-176.1	-65.7	0	0	0	0	113.5	L320 D322 R324 L327 I347 L363 F376 A377 S378	L320-V349 HydrophobicContact CD2-CG1 4.11Å; D322-V349 CarbonylContact O-C 3.59Å; D322-V349 WeakPolarHBondContact O-CA 3.21Å; R324-V349 HydrophobicContact CB-CB 4.37Å; R324-V349 HydrophobicContact CB-CG1 4.42Å; L327-V349 HydrophobicContact CD1-CG1 3.63Å; I347-V349 HydrophobicContact CG2-CG1 4.19Å; V349-L363 HydrophobicContact CG1-CD2 4.11Å; V349-L363 HydrophobicContact CG2-CD2 4.12Å; V349-F376 WeakPolarHBondContact CG2-O 3.45Å; V349-F376 PolarHBondContact N-O 2.8Å; V349-A377 HydrophobicContact CG2-CB 4.28Å; V349-A377 WeakPolarHBondContact O-CA 3.37Å; V349-S378 PolarHBondContact O-N 3.02Å
350	H	97.5	Very high	91.6	Very high	3 Å²	3	48 Å²	48	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	154.7	176.3	-62.6	-168.7	0	0	0	111.8	E274 D321 D322 R324 Y352 S378 E379	E274-H350 WeakPolarHBondContact CG-ND1 3.4Å; E274-H350 IonicContact OE1-CE1 3.65Å; E274-H350 IonicContact OE1-CG 2.76Å; E274-H350 IonicContact OE1-ND1 3.48Å; E274-H350 PolarHBondContact OE1-ND1 2.93Å; D321-H350 PolarHBondContact O-CE1 3.38Å; D321-H350 VanDerWaalsContact O-CE1 3.32Å; D321-H350 PolarHBondContact O-NE2 3.18Å; D321-H350 IonicContact OD1-CD2 3.53Å; D321-H350 IonicContact OD1-NE2 2.63Å; D321-H350 PolarHBondContact OD1-NE2 3.2Å; D322-H350 PolarHBondContact O-N 2.59Å; R324-H350 PolarHBondContact N-O 2.84Å; H350-Y352 HydrophobicContact CB-CD2 4.31Å; H350-Y352 HydrophobicContact CB-CE2 4.48Å; H350-S378 PolarHBondContact CD2-OG 3.49Å; H350-S378 VanDerWaalsContact CD2-OG 3.27Å; H350-S378 PolarHBondContact NE2-OG 3.41Å; H350-E379 WeakPolarHBondContact CA-O 3.4Å; H350-E379 IonicContact CE1-OE2 3.12Å; H350-E379 PolarHBondContact CE1-OE2 3.42Å; H350-E379 IonicContact ND1-OE2 2.86Å; H350-E379 PolarHBondContact ND1-OE2 3.32Å; H350-E379 IonicContact NE2-OE2 2.79Å
351	W	89.6	Confident	91.5	Very high	51 Å²	51	50.6 Å²	50.6	19%	0.193	26%	0.258	C	S	.	.			trans	-99.1	-12.4	-167.9	-176.1	73.5	0	0	0	116.2	L353 D354 A380 V382 Q401 S405	W351-L353 VanDerWaalsContact C-N 3.27Å; W351-L353 PolarHBondContact O-N 3.48Å; W351-D354 WeakPolarHBondContact CA-OD1 3.27Å; W351-D354 HydrophobicContact CG-CB 4.42Å; W351-D354 PolarHBondContact NE1-OD2 3.37Å; W351-D354 VanDerWaalsContact NE1-OD2 3.1Å; W351-D354 WeakPolarHBondContact O-CB 3.39Å; W351-D354 PolarHBondContact O-N 3.12Å; W351-D354 VanDerWaalsContact O-N 3.09Å; W351-D354 VanDerWaalsContact O-OD1 3.12Å; W351-A380 HydrophobicContact CB-CB 3.78Å; W351-A380 HydrophobicContact CG-CB 4.4Å; W351-V382 HydrophobicContact CH2-CG1 4.43Å; W351-V382 HydrophobicContact CZ3-CG1 3.95Å; W351-Q401 HydrophobicContact CH2-CB 4.39Å; W351-S405 PolarHBondContact NE1-OG 2.86Å; W351-S405 VanDerWaalsContact NE1-OG 3.17Å
352	Y	81.2	Confident	91.5	Very high	45 Å²	45	49.3 Å²	49.3	18%	0.176	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.9	-161	-60.3	-55.5	0	0	0	117.2	H350 E379 C381	H350-Y352 HydrophobicContact CB-CD2 4.31Å; H350-Y352 HydrophobicContact CB-CE2 4.48Å; Y352-E379 HydrophobicContact CE2-CG 4.02Å; Y352-E379 WeakPolarHBondContact CE2-OE1 3.36Å; Y352-E379 VanDerWaalsContact CZ-OE1 3.26Å; Y352-E379 VanDerWaalsContact OH-CG 3.25Å; Y352-E379 WeakPolarHBondContact OH-CG 3.5Å; Y352-E379 PolarHBondContact OH-OE1 3.08Å; Y352-C381 HydrophobicContact CE1-CB 4.2Å; Y352-C381 VanDerWaalsContact CE1-N 3.31Å; Y352-C381 WeakPolarHBondContact CE1-SG 3.45Å; Y352-C381 PolarHBondContact OH-N 3.48Å; Y352-C381 PolarHBondContact OH-SG 3.38Å
353	L	75.1	Confident	91.5	Very high	58 Å²	58	44 Å²	44	30%	0.304	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	21.2	-176.3	-62.9	179.3	0	0	0	112.4	Q323 L325 W351 F355 L356	Q323-L353 HydrophobicContact CB-CB 4.43Å; Q323-L353 HydrophobicContact CB-CD1 4.43Å; Q323-L353 HydrophobicContact CG-CD1 4Å; Q323-L353 HydrophobicContact CG-CG 4.31Å; L325-L353 HydrophobicContact CD2-CB 3.6Å; L325-L353 HydrophobicContact CD2-CD1 3.42Å; L325-L353 VanDerWaalsContact CD2-CD1 3.42Å; L325-L353 HydrophobicContact CD2-CG 4.14Å; W351-L353 VanDerWaalsContact C-N 3.27Å; W351-L353 PolarHBondContact O-N 3.48Å; L353-F355 HydrophobicContact CD2-CE1 3.96Å; L353-F355 HydrophobicContact CD2-CZ 4.04Å; L353-F355 PolarHBondContact O-N 3.01Å; L353-L356 HydrophobicContact CB-CD1 4.1Å; L353-L356 HydrophobicContact CD2-CD1 4.36Å; L353-L356 WeakPolarHBondContact O-CB 3.24Å; L353-L356 PolarHBondContact O-N 3.28Å
354	D	81.1	Confident	91.4	Very high	25 Å²	25	41.5 Å²	41.5	13%	0.134	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-54.4	-27.1	-177.6	-103.4	44.9	0	0	0	115.2	R324 W351 L356	R324-D354 WeakPolarHBondContact CD-OD1 3.39Å; R324-D354 VanDerWaalsContact CZ-CG 3.45Å; R324-D354 IonicContact CZ-OD1 3.97Å; R324-D354 IonicContact CZ-OD2 3.26Å; R324-D354 VanDerWaalsContact CZ-OD2 3.24Å; R324-D354 IonicContact NE-OD1 2.77Å; R324-D354 PolarHBondContact NE-OD1 2.94Å; R324-D354 IonicContact NE-OD2 3.85Å; R324-D354 PolarHBondContact NE-OD2 2.97Å; R324-D354 PolarHBondContact NH2-O 2.92Å; R324-D354 IonicContact NH2-OD1 2.69Å; R324-D354 IonicContact NH2-OD2 2.96Å; R324-D354 PolarHBondContact NH2-OD2 3.45Å; W351-D354 WeakPolarHBondContact CA-OD1 3.27Å; W351-D354 HydrophobicContact CG-CB 4.42Å; W351-D354 PolarHBondContact NE1-OD2 3.37Å; W351-D354 VanDerWaalsContact NE1-OD2 3.1Å; W351-D354 WeakPolarHBondContact O-CB 3.39Å; W351-D354 PolarHBondContact O-N 3.12Å; W351-D354 VanDerWaalsContact O-N 3.09Å; W351-D354 VanDerWaalsContact O-OD1 3.12Å; D354-L356 PolarHBondContact O-N 3.4Å
355	F	79.7	Confident	91.4	Very high	147 Å²	147	43.5 Å²	43.5	65%	0.645	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-71.6	-14.6	178.1	64.2	-87.9	0	0	0	113.6	L353	L353-F355 HydrophobicContact CD2-CE1 3.96Å; L353-F355 HydrophobicContact CD2-CZ 4.04Å; L353-F355 PolarHBondContact O-N 3.01Å
356	L	71.9	Confident	91.4	Very high	111 Å²	111	40.1 Å²	40.1	58%	0.581	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-83.6	-20.2	179.8	-63	-178.6	0	0	0	113.7	L353 D354	L353-L356 HydrophobicContact CB-CD1 4.1Å; L353-L356 HydrophobicContact CD2-CD1 4.36Å; L353-L356 WeakPolarHBondContact O-CB 3.24Å; L353-L356 PolarHBondContact O-N 3.28Å; D354-L356 PolarHBondContact O-N 3.4Å
357	A	78.2	Confident	91.4	Very high	24 Å²	24	42.2 Å²	42.2	20%	0.198	22%	0.221	C	C	.	.	S	Bend	trans	-149.6	139.3	-178	0	0	0	0	0	112.3	R324 T362	R324-A357 VanDerWaalsContact CZ-O 3.26Å; R324-A357 PolarHBondContact NH1-O 3.3Å; R324-A357 PolarHBondContact NH2-O 3.42Å; A357-T362 HydrophobicContact CB-CG2 3.95Å
358	P	90.7	Very high	91.4	Very high	95 Å²	95	49.6 Å²	49.6	62%	0.617	25%	0.249	S	C	*	.			trans	-70.5	139.1	172.8	29.6	-34.1	0	0	0	111.3	K360 A361	P358-K360 PolarHBondContact O-N 3.18Å; P358-A361 HydrophobicContact CG-CB 4.21Å; P358-A361 PolarHBondContact O-N 3.42Å
359	A	95.2	Very high	91.4	Very high	7 Å²	7	52.2 Å²	52.2	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-25.8	-176.1	0	0	0	0	0	114.8	A361 T362 L363 G364 T408 Y412	A359-A361 VanDerWaalsContact C-N 3.34Å; A359-A361 PolarHBondContact O-N 2.93Å; A359-T362 PolarHBondContact O-N 3.28Å; A359-L363 HydrophobicContact CB-CD1 4.25Å; A359-L363 WeakPolarHBondContact O-CB 3.33Å; A359-L363 PolarHBondContact O-N 3.08Å; A359-G364 PolarHBondContact O-N 3.36Å; A359-G364 VanDerWaalsContact O-N 3.1Å; A359-T408 HydrophobicContact CB-CG2 3.73Å; A359-Y412 HydrophobicContact CB-CD2 3.47Å; A359-Y412 VanDerWaalsContact CB-CD2 3.47Å; A359-Y412 HydrophobicContact CB-CE2 3.78Å; A359-Y412 HydrophobicContact CB-CG 4.04Å
360	K	96.1	Very high	91.4	Very high	148 Å²	148	53.8 Å²	53.8	64%	0.643	27%	0.27	S	S	*	.	I	π-helix	trans	-60	-40.9	173.1	-167.8	-176.9	-179.8	-166.8	0	112.9	P358 T362 G364 E365 Y412	P358-K360 PolarHBondContact O-N 3.18Å; K360-T362 VanDerWaalsContact C-N 3.29Å; K360-T362 PolarHBondContact O-N 3.23Å; K360-G364 WeakPolarHBondContact O-CA 3.32Å; K360-E365 PolarHBondContact O-N 3.33Å; K360-Y412 VanDerWaalsContact CA-CE1 3.47Å; K360-Y412 HydrophobicContact CB-CE1 3.64Å; K360-Y412 HydrophobicContact CG-CE1 3.97Å
361	A	96.5	Very high	91.4	Very high	53 Å²	53	57 Å²	57	44%	0.438	29%	0.291	S	S	.	.	I	π-helix	trans	-75.5	-20	-176.9	0	0	0	0	0	112.9	P358 A359	P358-A361 HydrophobicContact CG-CB 4.21Å; P358-A361 PolarHBondContact O-N 3.42Å; A359-A361 VanDerWaalsContact C-N 3.34Å; A359-A361 PolarHBondContact O-N 2.93Å
362	T	98	Very high	91.8	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.025	32%	0.322	C	S	.	.	I	π-helix	trans	-108.1	-71	-178	65.5	0	0	0	0	111.5	R324 A357 A359 K360 T366	R324-T362 WeakPolarHBondContact CD-OG1 3.29Å; R324-T362 PolarHBondContact NH1-OG1 2.88Å; R324-T362 WeakPolarHBondContact O-CB 3.28Å; R324-T362 WeakPolarHBondContact O-CG2 3.33Å; A357-T362 HydrophobicContact CB-CG2 3.95Å; A359-T362 PolarHBondContact O-N 3.28Å; K360-T362 VanDerWaalsContact C-N 3.29Å; K360-T362 PolarHBondContact O-N 3.23Å; T362-T366 VanDerWaalsContact O-CB 3.27Å; T362-T366 WeakPolarHBondContact O-CB 3.38Å; T362-T366 PolarHBondContact O-N 2.84Å; T362-T366 PolarHBondContact O-OG1 3.23Å
363	L	98.2	Very high	92.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-69.7	-47.6	-177.4	-57.1	178	0	0	0	111.2	R324 L327 V349 A359 T366 H367 L375 V414	R324-L363 HydrophobicContact CB-CD2 4.2Å; L327-L363 HydrophobicContact CD1-CD2 4.19Å; V349-L363 HydrophobicContact CG1-CD2 4.11Å; V349-L363 HydrophobicContact CG2-CD2 4.12Å; A359-L363 HydrophobicContact CB-CD1 4.25Å; A359-L363 WeakPolarHBondContact O-CB 3.33Å; A359-L363 PolarHBondContact O-N 3.08Å; L363-T366 PolarHBondContact O-N 2.86Å; L363-H367 PolarHBondContact O-N 2.97Å; L363-L375 HydrophobicContact CB-CD1 4.01Å; L363-L375 HydrophobicContact CD2-CD1 4.23Å; L363-L375 WeakPolarHBondContact O-CD1 3.22Å; L363-V414 HydrophobicContact CD1-CG2 3.88Å; L363-V414 HydrophobicContact CD2-CG2 4.47Å
364	G	97.7	Very high	93.8	Very high	14 Å²	14	59.8 Å²	59.8	14%	0.144	31%	0.313	C	S	.	.	I	π-helix	trans	-61	-48.2	-180	0	0	0	0	0	113	A359 K360 H367 R368	A359-G364 PolarHBondContact O-N 3.36Å; A359-G364 VanDerWaalsContact O-N 3.1Å; K360-G364 WeakPolarHBondContact O-CA 3.32Å; G364-H367 PolarHBondContact O-N 2.91Å; G364-R368 WeakPolarHBondContact O-CB 3.27Å; G364-R368 PolarHBondContact O-N 2.96Å
365	E	98.4	Very high	94.6	Very high	54 Å²	54	58.7 Å²	58.7	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-36.3	176.9	179.4	60.6	-173.2	0	0	112.6	P328 K360 R368 L369	P328-E365 HydrophobicContact CB-CG 4.07Å; P328-E365 HydrophobicContact CG-CG 3.79Å; K360-E365 PolarHBondContact O-N 3.33Å; E365-R368 PolarHBondContact O-N 2.86Å; E365-R368 IonicContact OE1-CZ 3.54Å; E365-R368 IonicContact OE1-NE 3.49Å; E365-R368 IonicContact OE1-NH2 3.65Å; E365-R368 PolarHBondContact OE1-NH2 2.76Å; E365-R368 IonicContact OE2-CZ 3.47Å; E365-R368 IonicContact OE2-NE 3.59Å; E365-R368 PolarHBondContact OE2-NE 3.4Å; E365-R368 IonicContact OE2-NH2 2.7Å; E365-R368 PolarHBondContact OE2-NH2 2.83Å; E365-L369 HydrophobicContact CG-CD1 4.15Å; E365-L369 WeakPolarHBondContact O-CD1 3.32Å; E365-L369 VanDerWaalsContact O-CG 3.32Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 2.94Å; E365-L369 VanDerWaalsContact O-N 3.1Å
366	T	98.8	Very high	95.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-45.8	175.8	-58.8	0	0	0	0	111.5	L327 A331 I347 T362 L363 R368 L369 F370 L375	L327-T366 WeakPolarHBondContact CB-OG1 3.17Å; L327-T366 HydrophobicContact CD1-CG2 4.36Å; L327-T366 HydrophobicContact CD2-CG2 4.11Å; A331-T366 HydrophobicContact CB-CG2 3.72Å; I347-T366 HydrophobicContact CD1-CG2 3.47Å; I347-T366 VanDerWaalsContact CD1-CG2 3.47Å; T362-T366 VanDerWaalsContact O-CB 3.27Å; T362-T366 WeakPolarHBondContact O-CB 3.38Å; T362-T366 PolarHBondContact O-N 2.84Å; T362-T366 PolarHBondContact O-OG1 3.23Å; L363-T366 PolarHBondContact O-N 2.86Å; T366-R368 VanDerWaalsContact C-N 3.3Å; T366-R368 PolarHBondContact O-N 3.27Å; T366-L369 PolarHBondContact O-N 3.41Å; T366-F370 PolarHBondContact O-N 2.84Å; T366-L375 HydrophobicContact CG2-CD2 3.92Å
367	H	98.7	Very high	96.8	Very high	44 Å²	44	46.6 Å²	46.6	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-35.9	174.5	-177.1	67.5	0	0	0	112.1	L363 G364 L369 F370 P371 L375 H413	L363-H367 PolarHBondContact O-N 2.97Å; G364-H367 PolarHBondContact O-N 2.91Å; H367-L369 VanDerWaalsContact C-N 3.29Å; H367-L369 PolarHBondContact O-N 3.48Å; H367-F370 CarbonylContact O-C 3.49Å; H367-P371 PolarHBondContact CE1-O 2.78Å; H367-P371 WeakPolarHBondContact O-CA 3.35Å; H367-P371 WeakPolarHBondContact O-CB 3.33Å; H367-P371 WeakPolarHBondContact O-CD 3.2Å; H367-P371 VanDerWaalsContact O-N 3.08Å; H367-L375 HydrophobicContact CB-CD1 4.21Å; H367-H413 HydrophobicContact CB-CB 4.08Å; H367-H413 AromaticContact CD2-CD2 3.4Å; H367-H413 PolarHBondContact CD2-CD2 3.48Å; H367-H413 AromaticContact CD2-CE1 3.44Å; H367-H413 PolarHBondContact CD2-CE1 3.4Å; H367-H413 VanDerWaalsContact CD2-CE1 3.44Å; H367-H413 AromaticContact CD2-CG 3.22Å; H367-H413 AromaticContact CD2-ND1 3.26Å; H367-H413 PolarHBondContact CD2-ND1 2.81Å; H367-H413 VanDerWaalsContact CD2-ND1 3.26Å; H367-H413 AromaticContact CD2-NE2 3.57Å; H367-H413 AromaticContact CG-CD2 3.74Å; H367-H413 AromaticContact CG-CG 3.51Å; H367-H413 AromaticContact CG-ND1 3.99Å; H367-H413 AromaticContact NE2-CE1 3.7Å; H367-H413 AromaticContact NE2-CG 3.63Å; H367-H413 AromaticContact NE2-ND1 3.27Å; H367-H413 PolarHBondContact NE2-ND1 3.01Å
368	R	98.6	Very high	97.8	Very high	155 Å²	155	45.5 Å²	45.5	59%	0.585	24%	0.241	S	C	*	.	H	α-helix	trans	-62.7	-34.9	175.1	-167.5	-164.8	64.4	71.2	-3.4	112.7	G364 E365 T366	G364-R368 WeakPolarHBondContact O-CB 3.27Å; G364-R368 PolarHBondContact O-N 2.96Å; E365-R368 PolarHBondContact O-N 2.86Å; E365-R368 IonicContact OE1-CZ 3.54Å; E365-R368 IonicContact OE1-NE 3.49Å; E365-R368 IonicContact OE1-NH2 3.65Å; E365-R368 PolarHBondContact OE1-NH2 2.76Å; E365-R368 IonicContact OE2-CZ 3.47Å; E365-R368 IonicContact OE2-NE 3.59Å; E365-R368 PolarHBondContact OE2-NE 3.4Å; E365-R368 IonicContact OE2-NH2 2.7Å; E365-R368 PolarHBondContact OE2-NH2 2.83Å; T366-R368 VanDerWaalsContact C-N 3.3Å; T366-R368 PolarHBondContact O-N 3.27Å
369	L	98.7	Very high	98.2	Very high	56 Å²	56	41.4 Å²	41.4	29%	0.293	21%	0.214	S	C	.	.	H	α-helix	trans	-82.7	-39.9	179.5	-70.3	164.1	0	0	0	112.5	P328 K332 E365 T366 H367 P371	P328-L369 HydrophobicContact CB-CD1 3.98Å; K332-L369 HydrophobicContact CD-CD1 4.4Å; K332-L369 HydrophobicContact CG-CD1 4.26Å; E365-L369 HydrophobicContact CG-CD1 4.15Å; E365-L369 WeakPolarHBondContact O-CD1 3.32Å; E365-L369 VanDerWaalsContact O-CG 3.32Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 2.94Å; E365-L369 VanDerWaalsContact O-N 3.1Å; T366-L369 PolarHBondContact O-N 3.41Å; H367-L369 VanDerWaalsContact C-N 3.29Å; H367-L369 PolarHBondContact O-N 3.48Å; L369-P371 VanDerWaalsContact C-CD 3.49Å
370	F	98.7	Very high	98.2	Very high	34 Å²	34	41.1 Å²	41.1	15%	0.149	21%	0.212	C	C	.	.			trans	-129.3	62.8	-173.7	-55	-73.2	0	0	0	111.3	A331 K332 L335 T336 T366 H367 N372 T373	A331-F370 HydrophobicContact CB-CD2 4.03Å; A331-F370 HydrophobicContact CB-CE2 3.98Å; K332-F370 HydrophobicContact CG-CE2 4.22Å; K332-F370 HydrophobicContact CG-CZ 4.45Å; L335-F370 HydrophobicContact CB-CD1 3.75Å; L335-F370 HydrophobicContact CB-CE1 3.51Å; L335-F370 HydrophobicContact CB-CE2 4.35Å; L335-F370 HydrophobicContact CB-CG 4.28Å; L335-F370 HydrophobicContact CB-CZ 3.84Å; L335-F370 HydrophobicContact CD1-CB 4.02Å; L335-F370 HydrophobicContact CD1-CD1 3.95Å; L335-F370 HydrophobicContact CD1-CD2 3.91Å; L335-F370 HydrophobicContact CD1-CE1 4.42Å; L335-F370 HydrophobicContact CD1-CE2 4.38Å; L335-F370 HydrophobicContact CD1-CG 3.67Å; T336-F370 HydrophobicContact CG2-CZ 4.19Å; T366-F370 PolarHBondContact O-N 2.84Å; H367-F370 CarbonylContact O-C 3.49Å; F370-N372 PolarHBondContact O-N 2.99Å; F370-N372 VanDerWaalsContact O-N 3.1Å; F370-T373 PolarHBondContact O-N 2.8Å
371	P	98.5	Very high	98	Very high	72 Å²	72	34.1 Å²	34.1	47%	0.468	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.9	-169.1	24.8	-35.3	0	0	0	114.6	H367 L369	H367-P371 PolarHBondContact CE1-O 2.78Å; H367-P371 WeakPolarHBondContact O-CA 3.35Å; H367-P371 WeakPolarHBondContact O-CB 3.33Å; H367-P371 WeakPolarHBondContact O-CD 3.2Å; H367-P371 VanDerWaalsContact O-N 3.08Å; L369-P371 VanDerWaalsContact C-CD 3.49Å
372	N	98.4	Very high	97.7	Very high	159 Å²	159	31.8 Å²	31.8	85%	0.85	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-8.1	179	-63.7	-32.5	0	0	0	113.6	F370	F370-N372 PolarHBondContact O-N 2.99Å; F370-N372 VanDerWaalsContact O-N 3.1Å
373	T	98.8	Very high	96.8	Very high	24 Å²	24	31.9 Å²	31.9	15%	0.147	16%	0.163	C	C	.	.	S	Bend	trans	-95.2	114.4	173.6	-54.1	0	0	0	0	107.7	L335 V344 I347 F370	L335-T373 HydrophobicContact CD1-CG2 3.88Å; L335-T373 HydrophobicContact CD2-CG2 4.48Å; V344-T373 HydrophobicContact CG1-CG2 4.42Å; I347-T373 HydrophobicContact CD1-CG2 4.2Å; I347-T373 HydrophobicContact CG1-CG2 3.99Å; F370-T373 PolarHBondContact O-N 2.8Å
374	M	98.8	Very high	95.4	Very high	29 Å²	29	34.4 Å²	34.4	14%	0.143	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	149	-172.2	66.8	75.8	142.7	0	0	112	W267 L318 G346 I347 F376 V415	W267-M374 HydrophobicContact CH2-CE 3.73Å; W267-M374 HydrophobicContact CZ2-CE 3.57Å; L318-M374 HydrophobicContact CD1-CE 4.35Å; L318-M374 HydrophobicContact CD2-CE 3.64Å; L318-M374 HydrophobicContact CD2-SD 4.21Å; G346-M374 CarbonylContact C-O 3.55Å; G346-M374 WeakPolarHBondContact CA-O 3.33Å; I347-M374 PolarHBondContact N-O 3.04Å; M374-F376 HydrophobicContact CE-CB 3.9Å; M374-F376 HydrophobicContact CE-CD2 4.45Å; M374-F376 HydrophobicContact CE-CG 4.35Å; M374-F376 HydrophobicContact SD-CB 3.69Å; M374-V415 HydrophobicContact CB-CG1 4.02Å; M374-V415 HydrophobicContact CB-CG2 4.29Å; M374-V415 HydrophobicContact CE-CG2 4.06Å; M374-V415 HydrophobicContact CG-CG2 4.36Å; M374-V415 HydrophobicContact SD-CG2 3.88Å
375	L	98.9	Very high	94.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.2	170.4	-61.8	177.6	0	0	0	108.8	I347 L363 T366 H367 V414 V415	I347-L375 HydrophobicContact CB-CD2 3.95Å; I347-L375 HydrophobicContact CD1-CD2 3.89Å; I347-L375 HydrophobicContact CG1-CD2 4.49Å; I347-L375 HydrophobicContact CG2-CD2 4.38Å; L363-L375 HydrophobicContact CB-CD1 4.01Å; L363-L375 HydrophobicContact CD2-CD1 4.23Å; L363-L375 WeakPolarHBondContact O-CD1 3.22Å; T366-L375 HydrophobicContact CG2-CD2 3.92Å; H367-L375 HydrophobicContact CB-CD1 4.21Å; L375-V414 HydrophobicContact CB-CB 4.47Å; L375-V414 HydrophobicContact CB-CG2 3.95Å; L375-V414 CarbonylContact O-C 3.5Å; L375-V414 VanDerWaalsContact O-CA 3.31Å; L375-V414 WeakPolarHBondContact O-CA 3.3Å; L375-V414 WeakPolarHBondContact O-CG1 3.36Å; L375-V415 WeakPolarHBondContact O-CG2 3.37Å; L375-V415 PolarHBondContact O-N 3.13Å
376	F	98.9	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	126.1	-178.6	-178.3	-95.3	0	0	0	111	K118 I157 L214 W267 L318 I347 A348 V349 M374 S378 V415 T418	K118-F376 HydrophobicContact CG-CE2 4.49Å; I157-F376 HydrophobicContact CD1-CE2 3.54Å; I157-F376 HydrophobicContact CD1-CZ 3.55Å; I157-F376 HydrophobicContact CG2-CZ 4.35Å; L214-F376 HydrophobicContact CD2-CD1 4.45Å; L214-F376 HydrophobicContact CD2-CE1 3.76Å; W267-F376 AromaticContact CH2-CD2 4Å; W267-F376 HydrophobicContact CH2-CD2 4Å; W267-F376 AromaticContact CH2-CE2 3.9Å; W267-F376 HydrophobicContact CH2-CE2 3.9Å; W267-F376 HydrophobicContact CH2-CG 4.37Å; W267-F376 HydrophobicContact CH2-CZ 4.2Å; W267-F376 HydrophobicContact CZ3-CE1 4.37Å; W267-F376 HydrophobicContact CZ3-CE2 4.11Å; W267-F376 AromaticContact CZ3-CZ 4Å; W267-F376 HydrophobicContact CZ3-CZ 4Å; L318-F376 HydrophobicContact CD1-CD1 4.28Å; I347-F376 PolarHBondContact O-N 2.56Å; A348-F376 CarbonylContact C-O 3.53Å; A348-F376 VanDerWaalsContact CA-O 3.29Å; A348-F376 WeakPolarHBondContact CA-O 3.47Å; V349-F376 WeakPolarHBondContact CG2-O 3.45Å; V349-F376 PolarHBondContact N-O 2.8Å; M374-F376 HydrophobicContact CE-CB 3.9Å; M374-F376 HydrophobicContact CE-CD2 4.45Å; M374-F376 HydrophobicContact CE-CG 4.35Å; M374-F376 HydrophobicContact SD-CB 3.69Å; F376-S378 PolarHBondContact O-N 2.99Å; F376-V415 HydrophobicContact CB-CG2 4.38Å; F376-V415 HydrophobicContact CD2-CG2 3.99Å; F376-T418 WeakPolarHBondContact CE1-OG1 3.46Å; F376-T418 WeakPolarHBondContact CZ-OG1 3.4Å
377	A	98.7	Very high	91.9	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.033	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	105.3	173.9	0	0	0	0	0	109	V349 V414 G416 W417 T418	V349-A377 HydrophobicContact CG2-CB 4.28Å; V349-A377 WeakPolarHBondContact O-CA 3.37Å; A377-V414 HydrophobicContact CB-CG1 4.15Å; A377-G416 PolarHBondContact N-O 3.11Å; A377-W417 HydrophobicContact CB-CB 4.34Å; A377-W417 HydrophobicContact CB-CG 4.06Å; A377-W417 CarbonylContact O-C 3.3Å; A377-W417 WeakPolarHBondContact O-CA 3.46Å; A377-T418 PolarHBondContact O-N 3.21Å; A377-T418 PolarHBondContact O-OG1 3Å; A377-T418 VanDerWaalsContact O-OG1 3.1Å
378	S	98.7	Very high	90.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-20	-173.1	44.7	0	0	0	0	113.8	R159 D321 V349 H350 F376 T418	R159-S378 VanDerWaalsContact CD-O 3.23Å; R159-S378 WeakPolarHBondContact CD-O 3.07Å; D321-S378 WeakPolarHBondContact OD1-CB 3.33Å; D321-S378 PolarHBondContact OD1-OG 3.1Å; V349-S378 PolarHBondContact O-N 3.02Å; H350-S378 PolarHBondContact CD2-OG 3.49Å; H350-S378 VanDerWaalsContact CD2-OG 3.27Å; H350-S378 PolarHBondContact NE2-OG 3.41Å; F376-S378 PolarHBondContact O-N 2.99Å; S378-T418 WeakPolarHBondContact O-CB 3.17Å
379	E	98.3	Very high	89.8	Confident	9 Å²	9	49.8 Å²	49.8	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	137.6	179.4	176.5	177.1	165.1	0	0	111.8	H350 Y352 T418 W420	H350-E379 WeakPolarHBondContact CA-O 3.4Å; H350-E379 IonicContact CE1-OE2 3.12Å; H350-E379 PolarHBondContact CE1-OE2 3.42Å; H350-E379 IonicContact ND1-OE2 2.86Å; H350-E379 PolarHBondContact ND1-OE2 3.32Å; H350-E379 IonicContact NE2-OE2 2.79Å; Y352-E379 HydrophobicContact CE2-CG 4.02Å; Y352-E379 WeakPolarHBondContact CE2-OE1 3.36Å; Y352-E379 VanDerWaalsContact CZ-OE1 3.26Å; Y352-E379 VanDerWaalsContact OH-CG 3.25Å; Y352-E379 WeakPolarHBondContact OH-CG 3.5Å; Y352-E379 PolarHBondContact OH-OE1 3.08Å; E379-T418 CarbonylContact C-O 3.59Å; E379-T418 WeakPolarHBondContact CA-O 3Å; E379-W420 HydrophobicContact CB-CE3 4.1Å; E379-W420 HydrophobicContact CB-CZ3 4.04Å; E379-W420 HydrophobicContact CG-CD2 3.83Å; E379-W420 HydrophobicContact CG-CE3 3.39Å; E379-W420 HydrophobicContact CG-CG 4.34Å; E379-W420 HydrophobicContact CG-CH2 4.2Å; E379-W420 HydrophobicContact CG-CZ3 3.58Å; E379-W420 WeakPolarHBondContact OE1-CZ2 3.04Å; E379-W420 WeakPolarHBondContact OE2-CH2 3.43Å; E379-W420 WeakPolarHBondContact OE2-CZ3 3.45Å
380	A	96	Very high	89.4	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	24%	0.239	C	C	.	.			trans	-155.8	142	164.4	0	0	0	0	0	111	W351 W417 T418 W420	W351-A380 HydrophobicContact CB-CB 3.78Å; W351-A380 HydrophobicContact CG-CB 4.4Å; A380-W417 HydrophobicContact CB-CH2 3.58Å; A380-W417 HydrophobicContact CB-CZ2 3.31Å; A380-W417 HydrophobicContact CB-CZ3 4.44Å; A380-T418 PolarHBondContact N-O 2.91Å; A380-W420 PolarHBondContact O-N 2.99Å
381	C	92	Very high	89.4	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.233	C	C	.	.			trans	-148.5	178	166.1	78.5	0	0	0	0	111.7	Y352 W420 V437	Y352-C381 HydrophobicContact CE1-CB 4.2Å; Y352-C381 VanDerWaalsContact CE1-N 3.31Å; Y352-C381 WeakPolarHBondContact CE1-SG 3.45Å; Y352-C381 PolarHBondContact OH-N 3.48Å; Y352-C381 PolarHBondContact OH-SG 3.38Å; C381-W420 HydrophobicContact CB-CB 3.72Å; C381-W420 HydrophobicContact CB-CG 4.44Å; C381-V437 HydrophobicContact CB-CG2 4.28Å
382	V	89.9	Confident	89.3	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	23%	0.226	C	C	.	.	S	Bend	trans	-132.5	159.1	178.3	-70.6	0	0	0	0	110.2	W351 R398 Q401 Y402 D438 M455	W351-V382 HydrophobicContact CH2-CG1 4.43Å; W351-V382 HydrophobicContact CZ3-CG1 3.95Å; V382-R398 HydrophobicContact CB-CG 4.25Å; V382-R398 HydrophobicContact CG2-CB 4.01Å; V382-R398 HydrophobicContact CG2-CG 3.75Å; V382-Q401 HydrophobicContact CG1-CB 4.39Å; V382-Y402 HydrophobicContact CG1-CD1 4.36Å; V382-Y402 HydrophobicContact CG1-CE1 4Å; V382-Y402 HydrophobicContact CG2-CE1 3.93Å; V382-D438 HydrophobicContact CG2-CB 3.98Å; V382-D438 PolarHBondContact O-N 2.76Å; V382-M455 HydrophobicContact CG2-SD 3.45Å; V382-M455 WeakPolarHBondContact CG2-SD 3.28Å
383	G	78.4	Confident	89.3	Confident	5 Å²	5	40.6 Å²	40.6	5%	0.052	19%	0.19	C	C	.	.			trans	87.2	6.1	-175.1	0	0	0	0	0	114.9	K385 R398	G383-K385 PolarHBondContact O-N 3.12Å; G383-R398 VanDerWaalsContact CA-NH2 3.25Å
384	S	68.6	Low	89.2	Confident	54 Å²	54	39.5 Å²	39.5	38%	0.378	18%	0.183	S	C	.	.			trans	-74.3	-4.4	173.8	52.9	0	0	0	0	115
385	K	73.2	Confident	89.2	Confident	80 Å²	80	38.3 Å²	38.3	35%	0.348	18%	0.177	S	C	.	.	S	Bend	trans	-81.2	126.9	176.9	-72.4	160.4	175.8	172.1	0	109.7	G383 W387 E388	G383-K385 PolarHBondContact O-N 3.12Å; K385-W387 HydrophobicContact CB-CD2 4.11Å; K385-W387 HydrophobicContact CB-CE3 4.29Å; K385-W387 HydrophobicContact CB-CH2 4.25Å; K385-W387 HydrophobicContact CB-CZ2 4.03Å; K385-W387 HydrophobicContact CB-CZ3 4.36Å; K385-W387 HydrophobicContact CD-CH2 4.24Å; K385-W387 HydrophobicContact CD-CZ2 3.67Å; K385-W387 HydrophobicContact CG-CH2 4.07Å; K385-W387 HydrophobicContact CG-CZ2 3.94Å; K385-W387 PolarHBondContact O-N 3.12Å; K385-E388 HydrophobicContact CB-CB 4.43Å; K385-E388 HydrophobicContact CB-CG 4.09Å; K385-E388 HydrophobicContact CD-CG 4.46Å; K385-E388 VanDerWaalsContact CD-OE1 3.24Å; K385-E388 WeakPolarHBondContact CD-OE1 3.25Å; K385-E388 IonicContact NZ-OE1 3.17Å; K385-E388 PolarHBondContact O-N 3.25Å
386	F	75.3	Confident	89.2	Confident	196 Å²	196	38.2 Å²	38.2	86%	0.86	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-16.8	-173.6	70.8	-101.1	0	0	0	116.2
387	W	73.1	Confident	89.1	Confident	165 Å²	165	41.7 Å²	41.7	63%	0.625	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-5	177.5	65.2	81.3	0	0	0	114	K385	K385-W387 HydrophobicContact CB-CD2 4.11Å; K385-W387 HydrophobicContact CB-CE3 4.29Å; K385-W387 HydrophobicContact CB-CH2 4.25Å; K385-W387 HydrophobicContact CB-CZ2 4.03Å; K385-W387 HydrophobicContact CB-CZ3 4.36Å; K385-W387 HydrophobicContact CD-CH2 4.24Å; K385-W387 HydrophobicContact CD-CZ2 3.67Å; K385-W387 HydrophobicContact CG-CH2 4.07Å; K385-W387 HydrophobicContact CG-CZ2 3.94Å; K385-W387 PolarHBondContact O-N 3.12Å
388	E	72.6	Confident	89	Confident	41 Å²	41	41.7 Å²	41.7	19%	0.192	19%	0.194	C	C	.	.	S	Bend	trans	-93.4	142.9	175.1	-68.4	-171.4	-164.1	0	0	110.5	K385 S390 R398	K385-E388 HydrophobicContact CB-CB 4.43Å; K385-E388 HydrophobicContact CB-CG 4.09Å; K385-E388 HydrophobicContact CD-CG 4.46Å; K385-E388 VanDerWaalsContact CD-OE1 3.24Å; K385-E388 WeakPolarHBondContact CD-OE1 3.25Å; K385-E388 IonicContact NZ-OE1 3.17Å; K385-E388 PolarHBondContact O-N 3.25Å; E388-S390 PolarHBondContact O-N 2.65Å; E388-R398 IonicContact OE2-CZ 3.22Å; E388-R398 IonicContact OE2-NE 2.76Å; E388-R398 IonicContact OE2-NH2 3.53Å; E388-R398 PolarHBondContact OE2-NH2 3.16Å
389	Q	81.3	Confident	88.9	Confident	109 Å²	109	41.7 Å²	41.7	51%	0.509	19%	0.194	S	C	.	.			trans	-62.8	127	161.3	-175.8	-179.4	-7.7	0	0	108.5	Y50 V391 R392 R398	Y50-Q389 PolarHBondContact OH-OE1 2.78Å; Q389-V391 VanDerWaalsContact CD-O 3.27Å; Q389-V391 WeakPolarHBondContact CG-O 3.42Å; Q389-V391 PolarHBondContact NE2-O 3.48Å; Q389-V391 PolarHBondContact O-N 2.63Å; Q389-R392 HydrophobicContact CB-CG 4.48Å; Q389-R398 PolarHBondContact O-NH1 2.98Å; Q389-R398 PolarHBondContact O-NH2 3.24Å
390	S	91	Very high	88.9	Confident	24 Å²	24	42 Å²	42	17%	0.168	20%	0.196	C	C	.	.	S	Bend	trans	-55	-51.6	-176	-58.2	0	0	0	0	112.2	E388 R398 F436 V437 D438	E388-S390 PolarHBondContact O-N 2.65Å; S390-R398 PolarHBondContact O-NH1 3.11Å; S390-F436 VanDerWaalsContact CB-C 3.47Å; S390-F436 VanDerWaalsContact CB-O 3.27Å; S390-F436 WeakPolarHBondContact CB-O 3.47Å; S390-F436 VanDerWaalsContact OG-C 3.3Å; S390-F436 VanDerWaalsContact OG-CB 3.31Å; S390-F436 WeakPolarHBondContact OG-CB 3.44Å; S390-F436 PolarHBondContact OG-O 3.05Å; S390-V437 CarbonylContact O-C 3.48Å; S390-D438 WeakPolarHBondContact O-CA 3.2Å; S390-D438 VanDerWaalsContact O-CB 3.24Å; S390-D438 WeakPolarHBondContact O-CB 3.37Å; S390-D438 PolarHBondContact O-N 2.84Å; S390-D438 VanDerWaalsContact O-N 3.08Å
391	V	97	Very high	89	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.024	21%	0.209	C	C	.	.			trans	-102.8	130.8	175.1	177.4	0	0	0	0	111.6	Q389 L393 G428 I442	Q389-V391 VanDerWaalsContact CD-O 3.27Å; Q389-V391 WeakPolarHBondContact CG-O 3.42Å; Q389-V391 PolarHBondContact NE2-O 3.48Å; Q389-V391 PolarHBondContact O-N 2.63Å; V391-L393 HydrophobicContact CG1-CD2 4.12Å; V391-L393 HydrophobicContact CG1-CG 4.06Å; V391-G428 VanDerWaalsContact CG2-CA 3.46Å; V391-I442 HydrophobicContact CB-CD1 4.44Å; V391-I442 HydrophobicContact CG1-CD1 3.76Å; V391-I442 HydrophobicContact CG1-CG1 3.73Å; V391-I442 HydrophobicContact CG1-CG2 4.34Å; V391-I442 HydrophobicContact CG2-CD1 3.75Å
392	R	97	Very high	89.3	Confident	82 Å²	82	44.8 Å²	44.8	31%	0.309	21%	0.209	S	C	.	.			trans	-127.2	89.9	173.2	-69.7	-173.4	168.1	-175.3	-2.3	111	Y50 Q389 G394 S395 D438 Q453	Y50-R392 HydrophobicContact CD1-CB 4.23Å; Y50-R392 HydrophobicContact CD1-CG 4.45Å; Y50-R392 HydrophobicContact CD2-CB 4.23Å; Y50-R392 HydrophobicContact CE1-CB 3.97Å; Y50-R392 HydrophobicContact CE1-CG 3.76Å; Y50-R392 HydrophobicContact CE2-CB 3.95Å; Y50-R392 HydrophobicContact CE2-CG 4.22Å; Y50-R392 HydrophobicContact CG-CB 4.36Å; Q389-R392 HydrophobicContact CB-CG 4.48Å; R392-G394 PolarHBondContact O-N 2.61Å; R392-S395 WeakPolarHBondContact O-CB 3.26Å; R392-S395 PolarHBondContact O-N 2.03Å; R392-D438 PolarHBondContact N-OD2 2.92Å; R392-Q453 PolarHBondContact O-NE2 3.49Å; R392-Q453 VanDerWaalsContact O-NE2 3.09Å; R392-Q453 PolarHBondContact O-OE1 3.19Å
393	L	98.2	Very high	89.7	Confident	18 Å²	18	44.6 Å²	44.6	9%	0.094	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	105.8	-175.4	-69	172	0	0	0	112.4	F48 Y50 V54 V391 I442 Y451	F48-L393 HydrophobicContact CB-CB 3.86Å; F48-L393 HydrophobicContact CD1-CB 4.42Å; F48-L393 HydrophobicContact CD1-CD1 3.74Å; F48-L393 HydrophobicContact CD2-CB 3.61Å; F48-L393 HydrophobicContact CD2-CD1 3.99Å; F48-L393 HydrophobicContact CD2-CG 4.4Å; F48-L393 HydrophobicContact CE1-CD1 3.67Å; F48-L393 HydrophobicContact CE2-CB 4.2Å; F48-L393 HydrophobicContact CE2-CD1 3.93Å; F48-L393 HydrophobicContact CG-CB 3.73Å; F48-L393 HydrophobicContact CG-CD1 3.89Å; F48-L393 HydrophobicContact CG-CG 4.47Å; F48-L393 HydrophobicContact CZ-CD1 3.75Å; Y50-L393 VanDerWaalsContact CD2-O 3.3Å; Y50-L393 WeakPolarHBondContact CD2-O 3.16Å; V54-L393 HydrophobicContact CG1-CB 4.08Å; V54-L393 HydrophobicContact CG1-CD2 4.16Å; V391-L393 HydrophobicContact CG1-CD2 4.12Å; V391-L393 HydrophobicContact CG1-CG 4.06Å; L393-I442 HydrophobicContact CD2-CB 3.83Å; L393-I442 HydrophobicContact CD2-CG1 3.87Å; L393-I442 HydrophobicContact CD2-CG2 4.03Å; L393-Y451 HydrophobicContact CD1-CD2 4.25Å; L393-Y451 HydrophobicContact CD1-CE2 4.45Å; L393-Y451 HydrophobicContact CD2-CD2 3.9Å; L393-Y451 HydrophobicContact CD2-CG 4.25Å
394	G	98.2	Very high	90.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	12.8	-179.2	0	0	0	0	0	114.5	S52 V54 R392 W396	S52-G394 CarbonylContact C-O 3.58Å; S52-G394 VanDerWaalsContact C-O 3.3Å; S52-G394 WeakPolarHBondContact CA-O 3.04Å; S52-G394 WeakPolarHBondContact CB-O 3.06Å; S52-G394 PolarHBondContact N-O 3.16Å; V54-G394 VanDerWaalsContact CG1-N 3.27Å; R392-G394 PolarHBondContact O-N 2.61Å; G394-W396 PolarHBondContact O-N 2.85Å; G394-W396 VanDerWaalsContact O-N 3.1Å
395	S	98.1	Very high	92	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.035	20%	0.201	C	C	.	.			trans	-67.9	107.3	177.4	-177.9	0	0	0	0	112.2	R392 D397 R398 G399	R392-S395 WeakPolarHBondContact O-CB 3.26Å; R392-S395 PolarHBondContact O-N 2.03Å; S395-D397 VanDerWaalsContact C-N 3.28Å; S395-D397 PolarHBondContact O-N 3.22Å; S395-R398 PolarHBondContact O-N 2.81Å; S395-R398 PolarHBondContact OG-N 2.7Å; S395-G399 PolarHBondContact O-N 3.23Å
396	W	98.4	Very high	93.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-34.8	174.5	-168	-103.8	0	0	0	111.8	S51 T82 R83 G394 R398 G399 M400 P454 H458 Y526 I528	S51-W396 PolarHBondContact OG-N 3.22Å; S51-W396 VanDerWaalsContact OG-N 3.14Å; T82-W396 VanDerWaalsContact C-CZ3 3.46Å; T82-W396 WeakPolarHBondContact O-CZ3 3.5Å; R83-W396 HydrophobicContact CB-CB 4.44Å; R83-W396 HydrophobicContact CB-CD2 3.77Å; R83-W396 HydrophobicContact CB-CE3 4.4Å; R83-W396 HydrophobicContact CB-CG 3.74Å; R83-W396 HydrophobicContact CG-CB 3.87Å; R83-W396 HydrophobicContact CG-CD2 4.18Å; R83-W396 HydrophobicContact CG-CG 3.7Å; G394-W396 PolarHBondContact O-N 2.85Å; G394-W396 VanDerWaalsContact O-N 3.1Å; W396-R398 VanDerWaalsContact C-N 3.28Å; W396-R398 PolarHBondContact O-N 3.23Å; W396-G399 CarbonylContact O-C 3.51Å; W396-G399 WeakPolarHBondContact O-CA 2.88Å; W396-G399 PolarHBondContact O-N 3.43Å; W396-M400 VanDerWaalsContact CD1-SD 3.59Å; W396-M400 WeakPolarHBondContact O-CG 3.31Å; W396-M400 PolarHBondContact O-N 3.37Å; W396-P454 HydrophobicContact CE3-CB 3.92Å; W396-P454 HydrophobicContact CE3-CG 4.33Å; W396-P454 HydrophobicContact CZ3-CB 4.32Å; W396-H458 AromaticContact CD2-NE2 3.84Å; W396-H458 AromaticContact CE2-NE2 3.46Å; W396-H458 AromaticContact CE3-NE2 3.93Å; W396-H458 AromaticContact CH2-NE2 3.28Å; W396-H458 VanDerWaalsContact CH2-NE2 3.28Å; W396-H458 WeakPolarHBondContact CH2-NE2 3.37Å; W396-H458 AromaticContact CZ2-CE1 3.81Å; W396-H458 AromaticContact CZ2-NE2 3.2Å; W396-H458 WeakPolarHBondContact CZ2-NE2 3.26Å; W396-H458 AromaticContact CZ3-NE2 3.66Å; W396-Y526 VanDerWaalsContact CZ2-O 3.25Å; W396-Y526 WeakPolarHBondContact CZ2-O 3.48Å; W396-Y526 PolarHBondContact NE1-O 2.76Å; W396-I528 HydrophobicContact CH2-CG2 4.48Å
397	D	96.6	Very high	94.3	Very high	72 Å²	72	31.7 Å²	31.7	39%	0.385	14%	0.144	S	C	.	.	H	α-helix	trans	-66.6	-29.1	-177.8	-46.6	-66.2	0	0	0	112.5	S51 S395 M400 Q401	S51-D397 PolarHBondContact OG-OD2 3.01Å; S395-D397 VanDerWaalsContact C-N 3.28Å; S395-D397 PolarHBondContact O-N 3.22Å; D397-M400 HydrophobicContact CB-CE 4.32Å; D397-M400 VanDerWaalsContact OD1-CE 3.23Å; D397-M400 WeakPolarHBondContact OD1-CE 3.49Å; D397-Q401 WeakPolarHBondContact O-CG 3.27Å; D397-Q401 PolarHBondContact O-N 3.05Å; D397-Q401 VanDerWaalsContact O-N 3.13Å; D397-Q401 PolarHBondContact O-NE2 3Å
398	R	96.5	Very high	95.5	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-72.3	-38.9	169.9	-76.4	-176.6	171.7	174.7	-0.5	112.1	V382 G383 E388 Q389 S390 S395 W396 Q401 Y402 D438 M455	V382-R398 HydrophobicContact CB-CG 4.25Å; V382-R398 HydrophobicContact CG2-CB 4.01Å; V382-R398 HydrophobicContact CG2-CG 3.75Å; G383-R398 VanDerWaalsContact CA-NH2 3.25Å; E388-R398 IonicContact OE2-CZ 3.22Å; E388-R398 IonicContact OE2-NE 2.76Å; E388-R398 IonicContact OE2-NH2 3.53Å; E388-R398 PolarHBondContact OE2-NH2 3.16Å; Q389-R398 PolarHBondContact O-NH1 2.98Å; Q389-R398 PolarHBondContact O-NH2 3.24Å; S390-R398 PolarHBondContact O-NH1 3.11Å; S395-R398 PolarHBondContact O-N 2.81Å; S395-R398 PolarHBondContact OG-N 2.7Å; W396-R398 VanDerWaalsContact C-N 3.28Å; W396-R398 PolarHBondContact O-N 3.23Å; R398-Q401 PolarHBondContact O-N 2.92Å; R398-Y402 PolarHBondContact O-N 2.92Å; R398-D438 WeakPolarHBondContact CD-OD2 3.24Å; R398-D438 IonicContact CZ-OD2 3.45Å; R398-D438 IonicContact NE-OD2 3.36Å; R398-D438 IonicContact NH1-OD2 3.62Å; R398-D438 PolarHBondContact NH1-OD2 2.91Å; R398-M455 HydrophobicContact CB-CG 4Å; R398-M455 HydrophobicContact CB-SD 3.92Å
399	G	98.1	Very high	96.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-49.4	169.1	0	0	0	0	0	112.5	S395 W396 Q401 Y402 S403 H458	S395-G399 PolarHBondContact O-N 3.23Å; W396-G399 CarbonylContact O-C 3.51Å; W396-G399 WeakPolarHBondContact O-CA 2.88Å; W396-G399 PolarHBondContact O-N 3.43Å; G399-Q401 VanDerWaalsContact C-N 3.3Å; G399-Q401 PolarHBondContact O-N 3.09Å; G399-Y402 WeakPolarHBondContact O-CB 3.25Å; G399-Y402 PolarHBondContact O-N 2.95Å; G399-Y402 VanDerWaalsContact O-N 3.15Å; G399-S403 PolarHBondContact O-N 2.9Å; G399-S403 VanDerWaalsContact O-N 3.16Å; G399-S403 PolarHBondContact O-OG 3.16Å; G399-H458 VanDerWaalsContact C-ND1 3.3Å; G399-H458 VanDerWaalsContact O-CB 3.27Å; G399-H458 WeakPolarHBondContact O-CB 3.19Å; G399-H458 PolarHBondContact O-ND1 2.88Å; G399-H458 VanDerWaalsContact O-ND1 3.11Å
400	M	98.2	Very high	97.6	Very high	15 Å²	15	18.6 Å²	18.6	7%	0.074	9%	0.092	C	C	.	.	H	α-helix	trans	-59.9	-37	177.9	-68.3	-167.7	-61.2	0	0	113	W396 D397 S403 H404 L500 R502 Y526	W396-M400 VanDerWaalsContact CD1-SD 3.59Å; W396-M400 WeakPolarHBondContact O-CG 3.31Å; W396-M400 PolarHBondContact O-N 3.37Å; D397-M400 HydrophobicContact CB-CE 4.32Å; D397-M400 VanDerWaalsContact OD1-CE 3.23Å; D397-M400 WeakPolarHBondContact OD1-CE 3.49Å; M400-S403 PolarHBondContact O-OG 3.03Å; M400-H404 WeakPolarHBondContact O-CB 3.44Å; M400-H404 PolarHBondContact O-N 3.32Å; M400-L500 HydrophobicContact CG-CD1 4.38Å; M400-R502 HydrophobicContact CB-CG 4.18Å; M400-R502 HydrophobicContact CG-CG 4.34Å; M400-R502 HydrophobicContact SD-CB 4.04Å; M400-R502 HydrophobicContact SD-CG 3.87Å; M400-Y526 HydrophobicContact CE-CD1 4.06Å; M400-Y526 HydrophobicContact CE-CE1 4.39Å; M400-Y526 HydrophobicContact SD-CD1 3.95Å
401	Q	96.6	Very high	97.9	Very high	59 Å²	59	21 Å²	21	28%	0.276	10%	0.102	S	C	.	.	H	α-helix	trans	-60.8	-45.4	174.3	-80.4	168	93.3	0	0	112.1	W351 V382 D397 R398 G399 H404 S405	W351-Q401 HydrophobicContact CH2-CB 4.39Å; V382-Q401 HydrophobicContact CG1-CB 4.39Å; D397-Q401 WeakPolarHBondContact O-CG 3.27Å; D397-Q401 PolarHBondContact O-N 3.05Å; D397-Q401 VanDerWaalsContact O-N 3.13Å; D397-Q401 PolarHBondContact O-NE2 3Å; R398-Q401 PolarHBondContact O-N 2.92Å; G399-Q401 VanDerWaalsContact C-N 3.3Å; G399-Q401 PolarHBondContact O-N 3.09Å; Q401-H404 PolarHBondContact O-N 3.37Å; Q401-S405 VanDerWaalsContact O-CB 3.28Å; Q401-S405 WeakPolarHBondContact O-CB 3.35Å; Q401-S405 PolarHBondContact O-N 2.7Å
402	Y	98.2	Very high	98	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-58.4	-55.4	176.5	-88.9	46.3	0	0	0	111	V382 R398 G399 H404 S405 I406 W417 D419 P440 M455 L459	V382-Y402 HydrophobicContact CG1-CD1 4.36Å; V382-Y402 HydrophobicContact CG1-CE1 4Å; V382-Y402 HydrophobicContact CG2-CE1 3.93Å; R398-Y402 PolarHBondContact O-N 2.92Å; G399-Y402 WeakPolarHBondContact O-CB 3.25Å; G399-Y402 PolarHBondContact O-N 2.95Å; G399-Y402 VanDerWaalsContact O-N 3.15Å; Y402-H404 PolarHBondContact O-N 3.5Å; Y402-S405 WeakPolarHBondContact O-CB 3.36Å; Y402-S405 PolarHBondContact O-N 3.31Å; Y402-I406 VanDerWaalsContact O-CG1 3.3Å; Y402-I406 WeakPolarHBondContact O-CG1 3.38Å; Y402-I406 PolarHBondContact O-N 3.09Å; Y402-W417 HydrophobicContact CD1-CH2 4.46Å; Y402-W417 AromaticContact CD2-CH2 3.6Å; Y402-W417 HydrophobicContact CD2-CH2 3.6Å; Y402-W417 HydrophobicContact CD2-CZ3 4Å; Y402-W417 HydrophobicContact CE1-CH2 4.49Å; Y402-W417 AromaticContact CE2-CH2 3.65Å; Y402-W417 HydrophobicContact CE2-CH2 3.65Å; Y402-W417 AromaticContact CE2-CZ3 3.99Å; Y402-W417 HydrophobicContact CE2-CZ3 3.99Å; Y402-W417 HydrophobicContact CG-CH2 4.02Å; Y402-D419 VanDerWaalsContact CE2-OD1 3.23Å; Y402-D419 WeakPolarHBondContact CE2-OD1 3.39Å; Y402-D419 VanDerWaalsContact CZ-OD1 3.3Å; Y402-D419 PolarHBondContact OH-OD1 3.34Å; Y402-P440 HydrophobicContact CE2-CG 3.9Å; Y402-M455 HydrophobicContact CD1-CG 4.07Å; Y402-M455 HydrophobicContact CD1-SD 4.1Å; Y402-M455 HydrophobicContact CD2-CB 4.09Å; Y402-M455 HydrophobicContact CE1-CG 4.18Å; Y402-M455 HydrophobicContact CE1-SD 3.63Å; Y402-M455 HydrophobicContact CE2-CB 4.21Å; Y402-M455 HydrophobicContact CG-CB 4.28Å; Y402-M455 HydrophobicContact CG-CG 4.27Å; Y402-L459 HydrophobicContact CD2-CB 4.42Å; Y402-L459 HydrophobicContact CD2-CD1 4.05Å; Y402-L459 HydrophobicContact CE2-CD1 4.21Å
403	S	98.6	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.2	-36.1	-178.2	50.1	0	0	0	0	113.9	G399 M400 I406 I407 H458 L500	G399-S403 PolarHBondContact O-N 2.9Å; G399-S403 VanDerWaalsContact O-N 3.16Å; G399-S403 PolarHBondContact O-OG 3.16Å; M400-S403 PolarHBondContact O-OG 3.03Å; S403-I406 PolarHBondContact O-N 2.93Å; S403-I407 VanDerWaalsContact O-CG1 3.29Å; S403-I407 WeakPolarHBondContact O-CG1 3.38Å; S403-I407 PolarHBondContact O-N 3.36Å; S403-H458 PolarHBondContact OG-ND1 3.11Å; S403-L500 WeakPolarHBondContact OG-CD1 3.42Å; S403-L500 VanDerWaalsContact OG-CD2 3.26Å; S403-L500 WeakPolarHBondContact OG-CD2 3.48Å
404	H	98.1	Very high	98.1	Very high	60 Å²	60	21.4 Å²	21.4	28%	0.278	10%	0.104	S	C	.	.	H	α-helix	trans	-67.2	-40.2	176	178.3	69.7	0	0	0	111.4	M400 Q401 Y402 T408 D484 L500 R502	M400-H404 WeakPolarHBondContact O-CB 3.44Å; M400-H404 PolarHBondContact O-N 3.32Å; Q401-H404 PolarHBondContact O-N 3.37Å; Y402-H404 PolarHBondContact O-N 3.5Å; H404-T408 VanDerWaalsContact O-CB 3.32Å; H404-T408 WeakPolarHBondContact O-CB 3.48Å; H404-T408 PolarHBondContact O-N 3.35Å; H404-T408 PolarHBondContact O-OG1 3.31Å; H404-D484 IonicContact CE1-OD1 3.45Å; H404-D484 PolarHBondContact CE1-OD1 3.15Å; H404-D484 IonicContact CE1-OD2 3.87Å; H404-D484 IonicContact CG-OD2 3.91Å; H404-D484 IonicContact ND1-OD1 3.97Å; H404-D484 PolarHBondContact ND1-OD1 3.28Å; H404-D484 IonicContact ND1-OD2 2.94Å; H404-D484 PolarHBondContact ND1-OD2 3.23Å; H404-L500 HydrophobicContact CB-CD2 3.92Å; H404-R502 PolarHBondContact CE1-NH2 3.08Å; H404-R502 VanDerWaalsContact CE1-NH2 3.32Å; H404-R502 PolarHBondContact ND1-NE 2.84Å; H404-R502 PolarHBondContact ND1-NH2 3.27Å
405	S	97.5	Very high	98.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-49.2	172.5	-178.2	0	0	0	0	111.1	W351 Q401 Y402 I407 T408 N409 W417	W351-S405 PolarHBondContact NE1-OG 2.86Å; W351-S405 VanDerWaalsContact NE1-OG 3.17Å; Q401-S405 VanDerWaalsContact O-CB 3.28Å; Q401-S405 WeakPolarHBondContact O-CB 3.35Å; Q401-S405 PolarHBondContact O-N 2.7Å; Y402-S405 WeakPolarHBondContact O-CB 3.36Å; Y402-S405 PolarHBondContact O-N 3.31Å; S405-I407 PolarHBondContact O-N 3.06Å; S405-T408 PolarHBondContact O-N 2.77Å; S405-N409 WeakPolarHBondContact O-CB 3.44Å; S405-N409 PolarHBondContact O-N 3.44Å; S405-N409 PolarHBondContact O-ND2 3.23Å; S405-N409 PolarHBondContact OG-ND2 2.88Å; S405-W417 PolarHBondContact OG-NE1 2.96Å
406	I	98.6	Very high	98.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-60.8	-46.6	179.9	-64.9	160.8	0	0	0	111.3	F120 Y402 S403 T408 N409 L410 W417 L459 F462	F120-I406 HydrophobicContact CE1-CG2 3.85Å; Y402-I406 VanDerWaalsContact O-CG1 3.3Å; Y402-I406 WeakPolarHBondContact O-CG1 3.38Å; Y402-I406 PolarHBondContact O-N 3.09Å; S403-I406 PolarHBondContact O-N 2.93Å; I406-T408 PolarHBondContact O-N 2.69Å; I406-N409 PolarHBondContact O-N 3.31Å; I406-L410 HydrophobicContact CG2-CD1 3.9Å; I406-L410 HydrophobicContact CG2-CG 4.38Å; I406-L410 WeakPolarHBondContact O-CB 3Å; I406-L410 WeakPolarHBondContact O-CG 3.24Å; I406-L410 PolarHBondContact O-N 3.15Å; I406-W417 HydrophobicContact CD1-CD2 4.21Å; I406-W417 HydrophobicContact CD1-CE3 4.24Å; I406-W417 HydrophobicContact CG1-CB 4.27Å; I406-W417 HydrophobicContact CG1-CD2 3.6Å; I406-W417 HydrophobicContact CG1-CE3 4.14Å; I406-W417 HydrophobicContact CG1-CG 3.68Å; I406-W417 HydrophobicContact CG1-CZ2 4.33Å; I406-L459 HydrophobicContact CD1-CB 4.43Å; I406-L459 HydrophobicContact CD1-CG 4.02Å; I406-F462 HydrophobicContact CB-CD1 4.43Å; I406-F462 HydrophobicContact CB-CD2 4.21Å; I406-F462 HydrophobicContact CB-CE1 4.3Å; I406-F462 HydrophobicContact CB-CE2 4.09Å; I406-F462 HydrophobicContact CB-CG 4.39Å; I406-F462 HydrophobicContact CB-CZ 4.14Å; I406-F462 HydrophobicContact CD1-CD2 3.7Å; I406-F462 HydrophobicContact CD1-CE2 4.01Å; I406-F462 HydrophobicContact CD1-CG 4.35Å; I406-F462 HydrophobicContact CG2-CB 4.2Å; I406-F462 HydrophobicContact CG2-CD1 3.47Å; I406-F462 VanDerWaalsContact CG2-CD1 3.47Å; I406-F462 HydrophobicContact CG2-CD2 3.87Å; I406-F462 HydrophobicContact CG2-CE1 3.72Å; I406-F462 HydrophobicContact CG2-CE2 4.11Å; I406-F462 HydrophobicContact CG2-CG 3.56Å; I406-F462 HydrophobicContact CG2-CZ 4.04Å
407	I	98.7	Very high	98.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-47	175.9	-69	164.8	0	0	0	110.5	S403 S405 N409 L410 L411 F462 D484 V486 L500	S403-I407 VanDerWaalsContact O-CG1 3.29Å; S403-I407 WeakPolarHBondContact O-CG1 3.38Å; S403-I407 PolarHBondContact O-N 3.36Å; S405-I407 PolarHBondContact O-N 3.06Å; I407-N409 PolarHBondContact O-N 3.4Å; I407-L410 PolarHBondContact O-N 2.9Å; I407-L411 HydrophobicContact CG2-CD1 3.71Å; I407-L411 HydrophobicContact CG2-CG 4.2Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 VanDerWaalsContact O-CG 3.25Å; I407-L411 WeakPolarHBondContact O-CG 3.12Å; I407-L411 PolarHBondContact O-N 2.9Å; I407-F462 HydrophobicContact CD1-CE1 4.38Å; I407-F462 HydrophobicContact CD1-CZ 4Å; I407-F462 HydrophobicContact CG1-CE1 3.67Å; I407-F462 HydrophobicContact CG1-CZ 3.64Å; I407-D484 HydrophobicContact CB-CB 4.44Å; I407-D484 HydrophobicContact CD1-CB 3.8Å; I407-D484 HydrophobicContact CG2-CB 4Å; I407-V486 HydrophobicContact CG1-CG1 4.05Å; I407-V486 HydrophobicContact CG2-CB 4.34Å; I407-L500 HydrophobicContact CD1-CB 3.79Å; I407-L500 HydrophobicContact CD1-CD2 4.31Å
408	T	98.1	Very high	98.3	Very high	27 Å²	27	18.9 Å²	18.9	17%	0.166	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-46.2	178.4	-60.6	0	0	0	0	111.7	A359 H404 S405 I406 L411 Y412	A359-T408 HydrophobicContact CB-CG2 3.73Å; H404-T408 VanDerWaalsContact O-CB 3.32Å; H404-T408 WeakPolarHBondContact O-CB 3.48Å; H404-T408 PolarHBondContact O-N 3.35Å; H404-T408 PolarHBondContact O-OG1 3.31Å; S405-T408 PolarHBondContact O-N 2.77Å; I406-T408 PolarHBondContact O-N 2.69Å; T408-L411 PolarHBondContact O-N 3.39Å; T408-Y412 HydrophobicContact CG2-CD2 3.96Å; T408-Y412 HydrophobicContact CG2-CE2 4.24Å; T408-Y412 VanDerWaalsContact O-CD2 3.3Å; T408-Y412 WeakPolarHBondContact O-CD2 3.42Å; T408-Y412 PolarHBondContact O-N 3.28Å
409	N	98.4	Very high	98.4	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.043	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-48.3	177.6	-84.6	-87.6	0	0	0	111.1	S405 I406 I407 L411 Y412 H413 V414	S405-N409 WeakPolarHBondContact O-CB 3.44Å; S405-N409 PolarHBondContact O-N 3.44Å; S405-N409 PolarHBondContact O-ND2 3.23Å; S405-N409 PolarHBondContact OG-ND2 2.88Å; I406-N409 PolarHBondContact O-N 3.31Å; I407-N409 PolarHBondContact O-N 3.4Å; N409-L411 VanDerWaalsContact C-N 3.32Å; N409-L411 PolarHBondContact O-N 2.87Å; N409-Y412 CarbonylContact O-C 3.55Å; N409-Y412 VanDerWaalsContact O-C 3.23Å; N409-Y412 PolarHBondContact O-N 3.24Å; N409-Y412 VanDerWaalsContact O-N 3.1Å; N409-H413 PolarHBondContact O-N 2.79Å; N409-V414 HydrophobicContact CB-CB 3.86Å; N409-V414 HydrophobicContact CB-CG1 4.19Å; N409-V414 HydrophobicContact CB-CG2 3.97Å; N409-V414 VanDerWaalsContact O-CB 3.27Å; N409-V414 WeakPolarHBondContact O-CB 3.35Å; N409-V414 WeakPolarHBondContact O-CG2 3.35Å; N409-V414 PolarHBondContact O-N 3.05Å; N409-V414 WeakPolarHBondContact OD1-CG2 3.5Å
410	L	98.7	Very high	98.3	Very high	5 Å²	5	19 Å²	19	3%	0.026	9%	0.092	C	C	.	.	H	α-helix	trans	-61.9	-38.2	175.9	-69.5	171.3	0	0	0	112.1	Q115 V117 I406 I407 Y412 H413 F462 I466 R472 V486	Q115-L410 PolarHBondContact NE2-O 2.87Å; V117-L410 HydrophobicContact CG2-CD2 4.07Å; I406-L410 HydrophobicContact CG2-CD1 3.9Å; I406-L410 HydrophobicContact CG2-CG 4.38Å; I406-L410 WeakPolarHBondContact O-CB 3Å; I406-L410 WeakPolarHBondContact O-CG 3.24Å; I406-L410 PolarHBondContact O-N 3.15Å; I407-L410 PolarHBondContact O-N 2.9Å; L410-Y412 VanDerWaalsContact C-N 3.28Å; L410-Y412 PolarHBondContact O-N 2.81Å; L410-H413 PolarHBondContact O-N 3.48Å; L410-F462 HydrophobicContact CD1-CD1 4.21Å; L410-I466 HydrophobicContact CD1-CD1 4.49Å; L410-R472 WeakPolarHBondContact O-CD 3.23Å; L410-R472 PolarHBondContact O-NH1 3.23Å; L410-V486 HydrophobicContact CB-CG2 4.05Å; L410-V486 HydrophobicContact CD1-CG1 4.14Å; L410-V486 HydrophobicContact CD1-CG2 4.45Å
411	L	98.6	Very high	98.4	Very high	74 Å²	74	18.4 Å²	18.4	39%	0.387	9%	0.089	S	C	.	.	H	α-helix	trans	-69	-23.3	175.4	-70.8	176.7	0	0	0	113.2	I407 T408 N409 R472 V486	I407-L411 HydrophobicContact CG2-CD1 3.71Å; I407-L411 HydrophobicContact CG2-CG 4.2Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 VanDerWaalsContact O-CG 3.25Å; I407-L411 WeakPolarHBondContact O-CG 3.12Å; I407-L411 PolarHBondContact O-N 2.9Å; T408-L411 PolarHBondContact O-N 3.39Å; N409-L411 VanDerWaalsContact C-N 3.32Å; N409-L411 PolarHBondContact O-N 2.87Å; L411-R472 VanDerWaalsContact CA-NH1 3.33Å; L411-R472 PolarHBondContact O-NH1 2.91Å; L411-V486 HydrophobicContact CD2-CG2 4.3Å
412	Y	98.6	Very high	98.5	Very high	75 Å²	75	15.6 Å²	15.6	29%	0.294	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	44	173.1	-68.5	-75	0	0	0	113.6	A359 K360 T408 N409 L410 V414	A359-Y412 HydrophobicContact CB-CD2 3.47Å; A359-Y412 VanDerWaalsContact CB-CD2 3.47Å; A359-Y412 HydrophobicContact CB-CE2 3.78Å; A359-Y412 HydrophobicContact CB-CG 4.04Å; K360-Y412 VanDerWaalsContact CA-CE1 3.47Å; K360-Y412 HydrophobicContact CB-CE1 3.64Å; K360-Y412 HydrophobicContact CG-CE1 3.97Å; T408-Y412 HydrophobicContact CG2-CD2 3.96Å; T408-Y412 HydrophobicContact CG2-CE2 4.24Å; T408-Y412 VanDerWaalsContact O-CD2 3.3Å; T408-Y412 WeakPolarHBondContact O-CD2 3.42Å; T408-Y412 PolarHBondContact O-N 3.28Å; N409-Y412 CarbonylContact O-C 3.55Å; N409-Y412 VanDerWaalsContact O-C 3.23Å; N409-Y412 PolarHBondContact O-N 3.24Å; N409-Y412 VanDerWaalsContact O-N 3.1Å; L410-Y412 VanDerWaalsContact C-N 3.28Å; L410-Y412 PolarHBondContact O-N 2.81Å; Y412-V414 VanDerWaalsContact C-N 3.26Å; Y412-V414 PolarHBondContact O-N 3.41Å
413	H	98.8	Very high	98.5	Very high	37 Å²	37	15.5 Å²	15.5	17%	0.171	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.1	164.1	-47	-87.9	0	0	0	116.9	H367 N409 L410	H367-H413 HydrophobicContact CB-CB 4.08Å; H367-H413 AromaticContact CD2-CD2 3.4Å; H367-H413 PolarHBondContact CD2-CD2 3.48Å; H367-H413 AromaticContact CD2-CE1 3.44Å; H367-H413 PolarHBondContact CD2-CE1 3.4Å; H367-H413 VanDerWaalsContact CD2-CE1 3.44Å; H367-H413 AromaticContact CD2-CG 3.22Å; H367-H413 AromaticContact CD2-ND1 3.26Å; H367-H413 PolarHBondContact CD2-ND1 2.81Å; H367-H413 VanDerWaalsContact CD2-ND1 3.26Å; H367-H413 AromaticContact CD2-NE2 3.57Å; H367-H413 AromaticContact CG-CD2 3.74Å; H367-H413 AromaticContact CG-CG 3.51Å; H367-H413 AromaticContact CG-ND1 3.99Å; H367-H413 AromaticContact NE2-CE1 3.7Å; H367-H413 AromaticContact NE2-CG 3.63Å; H367-H413 AromaticContact NE2-ND1 3.27Å; H367-H413 PolarHBondContact NE2-ND1 3.01Å; N409-H413 PolarHBondContact O-N 2.79Å; L410-H413 PolarHBondContact O-N 3.48Å
414	V	98.8	Very high	98.5	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.9	177.2	-177.4	0	0	0	0	110.4	Q115 L363 L375 A377 N409 Y412 G416	Q115-V414 PolarHBondContact NE2-O 2.93Å; L363-V414 HydrophobicContact CD1-CG2 3.88Å; L363-V414 HydrophobicContact CD2-CG2 4.47Å; L375-V414 HydrophobicContact CB-CB 4.47Å; L375-V414 HydrophobicContact CB-CG2 3.95Å; L375-V414 CarbonylContact O-C 3.5Å; L375-V414 VanDerWaalsContact O-CA 3.31Å; L375-V414 WeakPolarHBondContact O-CA 3.3Å; L375-V414 WeakPolarHBondContact O-CG1 3.36Å; A377-V414 HydrophobicContact CB-CG1 4.15Å; N409-V414 HydrophobicContact CB-CB 3.86Å; N409-V414 HydrophobicContact CB-CG1 4.19Å; N409-V414 HydrophobicContact CB-CG2 3.97Å; N409-V414 VanDerWaalsContact O-CB 3.27Å; N409-V414 WeakPolarHBondContact O-CB 3.35Å; N409-V414 WeakPolarHBondContact O-CG2 3.35Å; N409-V414 PolarHBondContact O-N 3.05Å; N409-V414 WeakPolarHBondContact OD1-CG2 3.5Å; Y412-V414 VanDerWaalsContact C-N 3.26Å; Y412-V414 PolarHBondContact O-N 3.41Å; V414-G416 WeakPolarHBondContact CG1-O 3.43Å
415	V	98.9	Very high	98.5	Very high	17 Å²	17	14.2 Å²	14.2	10%	0.103	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-14.7	-173.2	-52.1	0	0	0	0	113.6	Q115 K116 V117 K118 M374 L375 F376	Q115-V415 HydrophobicContact CB-CG1 4.12Å; Q115-V415 HydrophobicContact CG-CG1 4.02Å; K116-V415 WeakPolarHBondContact O-CB 3.35Å; K116-V415 WeakPolarHBondContact O-CG1 3.34Å; V117-V415 CarbonylContact C-O 3.58Å; V117-V415 VanDerWaalsContact CA-O 3.23Å; V117-V415 WeakPolarHBondContact CA-O 3.27Å; V117-V415 WeakPolarHBondContact CG1-O 3.31Å; K118-V415 HydrophobicContact CB-CG2 4.03Å; K118-V415 PolarHBondContact N-O 2.81Å; M374-V415 HydrophobicContact CB-CG1 4.02Å; M374-V415 HydrophobicContact CB-CG2 4.29Å; M374-V415 HydrophobicContact CE-CG2 4.06Å; M374-V415 HydrophobicContact CG-CG2 4.36Å; M374-V415 HydrophobicContact SD-CG2 3.88Å; L375-V415 WeakPolarHBondContact O-CG2 3.37Å; L375-V415 PolarHBondContact O-N 3.13Å; F376-V415 HydrophobicContact CB-CG2 4.38Å; F376-V415 HydrophobicContact CD2-CG2 3.99Å
416	G	98.8	Very high	98.5	Very high	2 Å²	2	16.9 Å²	16.9	2%	0.021	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	164.8	177.7	0	0	0	0	0	112	G119 A377 V414	G119-G416 WeakPolarHBondContact O-CA 3.23Å; A377-G416 PolarHBondContact N-O 3.11Å; V414-G416 WeakPolarHBondContact CG1-O 3.43Å
417	W	98.8	Very high	98.5	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.019	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	125	-173.6	-163.8	104.7	0	0	0	110.6	G119 F120 G121 A377 A380 Y402 S405 I406 D419 L459	G119-W417 PolarHBondContact O-N 3.34Å; F120-W417 WeakPolarHBondContact CA-O 3.47Å; F120-W417 HydrophobicContact CD1-CB 4.03Å; F120-W417 HydrophobicContact CE1-CB 4.14Å; G121-W417 PolarHBondContact N-O 3.47Å; A377-W417 HydrophobicContact CB-CB 4.34Å; A377-W417 HydrophobicContact CB-CG 4.06Å; A377-W417 CarbonylContact O-C 3.3Å; A377-W417 WeakPolarHBondContact O-CA 3.46Å; A380-W417 HydrophobicContact CB-CH2 3.58Å; A380-W417 HydrophobicContact CB-CZ2 3.31Å; A380-W417 HydrophobicContact CB-CZ3 4.44Å; Y402-W417 HydrophobicContact CD1-CH2 4.46Å; Y402-W417 AromaticContact CD2-CH2 3.6Å; Y402-W417 HydrophobicContact CD2-CH2 3.6Å; Y402-W417 HydrophobicContact CD2-CZ3 4Å; Y402-W417 HydrophobicContact CE1-CH2 4.49Å; Y402-W417 AromaticContact CE2-CH2 3.65Å; Y402-W417 HydrophobicContact CE2-CH2 3.65Å; Y402-W417 AromaticContact CE2-CZ3 3.99Å; Y402-W417 HydrophobicContact CE2-CZ3 3.99Å; Y402-W417 HydrophobicContact CG-CH2 4.02Å; S405-W417 PolarHBondContact OG-NE1 2.96Å; I406-W417 HydrophobicContact CD1-CD2 4.21Å; I406-W417 HydrophobicContact CD1-CE3 4.24Å; I406-W417 HydrophobicContact CG1-CB 4.27Å; I406-W417 HydrophobicContact CG1-CD2 3.6Å; I406-W417 HydrophobicContact CG1-CE3 4.14Å; I406-W417 HydrophobicContact CG1-CG 3.68Å; I406-W417 HydrophobicContact CG1-CZ2 4.33Å; W417-D419 HydrophobicContact CZ3-CB 4.02Å; W417-L459 HydrophobicContact CE3-CD1 4.12Å; W417-L459 HydrophobicContact CZ3-CD1 3.66Å; W417-L459 HydrophobicContact CZ3-CG 4.44Å
418	T	98.8	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.9	-171.7	-42	0	0	0	0	109.4	I157 R159 F376 A377 S378 E379 A380	I157-T418 HydrophobicContact CG2-CG2 4.29Å; R159-T418 HydrophobicContact CB-CG2 4.18Å; F376-T418 WeakPolarHBondContact CE1-OG1 3.46Å; F376-T418 WeakPolarHBondContact CZ-OG1 3.4Å; A377-T418 PolarHBondContact O-N 3.21Å; A377-T418 PolarHBondContact O-OG1 3Å; A377-T418 VanDerWaalsContact O-OG1 3.1Å; S378-T418 WeakPolarHBondContact O-CB 3.17Å; E379-T418 CarbonylContact C-O 3.59Å; E379-T418 WeakPolarHBondContact CA-O 3Å; A380-T418 PolarHBondContact N-O 2.91Å
419	D	98.4	Very high	98.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	165.3	170.8	-179.3	46	0	0	0	111.3	G121 G122 A123 Y402 W417 P440 L459	G121-D419 WeakPolarHBondContact O-CB 3.07Å; G121-D419 PolarHBondContact O-N 3.25Å; G122-D419 WeakPolarHBondContact CA-O 3.22Å; A123-D419 PolarHBondContact N-O 3.37Å; Y402-D419 VanDerWaalsContact CE2-OD1 3.23Å; Y402-D419 WeakPolarHBondContact CE2-OD1 3.39Å; Y402-D419 VanDerWaalsContact CZ-OD1 3.3Å; Y402-D419 PolarHBondContact OH-OD1 3.34Å; W417-D419 HydrophobicContact CZ3-CB 4.02Å; D419-P440 WeakPolarHBondContact OD2-CD 3.4Å; D419-P440 WeakPolarHBondContact OD2-CG 3.4Å; D419-L459 HydrophobicContact CB-CD1 3.99Å
420	W	97.2	Very high	98.4	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.027	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-130.9	171.4	-158.9	-144.6	0	0	0	112.5	A123 R159 F167 W218 E379 A380 C381 L422	A123-W420 WeakPolarHBondContact CA-O 3.48Å; A123-W420 HydrophobicContact CB-CE3 3.86Å; A123-W420 HydrophobicContact CB-CZ3 4.32Å; A123-W420 WeakPolarHBondContact CB-O 3.42Å; A123-W420 PolarHBondContact N-O 3.18Å; R159-W420 VanDerWaalsContact NH1-CH2 3.27Å; F167-W420 AromaticContact CD2-NE1 3.29Å; F167-W420 VanDerWaalsContact CD2-NE1 3.29Å; F167-W420 AromaticContact CE2-CD1 3.87Å; F167-W420 AromaticContact CE2-NE1 3.33Å; F167-W420 VanDerWaalsContact CE2-NE1 3.33Å; W218-W420 AromaticContact CH2-CH2 3.5Å; W218-W420 HydrophobicContact CH2-CH2 3.5Å; W218-W420 VanDerWaalsContact CH2-CH2 3.5Å; W218-W420 HydrophobicContact CH2-CZ2 4.2Å; W218-W420 HydrophobicContact CH2-CZ3 4.19Å; W218-W420 AromaticContact CZ2-CH2 3.1Å; W218-W420 HydrophobicContact CZ2-CH2 3.1Å; W218-W420 AromaticContact CZ2-CZ2 3.42Å; W218-W420 HydrophobicContact CZ2-CZ2 3.42Å; W218-W420 VanDerWaalsContact CZ2-CZ2 3.42Å; W218-W420 HydrophobicContact CZ2-CZ3 4.19Å; E379-W420 HydrophobicContact CB-CE3 4.1Å; E379-W420 HydrophobicContact CB-CZ3 4.04Å; E379-W420 HydrophobicContact CG-CD2 3.83Å; E379-W420 HydrophobicContact CG-CE3 3.39Å; E379-W420 HydrophobicContact CG-CG 4.34Å; E379-W420 HydrophobicContact CG-CH2 4.2Å; E379-W420 HydrophobicContact CG-CZ3 3.58Å; E379-W420 WeakPolarHBondContact OE1-CZ2 3.04Å; E379-W420 WeakPolarHBondContact OE2-CH2 3.43Å; E379-W420 WeakPolarHBondContact OE2-CZ3 3.45Å; A380-W420 PolarHBondContact O-N 2.99Å; C381-W420 HydrophobicContact CB-CB 3.72Å; C381-W420 HydrophobicContact CB-CG 4.44Å; W420-L422 PolarHBondContact O-N 2.91Å; W420-L422 VanDerWaalsContact O-N 3.12Å
421	N	98.7	Very high	98.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	118.4	-176.6	-61.6	-74.2	0	0	0	112.1	T125 F167 A423 L424 S439	T125-N421 WeakPolarHBondContact CB-OD1 3.19Å; T125-N421 VanDerWaalsContact CG2-OD1 3.24Å; T125-N421 WeakPolarHBondContact CG2-OD1 3.08Å; T125-N421 PolarHBondContact OG1-OD1 3.44Å; F167-N421 WeakPolarHBondContact CB-OD1 3.33Å; F167-N421 WeakPolarHBondContact CD1-ND2 3.29Å; F167-N421 WeakPolarHBondContact CD1-OD1 3.23Å; F167-N421 WeakPolarHBondContact CD2-ND2 3.43Å; F167-N421 VanDerWaalsContact CE1-ND2 3.27Å; F167-N421 WeakPolarHBondContact CE1-ND2 3.44Å; F167-N421 WeakPolarHBondContact CE2-ND2 3.37Å; F167-N421 VanDerWaalsContact CG-ND2 3.35Å; F167-N421 WeakPolarHBondContact CG-ND2 3.42Å; F167-N421 VanDerWaalsContact CG-OD1 3.28Å; F167-N421 WeakPolarHBondContact CG-OD1 3.48Å; F167-N421 WeakPolarHBondContact CZ-ND2 3.49Å; N421-A423 PolarHBondContact O-N 3.39Å; N421-A423 VanDerWaalsContact O-N 3.11Å; N421-L424 HydrophobicContact CB-CD1 3.99Å; N421-L424 HydrophobicContact CB-CD2 3.72Å; N421-L424 HydrophobicContact CB-CG 3.66Å; N421-S439 WeakPolarHBondContact O-CB 3.46Å; N421-S439 PolarHBondContact O-OG 3.49Å
422	L	98.8	Very high	98.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.108	C	C	.	.	S	Bend	trans	-55.6	-29.6	175.8	-75.8	166.9	0	0	0	113.2	A123 M124 A128 Y147 F148 Y155 W420	A123-L422 WeakPolarHBondContact O-CG 3.44Å; A123-L422 PolarHBondContact O-N 2.87Å; A123-L422 VanDerWaalsContact O-N 3.12Å; M124-L422 HydrophobicContact CB-CD1 4.36Å; M124-L422 HydrophobicContact CE-CD1 3.69Å; M124-L422 HydrophobicContact SD-CD1 4.26Å; A128-L422 HydrophobicContact CB-CB 4.21Å; Y147-L422 HydrophobicContact CD1-CD2 4.47Å; Y147-L422 HydrophobicContact CD2-CD2 4.03Å; Y147-L422 HydrophobicContact CE1-CD2 4.44Å; Y147-L422 HydrophobicContact CE2-CB 4.17Å; Y147-L422 HydrophobicContact CE2-CD2 3.95Å; Y147-L422 WeakPolarHBondContact CE2-O 3.31Å; Y147-L422 HydrophobicContact CG-CD2 4.28Å; Y147-L422 VanDerWaalsContact CZ-O 3.28Å; Y147-L422 PolarHBondContact OH-O 2.95Å; F148-L422 HydrophobicContact CZ-CD1 4.11Å; F148-L422 HydrophobicContact CZ-CD2 4.42Å; Y155-L422 HydrophobicContact CD2-CD2 4.02Å; Y155-L422 HydrophobicContact CE2-CD2 3.68Å; W420-L422 PolarHBondContact O-N 2.91Å; W420-L422 VanDerWaalsContact O-N 3.12Å
423	A	98.8	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.			trans	-150.7	145.8	173.7	0	0	0	0	0	111.2	A128 N131 I132 N421 S439 I441 V443	A128-A423 WeakPolarHBondContact CA-O 3.33Å; N131-A423 HydrophobicContact CB-CB 4.35Å; I132-A423 HydrophobicContact CD1-CB 4.43Å; I132-A423 HydrophobicContact CG1-CB 3.99Å; N421-A423 PolarHBondContact O-N 3.39Å; N421-A423 VanDerWaalsContact O-N 3.11Å; A423-S439 WeakPolarHBondContact CA-OG 3.41Å; A423-I441 VanDerWaalsContact CA-O 3.32Å; A423-I441 WeakPolarHBondContact CA-O 3.27Å; A423-V443 HydrophobicContact CB-CG2 4.06Å
424	L	98.9	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-135	165.6	171	-68.8	173.5	0	0	0	111	A127 F167 N421 G429 V437 I441 I442 V443	A127-L424 HydrophobicContact CB-CD2 4.14Å; F167-L424 HydrophobicContact CD1-CD2 3.76Å; F167-L424 HydrophobicContact CE1-CD1 4.12Å; F167-L424 HydrophobicContact CE1-CD2 3.76Å; N421-L424 HydrophobicContact CB-CD1 3.99Å; N421-L424 HydrophobicContact CB-CD2 3.72Å; N421-L424 HydrophobicContact CB-CG 3.66Å; L424-G429 WeakPolarHBondContact CD2-O 3.49Å; L424-V437 HydrophobicContact CD1-CG2 3.76Å; L424-V437 WeakPolarHBondContact CD1-O 3.16Å; L424-I441 PolarHBondContact N-O 3.4Å; L424-I441 VanDerWaalsContact N-O 3.16Å; L424-I442 HydrophobicContact CB-CD1 4.22Å; L424-I442 CarbonylContact O-C 3.53Å; L424-I442 VanDerWaalsContact O-CA 3.26Å; L424-I442 WeakPolarHBondContact O-CA 3.29Å; L424-V443 PolarHBondContact O-N 3.23Å
425	N	98.5	Very high	97.9	Very high	33 Å²	33	29.3 Å²	29.3	18%	0.176	14%	0.141	C	C	.	.			trans	-79.5	175.5	170.1	74.7	12.5	0	0	0	111.2	N131 E427 G428 G429	N131-N425 PolarHBondContact ND2-N 3.26Å; N131-N425 WeakPolarHBondContact OD1-CB 3.16Å; N131-N425 PolarHBondContact OD1-N 3.13Å; N425-E427 PolarHBondContact O-N 2.75Å; N425-E427 WeakPolarHBondContact OD1-CA 3.4Å; N425-E427 WeakPolarHBondContact OD1-CB 3.47Å; N425-E427 PolarHBondContact OD1-N 2.81Å; N425-G428 PolarHBondContact O-N 3.29Å; N425-G428 PolarHBondContact OD1-N 3.47Å; N425-G429 VanDerWaalsContact CG-O 3.3Å; N425-G429 PolarHBondContact N-O 3.5Å; N425-G429 PolarHBondContact OD1-N 2.87Å; N425-G429 PolarHBondContact OD1-O 3.06Å
426	P	97.6	Very high	97.8	Very high	59 Å²	59	29.6 Å²	29.6	38%	0.383	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.1	-179.4	-20.3	34.9	0	0	0	115.5	I442 V443	P426-I442 HydrophobicContact CB-CG2 4.24Å; P426-I442 HydrophobicContact CG-CG2 3.98Å; P426-V443 WeakPolarHBondContact CD-O 3.42Å
427	E	96.7	Very high	97.7	Very high	95 Å²	95	29.6 Å²	29.6	44%	0.444	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.1	169.3	-164.3	178.8	-171.3	0	0	111.1	N425 R434 F436	N425-E427 PolarHBondContact O-N 2.75Å; N425-E427 WeakPolarHBondContact OD1-CA 3.4Å; N425-E427 WeakPolarHBondContact OD1-CB 3.47Å; N425-E427 PolarHBondContact OD1-N 2.81Å; E427-R434 IonicContact OE1-CZ 2.75Å; E427-R434 IonicContact OE1-NH1 2.67Å; E427-R434 IonicContact OE1-NH2 2.8Å; E427-R434 PolarHBondContact OE1-NH2 3.21Å; E427-F436 VanDerWaalsContact CD-CE2 3.47Å; E427-F436 HydrophobicContact CG-CD2 3.94Å; E427-F436 HydrophobicContact CG-CE2 3.66Å; E427-F436 HydrophobicContact CG-CZ 4.05Å; E427-F436 WeakPolarHBondContact O-CB 3.21Å; E427-F436 VanDerWaalsContact OE1-CE2 3.23Å; E427-F436 WeakPolarHBondContact OE1-CE2 3.49Å
428	G	97.9	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	94.5	28.1	-173.7	0	0	0	0	0	113.5	V391 N425 F436 V437	V391-G428 VanDerWaalsContact CG2-CA 3.46Å; N425-G428 PolarHBondContact O-N 3.29Å; N425-G428 PolarHBondContact OD1-N 3.47Å; G428-F436 VanDerWaalsContact O-CA 3.32Å; G428-F436 WeakPolarHBondContact O-CA 3.27Å; G428-F436 WeakPolarHBondContact O-CB 3.36Å; G428-F436 WeakPolarHBondContact O-CD1 3.27Å; G428-V437 WeakPolarHBondContact CA-O 3.38Å; G428-V437 PolarHBondContact O-N 2.95Å
429	G	97.2	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.			trans	-138.5	-159.7	-176.9	0	0	0	0	0	114.2	N131 L424 N425	N131-G429 PolarHBondContact ND2-O 2.97Å; L424-G429 WeakPolarHBondContact CD2-O 3.49Å; N425-G429 VanDerWaalsContact CG-O 3.3Å; N425-G429 PolarHBondContact N-O 3.5Å; N425-G429 PolarHBondContact OD1-N 2.87Å; N425-G429 PolarHBondContact OD1-O 3.06Å
430	P	98.3	Very high	97.6	Very high	33 Å²	33	29.4 Å²	29.4	21%	0.214	14%	0.141	C	C	.	.			cis	-70.5	155.1	7.2	30.5	-36.6	0	0	0	113.3	A127 L130 N131 F167 I169	A127-P430 HydrophobicContact CB-CG 3.97Å; A127-P430 WeakPolarHBondContact CB-O 3.47Å; L130-P430 HydrophobicContact CD1-CG 4.19Å; N131-P430 VanDerWaalsContact ND2-CD 3.31Å; N131-P430 WeakPolarHBondContact ND2-CD 3.48Å; F167-P430 WeakPolarHBondContact CD1-O 3.43Å; I169-P430 HydrophobicContact CG2-CB 3.67Å; I169-P430 HydrophobicContact CG2-CG 3.79Å
431	N	98.3	Very high	97.7	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.048	14%	0.139	C	C	.	.			trans	-156.1	122.3	176	179.8	-64.7	0	0	0	107.3	D166 F167 V433 R434 N435 F436	D166-N431 VanDerWaalsContact C-ND2 3.3Å; D166-N431 VanDerWaalsContact CG-ND2 3.34Å; D166-N431 CarbonylContact O-C 3.19Å; D166-N431 VanDerWaalsContact O-CA 3.23Å; D166-N431 WeakPolarHBondContact O-CA 3.39Å; D166-N431 PolarHBondContact O-ND2 3.15Å; D166-N431 PolarHBondContact O-OD1 2.93Å; D166-N431 PolarHBondContact OD2-ND2 2.7Å; F167-N431 HydrophobicContact CD1-CB 4.08Å; F167-N431 WeakPolarHBondContact CD2-ND2 3.34Å; F167-N431 HydrophobicContact CE1-CB 4.01Å; F167-N431 VanDerWaalsContact CE2-ND2 3.31Å; F167-N431 WeakPolarHBondContact CE2-ND2 3.26Å; F167-N431 HydrophobicContact CZ-CB 4.5Å; F167-N431 VanDerWaalsContact CZ-ND2 3.34Å; F167-N431 WeakPolarHBondContact CZ-ND2 3.22Å; N431-V433 VanDerWaalsContact C-N 3.29Å; N431-V433 PolarHBondContact O-N 2.93Å; N431-V433 WeakPolarHBondContact OD1-CG2 3.04Å; N431-V433 PolarHBondContact OD1-N 2.87Å; N431-R434 PolarHBondContact O-N 2.97Å; N431-R434 VanDerWaalsContact O-N 3.07Å; N431-R434 PolarHBondContact OD1-N 2.86Å; N431-R434 VanDerWaalsContact OD1-N 3.17Å; N431-N435 PolarHBondContact ND2-O 3.32Å; N431-N435 PolarHBondContact OD1-N 3.44Å; N431-F436 HydrophobicContact CB-CD1 3.75Å; N431-F436 HydrophobicContact CB-CE1 3.84Å
432	W	98.2	Very high	97.7	Very high	89 Å²	89	29 Å²	29	34%	0.337	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.7	-167.6	73.2	-86.1	0	0	0	114.1	C165 D166 S168 T171 F285	C165-W432 PolarHBondContact O-NE1 3.24Å; D166-W432 PolarHBondContact O-N 2.63Å; D166-W432 VanDerWaalsContact O-N 3.09Å; S168-W432 WeakPolarHBondContact O-CB 3.49Å; S168-W432 PolarHBondContact O-N 2.79Å; S168-W432 VanDerWaalsContact O-N 3.14Å; T171-W432 HydrophobicContact CG2-CD2 4Å; T171-W432 HydrophobicContact CG2-CE3 4.41Å; T171-W432 HydrophobicContact CG2-CH2 4Å; T171-W432 HydrophobicContact CG2-CZ2 3.52Å; T171-W432 HydrophobicContact CG2-CZ3 4.41Å; F285-W432 HydrophobicContact CB-CZ2 4.13Å
433	V	97.2	Very high	97.7	Very high	44 Å²	44	29 Å²	29	27%	0.267	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	5.3	173.5	-66.2	0	0	0	0	113.5	D166 F285 N431 N435	D166-V433 HydrophobicContact CB-CG2 4Å; F285-V433 HydrophobicContact CB-CG1 4.06Å; F285-V433 HydrophobicContact CB-CG2 4Å; F285-V433 HydrophobicContact CD1-CG2 3.95Å; F285-V433 HydrophobicContact CG-CG2 4.38Å; N431-V433 VanDerWaalsContact C-N 3.29Å; N431-V433 PolarHBondContact O-N 2.93Å; N431-V433 WeakPolarHBondContact OD1-CG2 3.04Å; N431-V433 PolarHBondContact OD1-N 2.87Å; V433-N435 HydrophobicContact CG2-CB 3.76Å; V433-N435 PolarHBondContact O-N 3.48Å
434	R	95.5	Very high	97.7	Very high	162 Å²	162	29.8 Å²	29.8	61%	0.611	14%	0.143	S	C	*	.			trans	60.9	27.1	-175.4	-50.5	178.9	63.8	75.8	9.1	114.1	E427 N431 F436	E427-R434 IonicContact OE1-CZ 2.75Å; E427-R434 IonicContact OE1-NH1 2.67Å; E427-R434 IonicContact OE1-NH2 2.8Å; E427-R434 PolarHBondContact OE1-NH2 3.21Å; N431-R434 PolarHBondContact O-N 2.97Å; N431-R434 VanDerWaalsContact O-N 3.07Å; N431-R434 PolarHBondContact OD1-N 2.86Å; N431-R434 VanDerWaalsContact OD1-N 3.17Å; R434-F436 HydrophobicContact CB-CD2 4.28Å; R434-F436 HydrophobicContact CB-CE1 4.5Å; R434-F436 HydrophobicContact CB-CE2 3.75Å; R434-F436 HydrophobicContact CB-CZ 3.88Å; R434-F436 HydrophobicContact CG-CE2 4.17Å; R434-F436 HydrophobicContact CG-CZ 3.99Å; R434-F436 PolarHBondContact O-N 3.09Å
435	N	94.8	Very high	97.7	Very high	57 Å²	57	33.9 Å²	33.9	31%	0.305	16%	0.164	S	C	.	.			trans	-77.4	59.1	173.1	-175.9	45.2	0	0	0	110.9	D166 F167 N431 V433	D166-N435 PolarHBondContact OD2-ND2 2.85Å; F167-N435 WeakPolarHBondContact CZ-O 3.02Å; N431-N435 PolarHBondContact ND2-O 3.32Å; N431-N435 PolarHBondContact OD1-N 3.44Å; V433-N435 HydrophobicContact CG2-CB 3.76Å; V433-N435 PolarHBondContact O-N 3.48Å
436	F	96.2	Very high	97.6	Very high	24 Å²	24	38 Å²	38	11%	0.105	19%	0.191	C	C	.	.			trans	-74.9	143.1	-170.4	-57.4	-48.6	0	0	0	113.2	S390 E427 G428 N431 R434	S390-F436 VanDerWaalsContact CB-C 3.47Å; S390-F436 VanDerWaalsContact CB-O 3.27Å; S390-F436 WeakPolarHBondContact CB-O 3.47Å; S390-F436 VanDerWaalsContact OG-C 3.3Å; S390-F436 VanDerWaalsContact OG-CB 3.31Å; S390-F436 WeakPolarHBondContact OG-CB 3.44Å; S390-F436 PolarHBondContact OG-O 3.05Å; E427-F436 VanDerWaalsContact CD-CE2 3.47Å; E427-F436 HydrophobicContact CG-CD2 3.94Å; E427-F436 HydrophobicContact CG-CE2 3.66Å; E427-F436 HydrophobicContact CG-CZ 4.05Å; E427-F436 WeakPolarHBondContact O-CB 3.21Å; E427-F436 VanDerWaalsContact OE1-CE2 3.23Å; E427-F436 WeakPolarHBondContact OE1-CE2 3.49Å; G428-F436 VanDerWaalsContact O-CA 3.32Å; G428-F436 WeakPolarHBondContact O-CA 3.27Å; G428-F436 WeakPolarHBondContact O-CB 3.36Å; G428-F436 WeakPolarHBondContact O-CD1 3.27Å; N431-F436 HydrophobicContact CB-CD1 3.75Å; N431-F436 HydrophobicContact CB-CE1 3.84Å; R434-F436 HydrophobicContact CB-CD2 4.28Å; R434-F436 HydrophobicContact CB-CE1 4.5Å; R434-F436 HydrophobicContact CB-CE2 3.75Å; R434-F436 HydrophobicContact CB-CZ 3.88Å; R434-F436 HydrophobicContact CG-CE2 4.17Å; R434-F436 HydrophobicContact CG-CZ 3.99Å; R434-F436 PolarHBondContact O-N 3.09Å
437	V	96.4	Very high	97.7	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.196	C	C	.	.			trans	-136.8	176.9	-179.2	-55.5	0	0	0	0	111.5	F167 C381 S390 L424 G428	F167-V437 HydrophobicContact CE1-CG2 4.18Å; F167-V437 HydrophobicContact CE2-CG2 4.24Å; F167-V437 HydrophobicContact CZ-CB 4.39Å; F167-V437 HydrophobicContact CZ-CG1 4.21Å; F167-V437 HydrophobicContact CZ-CG2 3.53Å; C381-V437 HydrophobicContact CB-CG2 4.28Å; S390-V437 CarbonylContact O-C 3.48Å; L424-V437 HydrophobicContact CD1-CG2 3.76Å; L424-V437 WeakPolarHBondContact CD1-O 3.16Å; G428-V437 WeakPolarHBondContact CA-O 3.38Å; G428-V437 PolarHBondContact O-N 2.95Å
438	D	97.6	Very high	97.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.011	19%	0.186	C	C	.	.			trans	-84.8	161.8	171.2	-141.8	-33.4	0	0	0	110.8	V382 S390 R392 R398 Q453 M455	V382-D438 HydrophobicContact CG2-CB 3.98Å; V382-D438 PolarHBondContact O-N 2.76Å; S390-D438 WeakPolarHBondContact O-CA 3.2Å; S390-D438 VanDerWaalsContact O-CB 3.24Å; S390-D438 WeakPolarHBondContact O-CB 3.37Å; S390-D438 PolarHBondContact O-N 2.84Å; S390-D438 VanDerWaalsContact O-N 3.08Å; R392-D438 PolarHBondContact N-OD2 2.92Å; R398-D438 WeakPolarHBondContact CD-OD2 3.24Å; R398-D438 IonicContact CZ-OD2 3.45Å; R398-D438 IonicContact NE-OD2 3.36Å; R398-D438 IonicContact NH1-OD2 3.62Å; R398-D438 PolarHBondContact NH1-OD2 2.91Å; D438-Q453 PolarHBondContact OD1-NE2 2.92Å; D438-Q453 PolarHBondContact OD2-NE2 2.86Å; D438-M455 HydrophobicContact CB-CE 3.78Å; D438-M455 HydrophobicContact CB-SD 4.45Å; D438-M455 WeakPolarHBondContact OD1-CE 3.3Å
439	S	98.6	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.			trans	-139.9	147.9	173.7	167.6	0	0	0	0	109.6	N421 A423 I441 Q453 M455	N421-S439 WeakPolarHBondContact O-CB 3.46Å; N421-S439 PolarHBondContact O-OG 3.49Å; A423-S439 WeakPolarHBondContact CA-OG 3.41Å; S439-I441 PolarHBondContact O-N 2.78Å; S439-I441 VanDerWaalsContact O-N 3.09Å; S439-I441 PolarHBondContact OG-N 2.71Å; S439-I441 PolarHBondContact OG-O 3.26Å; S439-Q453 WeakPolarHBondContact O-CG 3.5Å; S439-M455 WeakPolarHBondContact O-CE 3.4Å
440	P	98.8	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-57.7	-21.3	176.6	-25.7	36.6	0	0	0	114.9	Y402 D419 Q453 M455 F456	Y402-P440 HydrophobicContact CE2-CG 3.9Å; D419-P440 WeakPolarHBondContact OD2-CD 3.4Å; D419-P440 WeakPolarHBondContact OD2-CG 3.4Å; P440-Q453 WeakPolarHBondContact O-CB 3.28Å; P440-Q453 PolarHBondContact O-N 2.81Å; P440-M455 HydrophobicContact CB-CB 4.15Å; P440-M455 HydrophobicContact CG-CB 4.1Å; P440-F456 HydrophobicContact CB-CB 3.94Å
441	I	98.9	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127	169.3	-68.3	-175.9	0	0	0	110.9	L143 Y147 A423 L424 S439 V443 F450 Y451 K452 F456	L143-I441 HydrophobicContact CD1-CG2 3.88Å; L143-I441 HydrophobicContact CD2-CD1 4.46Å; L143-I441 HydrophobicContact CG-CD1 4.09Å; L143-I441 HydrophobicContact CG-CG2 4.2Å; Y147-I441 HydrophobicContact CD2-CD1 4.19Å; Y147-I441 HydrophobicContact CE1-CD1 4.41Å; Y147-I441 HydrophobicContact CE2-CB 4.45Å; Y147-I441 HydrophobicContact CE2-CD1 3.56Å; Y147-I441 HydrophobicContact CE2-CG1 4.1Å; Y147-I441 WeakPolarHBondContact OH-CG1 3.4Å; Y147-I441 PolarHBondContact OH-N 2.81Å; A423-I441 VanDerWaalsContact CA-O 3.32Å; A423-I441 WeakPolarHBondContact CA-O 3.27Å; L424-I441 PolarHBondContact N-O 3.4Å; L424-I441 VanDerWaalsContact N-O 3.16Å; S439-I441 PolarHBondContact O-N 2.78Å; S439-I441 VanDerWaalsContact O-N 3.09Å; S439-I441 PolarHBondContact OG-N 2.71Å; S439-I441 PolarHBondContact OG-O 3.26Å; I441-V443 HydrophobicContact CG2-CG2 4.42Å; I441-F450 HydrophobicContact CD1-CD2 4.22Å; I441-F450 HydrophobicContact CD1-CE2 4.25Å; I441-F450 HydrophobicContact CG2-CB 3.88Å; I441-F450 HydrophobicContact CG2-CD2 3.68Å; I441-F450 HydrophobicContact CG2-CG 4.16Å; I441-Y451 WeakPolarHBondContact CA-O 3.24Å; I441-K452 HydrophobicContact CD1-CG 3.96Å; I441-K452 HydrophobicContact CG1-CG 3.92Å; I441-F456 HydrophobicContact CD1-CD2 4.08Å; I441-F456 HydrophobicContact CD1-CE2 4.18Å; I441-F456 HydrophobicContact CG1-CD2 4.09Å
442	I	98.9	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.6	175.5	-57.3	-61.6	0	0	0	110.4	V391 L393 L424 P426 F450 Y451 Q453	V391-I442 HydrophobicContact CB-CD1 4.44Å; V391-I442 HydrophobicContact CG1-CD1 3.76Å; V391-I442 HydrophobicContact CG1-CG1 3.73Å; V391-I442 HydrophobicContact CG1-CG2 4.34Å; V391-I442 HydrophobicContact CG2-CD1 3.75Å; L393-I442 HydrophobicContact CD2-CB 3.83Å; L393-I442 HydrophobicContact CD2-CG1 3.87Å; L393-I442 HydrophobicContact CD2-CG2 4.03Å; L424-I442 HydrophobicContact CB-CD1 4.22Å; L424-I442 CarbonylContact O-C 3.53Å; L424-I442 VanDerWaalsContact O-CA 3.26Å; L424-I442 WeakPolarHBondContact O-CA 3.29Å; P426-I442 HydrophobicContact CB-CG2 4.24Å; P426-I442 HydrophobicContact CG-CG2 3.98Å; I442-F450 CarbonylContact O-C 3.57Å; I442-F450 VanDerWaalsContact O-CA 3.26Å; I442-F450 WeakPolarHBondContact O-CA 3.47Å; I442-Y451 HydrophobicContact CB-CD2 4.48Å; I442-Y451 HydrophobicContact CG2-CD2 4.43Å; I442-Y451 PolarHBondContact N-O 2.9Å; I442-Y451 PolarHBondContact O-N 2.93Å; I442-Q453 HydrophobicContact CG1-CG 4.16Å
443	V	98.9	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.5	-176.6	178.6	0	0	0	0	111.3	N131 L135 L143 A423 L424 P426 I441 I445 F450	N131-V443 HydrophobicContact CB-CB 4.24Å; N131-V443 HydrophobicContact CB-CG2 4.2Å; L135-V443 HydrophobicContact CD1-CG1 4.05Å; L135-V443 HydrophobicContact CD1-CG2 4.24Å; L135-V443 HydrophobicContact CD2-CG1 3.79Å; L135-V443 HydrophobicContact CG-CG1 3.7Å; L143-V443 HydrophobicContact CD1-CG2 3.92Å; A423-V443 HydrophobicContact CB-CG2 4.06Å; L424-V443 PolarHBondContact O-N 3.23Å; P426-V443 WeakPolarHBondContact CD-O 3.42Å; I441-V443 HydrophobicContact CG2-CG2 4.42Å; V443-I445 HydrophobicContact CG1-CG1 3.98Å; V443-F450 HydrophobicContact CG2-CB 4.17Å
444	D	98.6	Very high	98.1	Very high	16 Å²	16	31 Å²	31	9%	0.086	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	85.2	172.9	-172.5	-13.9	0	0	0	109.5	T446 K447 D448 T449 Y451	D444-T446 PolarHBondContact O-N 3.3Å; D444-T446 VanDerWaalsContact O-N 3.15Å; D444-T446 PolarHBondContact OD1-N 2.85Å; D444-T446 PolarHBondContact OD1-OG1 2.74Å; D444-K447 VanDerWaalsContact CG-NZ 3.34Å; D444-K447 PolarHBondContact O-N 2.04Å; D444-K447 IonicContact OD1-NZ 3.24Å; D444-K447 PolarHBondContact OD1-NZ 3.32Å; D444-K447 WeakPolarHBondContact OD2-CD 3.43Å; D444-K447 WeakPolarHBondContact OD2-CE 3.32Å; D444-K447 IonicContact OD2-NZ 3.52Å; D444-K447 PolarHBondContact OD2-NZ 3.14Å; D444-D448 PolarHBondContact O-N 2.84Å; D444-T449 CarbonylContact C-O 3.59Å; D444-T449 WeakPolarHBondContact CA-O 3.32Å; D444-T449 PolarHBondContact N-O 2.97Å; D444-T449 PolarHBondContact O-N 3.29Å; D444-Y451 HydrophobicContact CB-CE2 3.75Å; D444-Y451 PolarHBondContact OD2-OH 3.36Å; D444-Y451 VanDerWaalsContact OD2-OH 3.09Å
445	I	97.9	Very high	98.2	Very high	86 Å²	86	23.3 Å²	23.3	44%	0.441	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-52.8	-36.9	-177.6	-56.8	170	0	0	0	111.1	A134 V443 K447 D448	A134-I445 HydrophobicContact CB-CD1 3.59Å; A134-I445 HydrophobicContact CB-CG1 3.75Å; A134-I445 HydrophobicContact CB-CG2 4.02Å; V443-I445 HydrophobicContact CG1-CG1 3.98Å; I445-K447 PolarHBondContact O-N 2.94Å; I445-K447 VanDerWaalsContact O-N 3.07Å; I445-D448 PolarHBondContact O-N 3.47Å
446	T	98.2	Very high	98.4	Very high	121 Å²	121	20.6 Å²	20.6	74%	0.742	11%	0.108	S	C	*	.	G	3₁₀ helix	trans	-64.4	-15.5	-178.2	71.3	0	0	0	0	114.2	D444	D444-T446 PolarHBondContact O-N 3.3Å; D444-T446 VanDerWaalsContact O-N 3.15Å; D444-T446 PolarHBondContact OD1-N 2.85Å; D444-T446 PolarHBondContact OD1-OG1 2.74Å
447	K	98.5	Very high	98.5	Very high	115 Å²	115	19.5 Å²	19.5	50%	0.5	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-123.7	7.5	-176.9	-59.6	-178.3	-165.8	63.5	0	113	D444 I445 T449	D444-K447 VanDerWaalsContact CG-NZ 3.34Å; D444-K447 PolarHBondContact O-N 2.04Å; D444-K447 IonicContact OD1-NZ 3.24Å; D444-K447 PolarHBondContact OD1-NZ 3.32Å; D444-K447 WeakPolarHBondContact OD2-CD 3.43Å; D444-K447 WeakPolarHBondContact OD2-CE 3.32Å; D444-K447 IonicContact OD2-NZ 3.52Å; D444-K447 PolarHBondContact OD2-NZ 3.14Å; I445-K447 PolarHBondContact O-N 2.94Å; I445-K447 VanDerWaalsContact O-N 3.07Å; K447-T449 PolarHBondContact O-N 3.07Å; K447-T449 VanDerWaalsContact O-N 3.14Å; K447-T449 PolarHBondContact O-OG1 3.18Å
448	D	98.7	Very high	98.7	Very high	44 Å²	44	19.4 Å²	19.4	24%	0.235	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	44.9	-170.5	-169.2	33.8	0	0	0	112.3	N58 L135 S136 D444 I445	N58-D448 WeakPolarHBondContact CA-O 3.26Å; L135-D448 WeakPolarHBondContact CD2-OD1 3.3Å; S136-D448 WeakPolarHBondContact CB-OD2 3.25Å; S136-D448 PolarHBondContact N-OD1 3.06Å; S136-D448 VanDerWaalsContact OG-CG 3.31Å; S136-D448 PolarHBondContact OG-OD1 3.31Å; S136-D448 PolarHBondContact OG-OD2 3.1Å; D444-D448 PolarHBondContact O-N 2.84Å; I445-D448 PolarHBondContact O-N 3.47Å
449	T	98.8	Very high	98.7	Very high	14 Å²	14	19.3 Å²	19.3	9%	0.086	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.3	-166.7	-70.3	0	0	0	0	109.4	V56 C57 D444 K447 Y451	V56-T449 HydrophobicContact CG1-CG2 3.7Å; C57-T449 CarbonylContact O-C 3.5Å; C57-T449 VanDerWaalsContact O-CA 3.27Å; C57-T449 WeakPolarHBondContact O-CA 3.17Å; C57-T449 WeakPolarHBondContact O-CG2 3.33Å; D444-T449 CarbonylContact C-O 3.59Å; D444-T449 WeakPolarHBondContact CA-O 3.32Å; D444-T449 PolarHBondContact N-O 2.97Å; D444-T449 PolarHBondContact O-N 3.29Å; K447-T449 PolarHBondContact O-N 3.07Å; K447-T449 VanDerWaalsContact O-N 3.14Å; K447-T449 PolarHBondContact O-OG1 3.18Å; T449-Y451 HydrophobicContact CG2-CD1 4.15Å; T449-Y451 HydrophobicContact CG2-CE1 3.56Å
450	F	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.2	168	64.7	-85.6	0	0	0	111.7	C57 C62 L135 A139 L142 L143 I441 I442 V443 K452	C57-F450 HydrophobicContact CB-CD1 3.88Å; C57-F450 HydrophobicContact CB-CD2 3.81Å; C57-F450 HydrophobicContact CB-CE1 3.46Å; C57-F450 VanDerWaalsContact CB-CE1 3.46Å; C57-F450 HydrophobicContact CB-CE2 3.41Å; C57-F450 VanDerWaalsContact CB-CE2 3.41Å; C57-F450 HydrophobicContact CB-CG 4.04Å; C57-F450 HydrophobicContact CB-CZ 3.22Å; C57-F450 PolarHBondContact N-O 2.62Å; C57-F450 PolarHBondContact O-N 3.5Å; C62-F450 HydrophobicContact CB-CZ 4.35Å; C62-F450 VanDerWaalsContact SG-CZ 3.55Å; L135-F450 HydrophobicContact CD1-CB 4.43Å; L135-F450 HydrophobicContact CD1-CD1 3.91Å; L135-F450 HydrophobicContact CD1-CG 4.5Å; A139-F450 WeakPolarHBondContact O-CE1 3.28Å; L142-F450 HydrophobicContact CB-CE1 4.27Å; L142-F450 HydrophobicContact CB-CZ 4.11Å; L143-F450 VanDerWaalsContact CA-CZ 3.49Å; L143-F450 HydrophobicContact CB-CD1 4.28Å; L143-F450 HydrophobicContact CB-CD2 4.42Å; L143-F450 HydrophobicContact CB-CE1 3.9Å; L143-F450 HydrophobicContact CB-CE2 4.03Å; L143-F450 HydrophobicContact CB-CZ 3.75Å; L143-F450 HydrophobicContact CD1-CB 4.4Å; L143-F450 HydrophobicContact CD1-CD1 4.42Å; L143-F450 HydrophobicContact CD1-CD2 4.35Å; L143-F450 HydrophobicContact CD1-CG 4.17Å; L143-F450 HydrophobicContact CG-CD2 4.3Å; L143-F450 HydrophobicContact CG-CE2 4.26Å; L143-F450 HydrophobicContact CG-CZ 4.47Å; I441-F450 HydrophobicContact CD1-CD2 4.22Å; I441-F450 HydrophobicContact CD1-CE2 4.25Å; I441-F450 HydrophobicContact CG2-CB 3.88Å; I441-F450 HydrophobicContact CG2-CD2 3.68Å; I441-F450 HydrophobicContact CG2-CG 4.16Å; I442-F450 CarbonylContact O-C 3.57Å; I442-F450 VanDerWaalsContact O-CA 3.26Å; I442-F450 WeakPolarHBondContact O-CA 3.47Å; V443-F450 HydrophobicContact CG2-CB 4.17Å; F450-K452 HydrophobicContact CD2-CG 4.3Å; F450-K452 HydrophobicContact CE2-CD 4.11Å; F450-K452 HydrophobicContact CE2-CG 4.2Å
451	Y	98.9	Very high	98.7	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.4	-173.6	-57.4	-54.9	0	0	0	109.4	K46 F48 V54 C55 V56 L393 I441 I442 D444 T449 Q453	K46-Y451 HydrophobicContact CD-CE1 4.39Å; F48-Y451 HydrophobicContact CE2-CD1 4.45Å; F48-Y451 HydrophobicContact CE2-CE1 4.34Å; F48-Y451 HydrophobicContact CZ-CE1 4.05Å; F48-Y451 HydrophobicContact CZ-CE2 4.03Å; F48-Y451 AromaticContact CZ-CZ 3.78Å; V54-Y451 HydrophobicContact CG2-CD1 3.8Å; V54-Y451 HydrophobicContact CG2-CG 4.05Å; C55-Y451 WeakPolarHBondContact O-CA 3.45Å; V56-Y451 HydrophobicContact CG1-CD1 4.44Å; V56-Y451 HydrophobicContact CG1-CE1 4.17Å; V56-Y451 HydrophobicContact CG2-CD1 4.07Å; V56-Y451 HydrophobicContact CG2-CE1 4.08Å; L393-Y451 HydrophobicContact CD1-CD2 4.25Å; L393-Y451 HydrophobicContact CD1-CE2 4.45Å; L393-Y451 HydrophobicContact CD2-CD2 3.9Å; L393-Y451 HydrophobicContact CD2-CG 4.25Å; I441-Y451 WeakPolarHBondContact CA-O 3.24Å; I442-Y451 HydrophobicContact CB-CD2 4.48Å; I442-Y451 HydrophobicContact CG2-CD2 4.43Å; I442-Y451 PolarHBondContact N-O 2.9Å; I442-Y451 PolarHBondContact O-N 2.93Å; D444-Y451 HydrophobicContact CB-CE2 3.75Å; D444-Y451 PolarHBondContact OD2-OH 3.36Å; D444-Y451 VanDerWaalsContact OD2-OH 3.09Å; T449-Y451 HydrophobicContact CG2-CD1 4.15Å; T449-Y451 HydrophobicContact CG2-CE1 3.56Å; Y451-Q453 PolarHBondContact O-N 3.22Å
452	K	98.9	Very high	98.7	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.8	173.3	-69.9	159.7	71.1	-177.4	0	108.7	V54 C55 D63 I441 F450 F456 Y457	V54-K452 WeakPolarHBondContact CA-O 3.21Å; C55-K452 HydrophobicContact CB-CB 4.34Å; C55-K452 PolarHBondContact N-O 3.25Å; C55-K452 PolarHBondContact O-N 2.9Å; D63-K452 PolarHBondContact O-NZ 3.22Å; D63-K452 WeakPolarHBondContact OD1-CD 3.38Å; D63-K452 WeakPolarHBondContact OD1-CE 3.4Å; D63-K452 IonicContact OD1-NZ 3.28Å; D63-K452 PolarHBondContact OD1-NZ 2.99Å; D63-K452 IonicContact OD2-NZ 2.81Å; D63-K452 PolarHBondContact OD2-NZ 2.82Å; I441-K452 HydrophobicContact CD1-CG 3.96Å; I441-K452 HydrophobicContact CG1-CG 3.92Å; F450-K452 HydrophobicContact CD2-CG 4.3Å; F450-K452 HydrophobicContact CE2-CD 4.11Å; F450-K452 HydrophobicContact CE2-CG 4.2Å; K452-F456 HydrophobicContact CB-CB 4.46Å; K452-F456 HydrophobicContact CB-CD1 4.36Å; K452-F456 HydrophobicContact CB-CG 4.33Å; K452-F456 VanDerWaalsContact CE-CZ 3.45Å; K452-F456 HydrophobicContact CG-CG 4.41Å; K452-Y457 HydrophobicContact CB-CE2 3.83Å; K452-Y457 VanDerWaalsContact CE-OH 3.25Å; K452-Y457 WeakPolarHBondContact CE-OH 3.35Å
453	Q	98.8	Very high	98.7	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	10%	0.102	C	C	.	.			trans	-71.9	161.2	-179.2	-71.5	-85.8	45.7	0	0	111.3	R392 D438 S439 P440 I442 Y451 M455 F456 Y457	R392-Q453 PolarHBondContact O-NE2 3.49Å; R392-Q453 VanDerWaalsContact O-NE2 3.09Å; R392-Q453 PolarHBondContact O-OE1 3.19Å; D438-Q453 PolarHBondContact OD1-NE2 2.92Å; D438-Q453 PolarHBondContact OD2-NE2 2.86Å; S439-Q453 WeakPolarHBondContact O-CG 3.5Å; P440-Q453 WeakPolarHBondContact O-CB 3.28Å; P440-Q453 PolarHBondContact O-N 2.81Å; I442-Q453 HydrophobicContact CG1-CG 4.16Å; Y451-Q453 PolarHBondContact O-N 3.22Å; Q453-M455 HydrophobicContact CB-CB 4.36Å; Q453-M455 HydrophobicContact CB-CE 3.85Å; Q453-M455 HydrophobicContact CG-CE 3.88Å; Q453-M455 PolarHBondContact O-N 3.43Å; Q453-M455 VanDerWaalsContact O-N 3.12Å; Q453-F456 WeakPolarHBondContact O-CB 3.23Å; Q453-F456 PolarHBondContact O-N 2.83Å; Q453-Y457 WeakPolarHBondContact O-CD2 3.46Å
454	P	98.8	Very high	98.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-51	-34.1	168.2	-29.9	38.3	0	0	0	113.6	W396 F456 Y457 H458	W396-P454 HydrophobicContact CE3-CB 3.92Å; W396-P454 HydrophobicContact CE3-CG 4.33Å; W396-P454 HydrophobicContact CZ3-CB 4.32Å; P454-F456 VanDerWaalsContact C-N 3.28Å; P454-F456 PolarHBondContact O-N 2.86Å; P454-Y457 PolarHBondContact O-N 3.32Å; P454-H458 PolarHBondContact O-CD2 2.9Å; P454-H458 VanDerWaalsContact O-CD2 3.24Å; P454-H458 PolarHBondContact O-N 3.35Å
455	M	98.8	Very high	98.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-53.5	-40.3	174.2	-63.2	178.2	-69.1	0	0	113.3	V382 R398 Y402 D438 S439 P440 Q453 Y457 H458 L459	V382-M455 HydrophobicContact CG2-SD 3.45Å; V382-M455 WeakPolarHBondContact CG2-SD 3.28Å; R398-M455 HydrophobicContact CB-CG 4Å; R398-M455 HydrophobicContact CB-SD 3.92Å; Y402-M455 HydrophobicContact CD1-CG 4.07Å; Y402-M455 HydrophobicContact CD1-SD 4.1Å; Y402-M455 HydrophobicContact CD2-CB 4.09Å; Y402-M455 HydrophobicContact CE1-CG 4.18Å; Y402-M455 HydrophobicContact CE1-SD 3.63Å; Y402-M455 HydrophobicContact CE2-CB 4.21Å; Y402-M455 HydrophobicContact CG-CB 4.28Å; Y402-M455 HydrophobicContact CG-CG 4.27Å; D438-M455 HydrophobicContact CB-CE 3.78Å; D438-M455 HydrophobicContact CB-SD 4.45Å; D438-M455 WeakPolarHBondContact OD1-CE 3.3Å; S439-M455 WeakPolarHBondContact O-CE 3.4Å; P440-M455 HydrophobicContact CB-CB 4.15Å; P440-M455 HydrophobicContact CG-CB 4.1Å; Q453-M455 HydrophobicContact CB-CB 4.36Å; Q453-M455 HydrophobicContact CB-CE 3.85Å; Q453-M455 HydrophobicContact CG-CE 3.88Å; Q453-M455 PolarHBondContact O-N 3.43Å; Q453-M455 VanDerWaalsContact O-N 3.12Å; M455-Y457 PolarHBondContact O-N 3.24Å; M455-H458 PolarHBondContact O-N 3.29Å; M455-L459 WeakPolarHBondContact O-CB 3.38Å; M455-L459 PolarHBondContact O-N 3.4Å
456	F	98.9	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.4	-46.7	178.5	173.3	-84.1	0	0	0	111.2	S146 Y147 I153 P440 I441 K452 Q453 P454 G460	S146-F456 VanDerWaalsContact O-CZ 3.27Å; S146-F456 WeakPolarHBondContact O-CZ 3.47Å; Y147-F456 HydrophobicContact CD1-CD2 4.09Å; Y147-F456 AromaticContact CD1-CE2 3.78Å; Y147-F456 HydrophobicContact CD1-CE2 3.78Å; Y147-F456 AromaticContact CE1-CD2 3.61Å; Y147-F456 HydrophobicContact CE1-CD2 3.61Å; Y147-F456 AromaticContact CE1-CE2 3.79Å; Y147-F456 HydrophobicContact CE1-CE2 3.79Å; Y147-F456 HydrophobicContact CG-CE2 4.45Å; I153-F456 HydrophobicContact CB-CZ 4.35Å; I153-F456 HydrophobicContact CD1-CD1 4.44Å; I153-F456 HydrophobicContact CD1-CD2 3.86Å; I153-F456 HydrophobicContact CD1-CE1 4.17Å; I153-F456 HydrophobicContact CD1-CE2 3.57Å; I153-F456 HydrophobicContact CD1-CG 4.28Å; I153-F456 HydrophobicContact CD1-CZ 3.73Å; I153-F456 HydrophobicContact CG1-CE2 3.96Å; I153-F456 HydrophobicContact CG1-CZ 3.84Å; I153-F456 HydrophobicContact CG2-CE1 3.64Å; I153-F456 HydrophobicContact CG2-CZ 3.64Å; P440-F456 HydrophobicContact CB-CB 3.94Å; I441-F456 HydrophobicContact CD1-CD2 4.08Å; I441-F456 HydrophobicContact CD1-CE2 4.18Å; I441-F456 HydrophobicContact CG1-CD2 4.09Å; K452-F456 HydrophobicContact CB-CB 4.46Å; K452-F456 HydrophobicContact CB-CD1 4.36Å; K452-F456 HydrophobicContact CB-CG 4.33Å; K452-F456 VanDerWaalsContact CE-CZ 3.45Å; K452-F456 HydrophobicContact CG-CG 4.41Å; Q453-F456 WeakPolarHBondContact O-CB 3.23Å; Q453-F456 PolarHBondContact O-N 2.83Å; P454-F456 VanDerWaalsContact C-N 3.28Å; P454-F456 PolarHBondContact O-N 2.86Å; F456-G460 PolarHBondContact O-N 3.16Å
457	Y	98.9	Very high	98.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-72.5	-42.3	-179.8	-59.1	-85.6	0	0	0	111.3	C55 D63 F65 R87 M88 K452 Q453 P454 M455 L459 G460 H461	C55-Y457 HydrophobicContact CB-CE2 4.42Å; C55-Y457 WeakPolarHBondContact CB-OH 3.47Å; C55-Y457 VanDerWaalsContact SG-CZ 3.6Å; C55-Y457 PolarHBondContact SG-OH 3.22Å; D63-Y457 PolarHBondContact OD1-OH 3Å; D63-Y457 WeakPolarHBondContact OD2-CE1 3.48Å; D63-Y457 PolarHBondContact OD2-OH 3.09Å; F65-Y457 HydrophobicContact CZ-CD1 4.22Å; F65-Y457 HydrophobicContact CZ-CE1 4.01Å; R87-Y457 HydrophobicContact CB-CD1 3.97Å; R87-Y457 HydrophobicContact CB-CE1 3.88Å; R87-Y457 HydrophobicContact CG-CD1 4.44Å; R87-Y457 HydrophobicContact CG-CE1 4.32Å; M88-Y457 HydrophobicContact CG-CD1 4.28Å; M88-Y457 HydrophobicContact SD-CD1 3.98Å; K452-Y457 HydrophobicContact CB-CE2 3.83Å; K452-Y457 VanDerWaalsContact CE-OH 3.25Å; K452-Y457 WeakPolarHBondContact CE-OH 3.35Å; Q453-Y457 WeakPolarHBondContact O-CD2 3.46Å; P454-Y457 PolarHBondContact O-N 3.32Å; M455-Y457 PolarHBondContact O-N 3.24Å; Y457-L459 VanDerWaalsContact C-N 3.3Å; Y457-L459 PolarHBondContact O-N 3.48Å; Y457-G460 CarbonylContact O-C 3.43Å; Y457-G460 WeakPolarHBondContact O-CA 3.25Å; Y457-G460 PolarHBondContact O-N 2.78Å; Y457-G460 VanDerWaalsContact O-N 3.11Å; Y457-H461 PolarHBondContact O-CD2 2.9Å; Y457-H461 PolarHBondContact O-N 3.19Å
458	H	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-38.6	176.4	-87.1	-101.5	0	0	0	112.6	W396 G399 S403 P454 M455 F462	W396-H458 AromaticContact CD2-NE2 3.84Å; W396-H458 AromaticContact CE2-NE2 3.46Å; W396-H458 AromaticContact CE3-NE2 3.93Å; W396-H458 AromaticContact CH2-NE2 3.28Å; W396-H458 VanDerWaalsContact CH2-NE2 3.28Å; W396-H458 WeakPolarHBondContact CH2-NE2 3.37Å; W396-H458 AromaticContact CZ2-CE1 3.81Å; W396-H458 AromaticContact CZ2-NE2 3.2Å; W396-H458 WeakPolarHBondContact CZ2-NE2 3.26Å; W396-H458 AromaticContact CZ3-NE2 3.66Å; G399-H458 VanDerWaalsContact C-ND1 3.3Å; G399-H458 VanDerWaalsContact O-CB 3.27Å; G399-H458 WeakPolarHBondContact O-CB 3.19Å; G399-H458 PolarHBondContact O-ND1 2.88Å; G399-H458 VanDerWaalsContact O-ND1 3.11Å; S403-H458 PolarHBondContact OG-ND1 3.11Å; P454-H458 PolarHBondContact O-CD2 2.9Å; P454-H458 VanDerWaalsContact O-CD2 3.24Å; P454-H458 PolarHBondContact O-N 3.35Å; M455-H458 PolarHBondContact O-N 3.29Å; H458-F462 WeakPolarHBondContact O-CD2 3.32Å; H458-F462 WeakPolarHBondContact O-CE2 3.22Å
459	L	98.8	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-73.8	-39.7	172.7	-161.3	168	0	0	0	110.9	F120 Y155 Y402 I406 W417 D419 M455 Y457 H461 F462 S463	F120-L459 HydrophobicContact CB-CD2 4.3Å; Y155-L459 HydrophobicContact CE1-CD2 3.57Å; Y155-L459 VanDerWaalsContact OH-CD1 3.29Å; Y155-L459 WeakPolarHBondContact OH-CD1 3.06Å; Y402-L459 HydrophobicContact CD2-CB 4.42Å; Y402-L459 HydrophobicContact CD2-CD1 4.05Å; Y402-L459 HydrophobicContact CE2-CD1 4.21Å; I406-L459 HydrophobicContact CD1-CB 4.43Å; I406-L459 HydrophobicContact CD1-CG 4.02Å; W417-L459 HydrophobicContact CE3-CD1 4.12Å; W417-L459 HydrophobicContact CZ3-CD1 3.66Å; W417-L459 HydrophobicContact CZ3-CG 4.44Å; D419-L459 HydrophobicContact CB-CD1 3.99Å; M455-L459 WeakPolarHBondContact O-CB 3.38Å; M455-L459 PolarHBondContact O-N 3.4Å; Y457-L459 VanDerWaalsContact C-N 3.3Å; Y457-L459 PolarHBondContact O-N 3.48Å; L459-H461 VanDerWaalsContact C-N 3.26Å; L459-H461 PolarHBondContact O-N 2.8Å; L459-F462 WeakPolarHBondContact O-CA 3.34Å; L459-F462 WeakPolarHBondContact O-CB 3.4Å; L459-F462 PolarHBondContact O-N 3.23Å; L459-S463 PolarHBondContact O-N 3.17Å
460	G	98.7	Very high	98.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58	-30.6	175.7	0	0	0	0	0	115.1	F456 Y457 F462 K464	F456-G460 PolarHBondContact O-N 3.16Å; Y457-G460 CarbonylContact O-C 3.43Å; Y457-G460 WeakPolarHBondContact O-CA 3.25Å; Y457-G460 PolarHBondContact O-N 2.78Å; Y457-G460 VanDerWaalsContact O-N 3.11Å; G460-F462 PolarHBondContact O-N 2.94Å; G460-F462 VanDerWaalsContact O-N 3.14Å; G460-K464 WeakPolarHBondContact O-CB 3.43Å; G460-K464 PolarHBondContact O-N 2.92Å; G460-K464 VanDerWaalsContact O-N 3.07Å
461	H	98.8	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61	-15.2	170.6	-89.5	-84.2	0	0	0	114.1	Y79 S81 M88 Y457 L459 V498 I528 T530	Y79-H461 PolarHBondContact O-CE1 2.77Å; S81-H461 WeakPolarHBondContact CB-NE2 3.13Å; S81-H461 PolarHBondContact N-NE2 2.87Å; S81-H461 PolarHBondContact OG-NE2 2.84Å; M88-H461 WeakPolarHBondContact CG-NE2 3.14Å; Y457-H461 PolarHBondContact O-CD2 2.9Å; Y457-H461 PolarHBondContact O-N 3.19Å; L459-H461 VanDerWaalsContact C-N 3.26Å; L459-H461 PolarHBondContact O-N 2.8Å; H461-V498 WeakPolarHBondContact O-CG2 3.49Å; H461-I528 HydrophobicContact CB-CD1 3.68Å; H461-I528 HydrophobicContact CB-CG1 4.07Å; H461-I528 PolarHBondContact CE1-O 3.45Å; H461-I528 PolarHBondContact NE2-O 3.48Å; H461-T530 WeakPolarHBondContact CB-OG1 3.32Å; H461-T530 PolarHBondContact ND1-N 2.78Å; H461-T530 PolarHBondContact ND1-OG1 2.57Å; H461-T530 PolarHBondContact O-OG1 3.22Å
462	F	98.9	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-106.6	-57.6	170.8	-54	-89.6	0	0	0	110.8	F120 I406 I407 L410 H458 L459 G460 K464 F465 I466 V486 V498 I528	F120-F462 HydrophobicContact CD1-CB 4.35Å; F120-F462 HydrophobicContact CE1-CB 3.9Å; F120-F462 HydrophobicContact CE2-CB 4.38Å; F120-F462 HydrophobicContact CZ-CB 3.92Å; I406-F462 HydrophobicContact CB-CD1 4.43Å; I406-F462 HydrophobicContact CB-CD2 4.21Å; I406-F462 HydrophobicContact CB-CE1 4.3Å; I406-F462 HydrophobicContact CB-CE2 4.09Å; I406-F462 HydrophobicContact CB-CG 4.39Å; I406-F462 HydrophobicContact CB-CZ 4.14Å; I406-F462 HydrophobicContact CD1-CD2 3.7Å; I406-F462 HydrophobicContact CD1-CE2 4.01Å; I406-F462 HydrophobicContact CD1-CG 4.35Å; I406-F462 HydrophobicContact CG2-CB 4.2Å; I406-F462 HydrophobicContact CG2-CD1 3.47Å; I406-F462 VanDerWaalsContact CG2-CD1 3.47Å; I406-F462 HydrophobicContact CG2-CD2 3.87Å; I406-F462 HydrophobicContact CG2-CE1 3.72Å; I406-F462 HydrophobicContact CG2-CE2 4.11Å; I406-F462 HydrophobicContact CG2-CG 3.56Å; I406-F462 HydrophobicContact CG2-CZ 4.04Å; I407-F462 HydrophobicContact CD1-CE1 4.38Å; I407-F462 HydrophobicContact CD1-CZ 4Å; I407-F462 HydrophobicContact CG1-CE1 3.67Å; I407-F462 HydrophobicContact CG1-CZ 3.64Å; L410-F462 HydrophobicContact CD1-CD1 4.21Å; H458-F462 WeakPolarHBondContact O-CD2 3.32Å; H458-F462 WeakPolarHBondContact O-CE2 3.22Å; L459-F462 WeakPolarHBondContact O-CA 3.34Å; L459-F462 WeakPolarHBondContact O-CB 3.4Å; L459-F462 PolarHBondContact O-N 3.23Å; G460-F462 PolarHBondContact O-N 2.94Å; G460-F462 VanDerWaalsContact O-N 3.14Å; F462-K464 VanDerWaalsContact C-N 3.35Å; F462-K464 PolarHBondContact O-N 2.97Å; F462-F465 CarbonylContact O-C 3.52Å; F462-F465 PolarHBondContact O-N 2.92Å; F462-F465 VanDerWaalsContact O-N 3.09Å; F462-I466 HydrophobicContact CB-CD1 4.03Å; F462-I466 HydrophobicContact CD1-CD1 3.95Å; F462-I466 HydrophobicContact CG-CD1 4.48Å; F462-I466 WeakPolarHBondContact O-CB 3.27Å; F462-I466 WeakPolarHBondContact O-CG1 3.24Å; F462-I466 PolarHBondContact O-N 2.89Å; F462-V486 HydrophobicContact CE1-CG1 4.29Å; F462-V498 HydrophobicContact CD1-CB 4.38Å; F462-V498 HydrophobicContact CD1-CG1 4.38Å; F462-V498 HydrophobicContact CD1-CG2 3.91Å; F462-V498 HydrophobicContact CE1-CB 3.83Å; F462-V498 HydrophobicContact CE1-CG1 3.66Å; F462-V498 HydrophobicContact CE1-CG2 3.89Å; F462-V498 HydrophobicContact CE2-CG1 4.37Å; F462-V498 HydrophobicContact CZ-CB 4.33Å; F462-V498 HydrophobicContact CZ-CG1 3.65Å; F462-I528 HydrophobicContact CE2-CD1 4.02Å; F462-I528 HydrophobicContact CZ-CD1 4.3Å
463	S	98.7	Very high	98.7	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.007	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-39.6	-171.2	67.6	0	0	0	0	113	I153 R209 L459 F465	I153-S463 CarbonylContact O-C 3.5Å; I153-S463 VanDerWaalsContact O-CB 3.32Å; I153-S463 WeakPolarHBondContact O-CB 3.33Å; I153-S463 PolarHBondContact O-OG 2.84Å; R209-S463 PolarHBondContact NH1-O 2.84Å; L459-S463 PolarHBondContact O-N 3.17Å; S463-F465 VanDerWaalsContact C-N 3.27Å; S463-F465 PolarHBondContact O-N 2.82Å
464	K	98.3	Very high	98.7	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.009	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32	-179.9	-167.4	177.2	174.5	68.2	0	112	F65 D66 P68 M88 E150 G152 I153 R209 G460 F462	F65-K464 HydrophobicContact CD2-CD 4.18Å; F65-K464 HydrophobicContact CG-CD 4.5Å; D66-K464 PolarHBondContact O-NZ 3.05Å; P68-K464 HydrophobicContact CG-CG 4.07Å; M88-K464 HydrophobicContact CE-CB 4.13Å; M88-K464 HydrophobicContact CE-CD 3.55Å; M88-K464 HydrophobicContact CE-CG 4.48Å; E150-K464 PolarHBondContact O-NZ 3.2Å; G152-K464 WeakPolarHBondContact O-CD 3.45Å; G152-K464 PolarHBondContact O-NZ 3.36Å; I153-K464 HydrophobicContact CB-CB 4.4Å; I153-K464 WeakPolarHBondContact O-CA 3.4Å; I153-K464 PolarHBondContact O-N 3.25Å; R209-K464 PolarHBondContact NH2-O 3.3Å; G460-K464 WeakPolarHBondContact O-CB 3.43Å; G460-K464 PolarHBondContact O-N 2.92Å; G460-K464 VanDerWaalsContact O-N 3.07Å; F462-K464 VanDerWaalsContact C-N 3.35Å; F462-K464 PolarHBondContact O-N 2.97Å
465	F	98.5	Very high	98.7	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	3.3	-164	-55.5	-54.7	0	0	0	114.9	P68 Y79 M88 F462 S463 H490 V496 T530 L532	P68-F465 HydrophobicContact CB-CD1 4.24Å; P68-F465 HydrophobicContact CB-CE1 4.3Å; P68-F465 HydrophobicContact CG-CD1 4.24Å; P68-F465 HydrophobicContact CG-CE1 4.26Å; Y79-F465 HydrophobicContact CD1-CE1 4.28Å; Y79-F465 HydrophobicContact CD1-CE2 4.41Å; Y79-F465 AromaticContact CD1-CZ 3.55Å; Y79-F465 HydrophobicContact CD1-CZ 3.55Å; Y79-F465 HydrophobicContact CD2-CD1 4.48Å; Y79-F465 AromaticContact CD2-CE1 3.62Å; Y79-F465 HydrophobicContact CD2-CE1 3.62Å; Y79-F465 AromaticContact CD2-CE2 4Å; Y79-F465 HydrophobicContact CD2-CE2 4Å; Y79-F465 AromaticContact CD2-CZ 3.33Å; Y79-F465 HydrophobicContact CD2-CZ 3.33Å; Y79-F465 HydrophobicContact CE1-CE1 4.08Å; Y79-F465 AromaticContact CE1-CZ 3.77Å; Y79-F465 HydrophobicContact CE1-CZ 3.77Å; Y79-F465 HydrophobicContact CE2-CD1 4.31Å; Y79-F465 AromaticContact CE2-CE1 3.4Å; Y79-F465 HydrophobicContact CE2-CE1 3.4Å; Y79-F465 AromaticContact CE2-CZ 3.58Å; Y79-F465 HydrophobicContact CE2-CZ 3.58Å; Y79-F465 HydrophobicContact CG-CE1 4.06Å; Y79-F465 AromaticContact CG-CE2 3.88Å; Y79-F465 HydrophobicContact CG-CE2 3.88Å; Y79-F465 AromaticContact CG-CZ 3.31Å; Y79-F465 HydrophobicContact CG-CZ 3.31Å; Y79-F465 AromaticContact CZ-CE1 3.63Å; Y79-F465 AromaticContact CZ-CZ 3.78Å; M88-F465 HydrophobicContact CE-CE2 3.62Å; M88-F465 HydrophobicContact CE-CZ 3.81Å; F462-F465 CarbonylContact O-C 3.52Å; F462-F465 PolarHBondContact O-N 2.92Å; F462-F465 VanDerWaalsContact O-N 3.09Å; S463-F465 VanDerWaalsContact C-N 3.27Å; S463-F465 PolarHBondContact O-N 2.82Å; F465-H490 PolarHBondContact O-CE1 3.37Å; F465-H490 VanDerWaalsContact O-CE1 3.27Å; F465-H490 PolarHBondContact O-NE2 3.3Å; F465-V496 HydrophobicContact CB-CG2 4.21Å; F465-T530 HydrophobicContact CB-CG2 3.8Å; F465-T530 HydrophobicContact CD2-CG2 3.56Å; F465-T530 HydrophobicContact CE2-CG2 4.34Å; F465-T530 HydrophobicContact CG-CG2 3.85Å; F465-L532 HydrophobicContact CB-CD2 4.4Å; F465-L532 HydrophobicContact CD1-CD1 3.81Å; F465-L532 HydrophobicContact CE1-CD1 4.27Å; F465-L532 HydrophobicContact CG-CD1 4.5Å
466	I	98.6	Very high	98.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.092	C	C	.	.			trans	-130.7	83.7	177.6	-55.4	172.5	0	0	0	107.6	V117 F120 L410 F462 L488 V496	V117-I466 HydrophobicContact CB-CG2 4.16Å; V117-I466 HydrophobicContact CG1-CG2 3.96Å; V117-I466 HydrophobicContact CG2-CG2 4.01Å; F120-I466 HydrophobicContact CE2-CB 3.85Å; F120-I466 HydrophobicContact CE2-CD1 4.48Å; F120-I466 HydrophobicContact CE2-CG2 3.97Å; F120-I466 HydrophobicContact CZ-CB 4.48Å; F120-I466 HydrophobicContact CZ-CD1 4.31Å; F120-I466 HydrophobicContact CZ-CG2 4.49Å; L410-I466 HydrophobicContact CD1-CD1 4.49Å; F462-I466 HydrophobicContact CB-CD1 4.03Å; F462-I466 HydrophobicContact CD1-CD1 3.95Å; F462-I466 HydrophobicContact CG-CD1 4.48Å; F462-I466 WeakPolarHBondContact O-CB 3.27Å; F462-I466 WeakPolarHBondContact O-CG1 3.24Å; F462-I466 PolarHBondContact O-N 2.89Å; I466-L488 HydrophobicContact CD1-CD1 3.69Å; I466-L488 HydrophobicContact CD1-CD2 4.37Å; I466-L488 HydrophobicContact CG1-CD1 4.29Å; I466-L488 HydrophobicContact CG2-CD2 3.85Å; I466-V496 HydrophobicContact CG1-CG1 4.16Å; I466-V496 HydrophobicContact CG1-CG2 4.43Å
467	P	98.1	Very high	98.7	Very high	33 Å²	33	17.8 Å²	17.8	21%	0.214	11%	0.107	C	C	.	.			trans	-67.9	161.7	177.5	28.9	-35.1	0	0	0	111.8	G469 S470 H490	P467-G469 PolarHBondContact O-N 3.31Å; P467-S470 VanDerWaalsContact CD-OG 3.32Å; P467-S470 WeakPolarHBondContact CD-OG 3.2Å; P467-S470 VanDerWaalsContact O-CB 3.28Å; P467-S470 WeakPolarHBondContact O-CB 3.46Å; P467-S470 PolarHBondContact O-N 3.44Å; P467-S470 VanDerWaalsContact O-N 3.15Å; P467-S470 PolarHBondContact O-OG 2.98Å; P467-H490 WeakPolarHBondContact CD-CE1 3.35Å; P467-H490 WeakPolarHBondContact CG-ND1 3.47Å
468	E	98.8	Very high	98.6	Very high	82 Å²	82	21.2 Å²	21.2	38%	0.383	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.9	173.6	-178.8	165.5	176.1	0	0	111.2	K118 N156 S470	K118-E468 WeakPolarHBondContact CD-OE1 3.28Å; K118-E468 IonicContact NZ-OE1 3.94Å; K118-E468 PolarHBondContact NZ-OE1 2.82Å; K118-E468 IonicContact NZ-OE2 3.69Å; K118-E468 PolarHBondContact NZ-OE2 3.37Å; K118-E468 WeakPolarHBondContact O-CB 3.43Å; K118-E468 WeakPolarHBondContact O-CG 3.25Å; N156-E468 PolarHBondContact ND2-OE2 3.31Å; E468-S470 VanDerWaalsContact C-N 3.31Å; E468-S470 PolarHBondContact O-N 2.93Å
469	G	98.7	Very high	98.6	Very high	28 Å²	28	26 Å²	26	29%	0.289	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-13.7	-176.2	0	0	0	0	0	114.8	V117 P467 Q471	V117-G469 PolarHBondContact O-N 2.75Å; P467-G469 PolarHBondContact O-N 3.31Å; G469-Q471 PolarHBondContact O-N 3.11Å
470	S	98.8	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.			trans	-54.4	136.6	173.3	-60.2	0	0	0	0	111	K116 V117 P467 E468 M489	K116-S470 CarbonylContact C-O 3.46Å; K116-S470 WeakPolarHBondContact CA-O 3.43Å; V117-S470 PolarHBondContact N-O 2.97Å; P467-S470 VanDerWaalsContact CD-OG 3.32Å; P467-S470 WeakPolarHBondContact CD-OG 3.2Å; P467-S470 VanDerWaalsContact O-CB 3.28Å; P467-S470 WeakPolarHBondContact O-CB 3.46Å; P467-S470 PolarHBondContact O-N 3.44Å; P467-S470 VanDerWaalsContact O-N 3.15Å; P467-S470 PolarHBondContact O-OG 2.98Å; E468-S470 VanDerWaalsContact C-N 3.31Å; E468-S470 PolarHBondContact O-N 2.93Å; S470-M489 CarbonylContact C-O 3.57Å; S470-M489 WeakPolarHBondContact CA-O 3.41Å; S470-M489 WeakPolarHBondContact CB-O 3.45Å
471	Q	98.9	Very high	98.4	Very high	43 Å²	43	37.7 Å²	37.7	20%	0.201	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.5	-177.2	-166.4	169.8	27.4	0	0	111.1	F114 K116 G469 L488 M489	F114-Q471 WeakPolarHBondContact O-CG 3.33Å; F114-Q471 PolarHBondContact O-NE2 2.78Å; K116-Q471 HydrophobicContact CG-CB 4.23Å; K116-Q471 HydrophobicContact CG-CG 4.15Å; G469-Q471 PolarHBondContact O-N 3.11Å; Q471-L488 CarbonylContact O-C 3.52Å; Q471-L488 VanDerWaalsContact O-CA 3.29Å; Q471-L488 WeakPolarHBondContact O-CA 3.5Å; Q471-M489 PolarHBondContact N-O 3.29Å; Q471-M489 PolarHBondContact O-N 3Å
472	R	98.9	Very high	98.3	Very high	19 Å²	19	42.9 Å²	42.9	7%	0.072	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.3	173.3	-168	-160.3	92.3	-176.8	9.2	109.9	F114 Q115 L410 L411 V486 A487 L488	F114-R472 HydrophobicContact CB-CB 4.24Å; F114-R472 VanDerWaalsContact CE2-NH2 3.34Å; F114-R472 VanDerWaalsContact CG-CZ 3.45Å; F114-R472 PolarHBondContact N-O 2.75Å; Q115-R472 PolarHBondContact O-N 2.9Å; L410-R472 WeakPolarHBondContact O-CD 3.23Å; L410-R472 PolarHBondContact O-NH1 3.23Å; L411-R472 VanDerWaalsContact CA-NH1 3.33Å; L411-R472 PolarHBondContact O-NH1 2.91Å; R472-V486 HydrophobicContact CG-CG2 4.09Å; R472-A487 WeakPolarHBondContact CG-O 3.41Å; R472-L488 HydrophobicContact CB-CD2 4.28Å; R472-L488 HydrophobicContact CB-CG 4.31Å; R472-L488 HydrophobicContact CG-CG 4.45Å
473	V	98.9	Very high	98.3	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	172.1	176.7	-62.4	0	0	0	0	111.3	L108 Q112 K113 A487 M489	L108-V473 HydrophobicContact CD1-CG2 3.55Å; L108-V473 HydrophobicContact CG-CG2 4.28Å; Q112-V473 CarbonylContact O-C 3.51Å; Q112-V473 VanDerWaalsContact O-CA 3.23Å; Q112-V473 WeakPolarHBondContact O-CA 3.44Å; K113-V473 HydrophobicContact CD-CG1 3.86Å; V473-A487 HydrophobicContact CG2-CB 3.98Å; V473-A487 PolarHBondContact N-O 2.85Å; V473-M489 HydrophobicContact CG1-CB 4.48Å; V473-M489 HydrophobicContact CG1-CG 3.94Å; V473-M489 HydrophobicContact CG1-SD 4.03Å; V473-M489 HydrophobicContact CG2-CG 4.35Å
474	G	98.7	Very high	98.3	Very high	5 Å²	5	44.9 Å²	44.9	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	145.4	178.1	0	0	0	0	0	112.1	Q109 Q112	Q109-G474 PolarHBondContact N-O 2.81Å; Q109-G474 PolarHBondContact O-N 3.45Å; Q112-G474 PolarHBondContact O-N 3.39Å; Q112-G474 VanDerWaalsContact O-N 3.15Å
475	L	98.8	Very high	98.3	Very high	42 Å²	42	45.7 Å²	45.7	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	110.4	172.6	-173.4	70.2	0	0	0	108	L106 T107 L108 A485 A487 V497	L106-L475 HydrophobicContact CB-CD1 3.96Å; L106-L475 HydrophobicContact CB-CG 4.25Å; L106-L475 HydrophobicContact CD1-CD2 4.36Å; T107-L475 WeakPolarHBondContact O-CA 3.46Å; L108-L475 HydrophobicContact CD1-CD1 4.35Å; L475-A485 HydrophobicContact CD2-CB 3.86Å; L475-A487 HydrophobicContact CB-CB 3.89Å; L475-A487 HydrophobicContact CD1-CB 4.18Å; L475-A487 HydrophobicContact CD2-CB 4.17Å; L475-A487 HydrophobicContact CG-CB 4.3Å; L475-V497 HydrophobicContact CD2-CG1 4.07Å
476	V	98.5	Very high	98.3	Very high	74 Å²	74	45.7 Å²	45.7	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.8	-174	176.4	0	0	0	0	110.4	L106 T107	L106-V476 CarbonylContact C-O 3.51Å; L106-V476 WeakPolarHBondContact CA-O 3.43Å; T107-V476 PolarHBondContact N-O 3.18Å; T107-V476 PolarHBondContact O-N 3.08Å
477	A	98.5	Very high	98.3	Very high	39 Å²	39	45.7 Å²	45.7	32%	0.322	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.8	172.5	0	0	0	0	0	111.3	L104 L105 L106 Q479	L104-A477 HydrophobicContact CD1-CB 4.08Å; L105-A477 CarbonylContact O-C 3.59Å; L105-A477 WeakPolarHBondContact O-CA 3.15Å; L106-A477 HydrophobicContact CD2-CB 3.69Å; A477-Q479 PolarHBondContact O-N 2.95Å
478	S	97.9	Very high	98.4	Very high	72 Å²	72	44.1 Å²	44.1	50%	0.503	24%	0.242	S	C	.	.	S	Bend	trans	-63.7	-24.2	174.2	57	0	0	0	0	113.8	L105	L105-S478 PolarHBondContact N-OG 3.01Å; L105-S478 PolarHBondContact O-N 3.46Å
479	Q	97	Very high	98.4	Very high	100 Å²	100	41.2 Å²	41.2	47%	0.467	23%	0.229	S	C	.	.	S	Bend	trans	-153.6	161.5	-174.7	62.5	-170.5	60.9	0	0	111.9	L104 A477 N481	L104-Q479 HydrophobicContact CD1-CG 3.84Å; A477-Q479 PolarHBondContact O-N 2.95Å; Q479-N481 PolarHBondContact O-N 3.5Å; Q479-N481 PolarHBondContact O-ND2 3.41Å
480	K	96.7	Very high	98.4	Very high	196 Å²	196	41 Å²	41	85%	0.852	22%	0.22	S	C	*	.			trans	-57.8	135.6	170.3	-176.1	-179.3	176.8	-175.7	0	110
481	N	97.5	Very high	98.3	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	25%	0.249	S	C	.	.			trans	-153.1	170.7	-179.3	66.8	91.8	0	0	0	110	L104 Q479 L483	L104-N481 HydrophobicContact CD1-CB 4.06Å; L104-N481 HydrophobicContact CD2-CB 3.72Å; Q479-N481 PolarHBondContact O-N 3.5Å; Q479-N481 PolarHBondContact O-ND2 3.41Å; N481-L483 WeakPolarHBondContact OD1-CB 3.2Å; N481-L483 PolarHBondContact OD1-N 3.22Å
482	D	97.2	Very high	98.2	Very high	109 Å²	109	47.8 Å²	47.8	58%	0.583	26%	0.263	S	S	*	.	S	Bend	trans	-103	13.1	-176.7	-58.4	-38.5	0	0	0	113.2
483	L	98.4	Very high	98.1	Very high	16 Å²	16	48 Å²	48	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.6	178.6	-53.5	-177.4	0	0	0	110.7	L104 N481 V499 N501 V507 L509	L104-L483 HydrophobicContact CD2-CD1 3.68Å; L104-L483 HydrophobicContact CD2-CG 4.35Å; N481-L483 WeakPolarHBondContact OD1-CB 3.2Å; N481-L483 PolarHBondContact OD1-N 3.22Å; L483-V499 HydrophobicContact CB-CG1 4.38Å; L483-V499 HydrophobicContact CD1-CG1 3.87Å; L483-N501 HydrophobicContact CD2-CB 3.53Å; L483-V507 HydrophobicContact CD1-CB 4.32Å; L483-V507 HydrophobicContact CD1-CG1 4Å; L483-V507 HydrophobicContact CD2-CB 4.26Å; L483-V507 HydrophobicContact CD2-CG2 4.04Å; L483-V507 HydrophobicContact CG-CG1 4.43Å; L483-L509 HydrophobicContact CD1-CD1 4.21Å
484	D	98.7	Very high	98.1	Very high	27 Å²	27	48.1 Å²	48.1	14%	0.144	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.4	163.3	-51.1	-65.4	0	0	0	107.8	H404 I407 L500 R502	H404-D484 IonicContact CE1-OD1 3.45Å; H404-D484 PolarHBondContact CE1-OD1 3.15Å; H404-D484 IonicContact CE1-OD2 3.87Å; H404-D484 IonicContact CG-OD2 3.91Å; H404-D484 IonicContact ND1-OD1 3.97Å; H404-D484 PolarHBondContact ND1-OD1 3.28Å; H404-D484 IonicContact ND1-OD2 2.94Å; H404-D484 PolarHBondContact ND1-OD2 3.23Å; I407-D484 HydrophobicContact CB-CB 4.44Å; I407-D484 HydrophobicContact CD1-CB 3.8Å; I407-D484 HydrophobicContact CG2-CB 4Å; D484-L500 HydrophobicContact CB-CB 4.31Å; D484-L500 HydrophobicContact CB-CD2 4.36Å; D484-L500 PolarHBondContact N-O 3.33Å; D484-L500 PolarHBondContact O-N 2.82Å; D484-R502 IonicContact OD1-NH2 2.97Å; D484-R502 PolarHBondContact OD1-NH2 3.38Å; D484-R502 VanDerWaalsContact OD1-NH2 3.15Å; D484-R502 IonicContact OD2-CZ 2.69Å; D484-R502 VanDerWaalsContact OD2-CZ 3.26Å; D484-R502 IonicContact OD2-NE 3.51Å; D484-R502 PolarHBondContact OD2-NE 2.85Å; D484-R502 IonicContact OD2-NH2 3.77Å; D484-R502 PolarHBondContact OD2-NH2 3.14Å
485	A	98.8	Very high	98.1	Very high	20 Å²	20	47.9 Å²	47.9	17%	0.165	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	147.9	-178.5	0	0	0	0	0	112.5	L106 L475 V498 V499	L106-A485 HydrophobicContact CD1-CB 4.14Å; L475-A485 HydrophobicContact CD2-CB 3.86Å; A485-V498 VanDerWaalsContact CA-O 3.28Å; A485-V498 WeakPolarHBondContact CA-O 3.47Å; A485-V499 HydrophobicContact CB-CG2 4.34Å
486	V	98.9	Very high	98.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.7	175.3	65.8	0	0	0	0	110.7	I407 L410 L411 F462 R472 L488 V497 V498	I407-V486 HydrophobicContact CG1-CG1 4.05Å; I407-V486 HydrophobicContact CG2-CB 4.34Å; L410-V486 HydrophobicContact CB-CG2 4.05Å; L410-V486 HydrophobicContact CD1-CG1 4.14Å; L410-V486 HydrophobicContact CD1-CG2 4.45Å; L411-V486 HydrophobicContact CD2-CG2 4.3Å; F462-V486 HydrophobicContact CE1-CG1 4.29Å; R472-V486 HydrophobicContact CG-CG2 4.09Å; V486-L488 HydrophobicContact CG1-CD1 4.2Å; V486-L488 HydrophobicContact CG2-CD1 4.13Å; V486-V497 WeakPolarHBondContact O-CA 3.45Å; V486-V498 HydrophobicContact CG1-CB 4.23Å; V486-V498 PolarHBondContact N-O 3.17Å; V486-V498 PolarHBondContact O-N 3.24Å
487	A	98.9	Very high	98.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.8	176.8	0	0	0	0	0	112	L108 R472 V473 L475 V496 V497	L108-A487 HydrophobicContact CD1-CB 3.31Å; R472-A487 WeakPolarHBondContact CG-O 3.41Å; V473-A487 HydrophobicContact CG2-CB 3.98Å; V473-A487 PolarHBondContact N-O 2.85Å; L475-A487 HydrophobicContact CB-CB 3.89Å; L475-A487 HydrophobicContact CD1-CB 4.18Å; L475-A487 HydrophobicContact CD2-CB 4.17Å; L475-A487 HydrophobicContact CG-CB 4.3Å; A487-V496 WeakPolarHBondContact CA-O 3.36Å; A487-V497 HydrophobicContact CB-CG2 3.77Å
488	L	98.9	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.1	175.7	-48	89.9	0	0	0	109.9	V117 I466 Q471 R472 V486 V496	V117-L488 HydrophobicContact CG2-CD2 3.58Å; I466-L488 HydrophobicContact CD1-CD1 3.69Å; I466-L488 HydrophobicContact CD1-CD2 4.37Å; I466-L488 HydrophobicContact CG1-CD1 4.29Å; I466-L488 HydrophobicContact CG2-CD2 3.85Å; Q471-L488 CarbonylContact O-C 3.52Å; Q471-L488 VanDerWaalsContact O-CA 3.29Å; Q471-L488 WeakPolarHBondContact O-CA 3.5Å; R472-L488 HydrophobicContact CB-CD2 4.28Å; R472-L488 HydrophobicContact CB-CG 4.31Å; R472-L488 HydrophobicContact CG-CG 4.45Å; V486-L488 HydrophobicContact CG1-CD1 4.2Å; V486-L488 HydrophobicContact CG2-CD1 4.13Å; L488-V496 HydrophobicContact CB-CG1 3.79Å; L488-V496 HydrophobicContact CD1-CG1 4.22Å; L488-V496 PolarHBondContact N-O 3.08Å; L488-V496 WeakPolarHBondContact O-CG1 3.4Å; L488-V496 PolarHBondContact O-N 2.88Å
489	M	98.7	Very high	98.1	Very high	21 Å²	21	37 Å²	37	10%	0.103	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.9	166.9	-68.7	-179.7	63.6	0	0	109.6	P110 K113 S470 Q471 V473 G493 S494	P110-M489 HydrophobicContact CB-SD 3.75Å; K113-M489 PolarHBondContact NZ-SD 2.85Å; S470-M489 CarbonylContact C-O 3.57Å; S470-M489 WeakPolarHBondContact CA-O 3.41Å; S470-M489 WeakPolarHBondContact CB-O 3.45Å; Q471-M489 PolarHBondContact N-O 3.29Å; Q471-M489 PolarHBondContact O-N 3Å; V473-M489 HydrophobicContact CG1-CB 4.48Å; V473-M489 HydrophobicContact CG1-CG 3.94Å; V473-M489 HydrophobicContact CG1-SD 4.03Å; V473-M489 HydrophobicContact CG2-CG 4.35Å; M489-G493 WeakPolarHBondContact CE-O 3.29Å; M489-S494 CarbonylContact C-O 3.56Å; M489-S494 VanDerWaalsContact CA-O 3.27Å; M489-S494 WeakPolarHBondContact CA-O 3.35Å
490	H	98.3	Very high	98.2	Very high	22 Å²	22	32.3 Å²	32.3	10%	0.102	18%	0.176	C	C	.	.			trans	-71.7	164.8	172.6	-77.7	-139.7	0	0	0	110.8	F70 F465 P467 D492 G493 S494	F70-H490 AromaticContact CZ-CE1 3.7Å; F70-H490 AromaticContact CZ-ND1 3.66Å; F465-H490 PolarHBondContact O-CE1 3.37Å; F465-H490 VanDerWaalsContact O-CE1 3.27Å; F465-H490 PolarHBondContact O-NE2 3.3Å; P467-H490 WeakPolarHBondContact CD-CE1 3.35Å; P467-H490 WeakPolarHBondContact CG-ND1 3.47Å; H490-D492 VanDerWaalsContact CB-OD1 3.23Å; H490-D492 WeakPolarHBondContact CB-OD1 3.43Å; H490-D492 PolarHBondContact O-N 3.42Å; H490-G493 PolarHBondContact O-N 3.45Å; H490-S494 WeakPolarHBondContact CB-OG 3.32Å; H490-S494 PolarHBondContact N-O 3.48Å
491	P	97.9	Very high	98.3	Very high	93 Å²	93	23 Å²	23	60%	0.604	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.9	174	-26.5	35.9	0	0	0	114.8	G493	P491-G493 VanDerWaalsContact C-N 3.3Å
492	D	96.7	Very high	98.4	Very high	94 Å²	94	25.3 Å²	25.3	50%	0.503	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.8	177.4	74.9	-13.7	0	0	0	114.1	H490 S494	H490-D492 VanDerWaalsContact CB-OD1 3.23Å; H490-D492 WeakPolarHBondContact CB-OD1 3.43Å; H490-D492 PolarHBondContact O-N 3.42Å; D492-S494 VanDerWaalsContact OD1-CB 3.26Å; D492-S494 WeakPolarHBondContact OD1-CB 3.26Å; D492-S494 PolarHBondContact OD1-N 2.84Å; D492-S494 PolarHBondContact OD1-OG 2.94Å
493	G	97.3	Very high	98.4	Very high	23 Å²	23	21.3 Å²	21.3	24%	0.237	12%	0.121	C	C	.	.	S	Bend	trans	85.7	2.1	-178.7	0	0	0	0	0	115.4	M489 H490 P491 R535	M489-G493 WeakPolarHBondContact CE-O 3.29Å; H490-G493 PolarHBondContact O-N 3.45Å; P491-G493 VanDerWaalsContact C-N 3.3Å; G493-R535 WeakPolarHBondContact O-CD 3.44Å; G493-R535 WeakPolarHBondContact O-CG 3.34Å
494	S	97.7	Very high	98.4	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.035	14%	0.144	C	C	.	.			trans	-69.6	163	167.9	66.7	0	0	0	0	111.8	F70 M489 H490 D492	F70-S494 VanDerWaalsContact CE1-CB 3.44Å; F70-S494 WeakPolarHBondContact CE1-OG 3.49Å; F70-S494 WeakPolarHBondContact CZ-OG 3.36Å; M489-S494 CarbonylContact C-O 3.56Å; M489-S494 VanDerWaalsContact CA-O 3.27Å; M489-S494 WeakPolarHBondContact CA-O 3.35Å; H490-S494 WeakPolarHBondContact CB-OG 3.32Å; H490-S494 PolarHBondContact N-O 3.48Å; D492-S494 VanDerWaalsContact OD1-CB 3.26Å; D492-S494 WeakPolarHBondContact OD1-CB 3.26Å; D492-S494 PolarHBondContact OD1-N 2.84Å; D492-S494 PolarHBondContact OD1-OG 2.94Å
495	A	98.4	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.5	-176.4	0	0	0	0	0	112.5	L532 W533 R535	A495-L532 WeakPolarHBondContact O-CA 3.25Å; A495-W533 HydrophobicContact CB-CD2 3.78Å; A495-W533 HydrophobicContact CB-CE3 4.22Å; A495-W533 HydrophobicContact CB-CG 4.35Å; A495-W533 HydrophobicContact CB-CH2 3.98Å; A495-W533 HydrophobicContact CB-CZ2 3.48Å; A495-W533 VanDerWaalsContact CB-CZ2 3.48Å; A495-W533 HydrophobicContact CB-CZ3 4.31Å; A495-W533 PolarHBondContact N-O 3.07Å; A495-W533 PolarHBondContact O-N 2.89Å; A495-R535 HydrophobicContact CB-CG 4.12Å
496	V	98.6	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.6	169.6	59.3	0	0	0	0	110.6	F465 I466 A487 L488 T530 Y531 L532	F465-V496 HydrophobicContact CB-CG2 4.21Å; I466-V496 HydrophobicContact CG1-CG1 4.16Å; I466-V496 HydrophobicContact CG1-CG2 4.43Å; A487-V496 WeakPolarHBondContact CA-O 3.36Å; L488-V496 HydrophobicContact CB-CG1 3.79Å; L488-V496 HydrophobicContact CD1-CG1 4.22Å; L488-V496 PolarHBondContact N-O 3.08Å; L488-V496 WeakPolarHBondContact O-CG1 3.4Å; L488-V496 PolarHBondContact O-N 2.88Å; V496-T530 HydrophobicContact CG2-CG2 3.54Å; V496-Y531 WeakPolarHBondContact CA-O 3.16Å; V496-L532 HydrophobicContact CB-CD2 3.55Å; V496-L532 HydrophobicContact CG2-CD2 3.55Å
497	V	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.6	171.3	178.7	0	0	0	0	109.5	L475 V486 A487 V499 I511 T530 Y531 W533	L475-V497 HydrophobicContact CD2-CG1 4.07Å; V486-V497 WeakPolarHBondContact O-CA 3.45Å; A487-V497 HydrophobicContact CB-CG2 3.77Å; V497-V499 HydrophobicContact CG1-CG2 3.88Å; V497-I511 HydrophobicContact CB-CD1 4.43Å; V497-I511 HydrophobicContact CG1-CD1 4.14Å; V497-T530 WeakPolarHBondContact O-CA 3.48Å; V497-Y531 PolarHBondContact N-O 2.7Å; V497-Y531 PolarHBondContact O-N 3.3Å; V497-W533 HydrophobicContact CB-CH2 4.41Å; V497-W533 HydrophobicContact CB-CZ3 4.3Å; V497-W533 HydrophobicContact CG2-CH2 3.51Å; V497-W533 HydrophobicContact CG2-CZ3 3.86Å
498	V	98.9	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.9	170.3	-172.1	0	0	0	0	108.7	H461 F462 A485 V486 I528 H529 T530	H461-V498 WeakPolarHBondContact O-CG2 3.49Å; F462-V498 HydrophobicContact CD1-CB 4.38Å; F462-V498 HydrophobicContact CD1-CG1 4.38Å; F462-V498 HydrophobicContact CD1-CG2 3.91Å; F462-V498 HydrophobicContact CE1-CB 3.83Å; F462-V498 HydrophobicContact CE1-CG1 3.66Å; F462-V498 HydrophobicContact CE1-CG2 3.89Å; F462-V498 HydrophobicContact CE2-CG1 4.37Å; F462-V498 HydrophobicContact CZ-CB 4.33Å; F462-V498 HydrophobicContact CZ-CG1 3.65Å; A485-V498 VanDerWaalsContact CA-O 3.28Å; A485-V498 WeakPolarHBondContact CA-O 3.47Å; V486-V498 HydrophobicContact CG1-CB 4.23Å; V486-V498 PolarHBondContact N-O 3.17Å; V486-V498 PolarHBondContact O-N 3.24Å; V498-I528 HydrophobicContact CG1-CD1 4.04Å; V498-I528 HydrophobicContact CG1-CG1 4.06Å; V498-H529 CarbonylContact C-O 3.41Å; V498-H529 WeakPolarHBondContact CA-O 3.14Å; V498-T530 HydrophobicContact CG2-CG2 4.02Å
499	V	98.9	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.7	177.5	-175.6	0	0	0	0	108.8	L106 L483 A485 V497 L509 I511 I528 H529 Y531	L106-V499 HydrophobicContact CD1-CG2 4.49Å; L483-V499 HydrophobicContact CB-CG1 4.38Å; L483-V499 HydrophobicContact CD1-CG1 3.87Å; A485-V499 HydrophobicContact CB-CG2 4.34Å; V497-V499 HydrophobicContact CG1-CG2 3.88Å; V499-L509 HydrophobicContact CG1-CD1 4.27Å; V499-L509 HydrophobicContact CG2-CD1 4.38Å; V499-I511 HydrophobicContact CG2-CD1 4.48Å; V499-I528 WeakPolarHBondContact O-CA 3.34Å; V499-H529 PolarHBondContact N-O 2.98Å; V499-H529 PolarHBondContact O-N 2.91Å; V499-Y531 HydrophobicContact CB-CE2 4.38Å; V499-Y531 HydrophobicContact CG2-CD2 4.28Å; V499-Y531 HydrophobicContact CG2-CE2 4Å
500	L	98.9	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124	178	170.7	70.2	0	0	0	109.5	M400 S403 H404 I407 D484 R502 I528	M400-L500 HydrophobicContact CG-CD1 4.38Å; S403-L500 WeakPolarHBondContact OG-CD1 3.42Å; S403-L500 VanDerWaalsContact OG-CD2 3.26Å; S403-L500 WeakPolarHBondContact OG-CD2 3.48Å; H404-L500 HydrophobicContact CB-CD2 3.92Å; I407-L500 HydrophobicContact CD1-CB 3.79Å; I407-L500 HydrophobicContact CD1-CD2 4.31Å; D484-L500 HydrophobicContact CB-CB 4.31Å; D484-L500 HydrophobicContact CB-CD2 4.36Å; D484-L500 PolarHBondContact N-O 3.33Å; D484-L500 PolarHBondContact O-N 2.82Å; L500-R502 HydrophobicContact CD1-CG 4.26Å; L500-R502 HydrophobicContact CD2-CG 3.84Å; L500-R502 HydrophobicContact CG-CG 3.88Å; L500-I528 HydrophobicContact CD1-CB 3.99Å; L500-I528 HydrophobicContact CD1-CD1 4.48Å; L500-I528 HydrophobicContact CD1-CG1 4.48Å
501	N	98.7	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	102.2	171.2	-173.2	-4.7	0	0	0	110	L483 S503 K505 S523 P524 Y526 S527	L483-N501 HydrophobicContact CD2-CB 3.53Å; N501-S503 VanDerWaalsContact C-N 3.32Å; N501-S503 WeakPolarHBondContact OD1-CA 3.48Å; N501-S503 VanDerWaalsContact OD1-CB 3.31Å; N501-S503 WeakPolarHBondContact OD1-CB 3.17Å; N501-S503 PolarHBondContact OD1-N 3.18Å; N501-S503 PolarHBondContact OD1-O 3.3Å; N501-S503 PolarHBondContact OD1-OG 2.58Å; N501-K505 PolarHBondContact ND2-O 2.87Å; N501-S523 VanDerWaalsContact CB-OG 3.31Å; N501-S523 WeakPolarHBondContact CB-OG 3.38Å; N501-S523 PolarHBondContact ND2-O 3.15Å; N501-P524 WeakPolarHBondContact CB-O 3.48Å; N501-P524 PolarHBondContact ND2-O 3.07Å; N501-P524 VanDerWaalsContact ND2-O 3.14Å; N501-Y526 VanDerWaalsContact O-CA 3.23Å; N501-Y526 WeakPolarHBondContact O-CA 3.42Å; N501-Y526 PolarHBondContact O-N 3.02Å; N501-S527 PolarHBondContact N-O 3.14Å; N501-S527 PolarHBondContact O-N 3Å
502	R	98.5	Very high	98.2	Very high	100 Å²	100	36.5 Å²	36.5	38%	0.377	20%	0.197	S	C	.	.			trans	-83.3	-8.5	174.7	-65.2	-174.6	-75.5	117.2	4	113.6	M400 H404 D484 L500 Y526	M400-R502 HydrophobicContact CB-CG 4.18Å; M400-R502 HydrophobicContact CG-CG 4.34Å; M400-R502 HydrophobicContact SD-CB 4.04Å; M400-R502 HydrophobicContact SD-CG 3.87Å; H404-R502 PolarHBondContact CE1-NH2 3.08Å; H404-R502 VanDerWaalsContact CE1-NH2 3.32Å; H404-R502 PolarHBondContact ND1-NE 2.84Å; H404-R502 PolarHBondContact ND1-NH2 3.27Å; D484-R502 IonicContact OD1-NH2 2.97Å; D484-R502 PolarHBondContact OD1-NH2 3.38Å; D484-R502 VanDerWaalsContact OD1-NH2 3.15Å; D484-R502 IonicContact OD2-CZ 2.69Å; D484-R502 VanDerWaalsContact OD2-CZ 3.26Å; D484-R502 IonicContact OD2-NE 3.51Å; D484-R502 PolarHBondContact OD2-NE 2.85Å; D484-R502 IonicContact OD2-NH2 3.77Å; D484-R502 PolarHBondContact OD2-NH2 3.14Å; L500-R502 HydrophobicContact CD1-CG 4.26Å; L500-R502 HydrophobicContact CD2-CG 3.84Å; L500-R502 HydrophobicContact CG-CG 3.88Å; R502-Y526 WeakPolarHBondContact O-CE1 3.22Å
503	S	98.1	Very high	98.3	Very high	24 Å²	24	32 Å²	32	17%	0.168	17%	0.173	C	C	.	.	S	Bend	trans	-80.6	166	178.2	88.7	0	0	0	0	111.3	N501 K505 G525 Y526	N501-S503 VanDerWaalsContact C-N 3.32Å; N501-S503 WeakPolarHBondContact OD1-CA 3.48Å; N501-S503 VanDerWaalsContact OD1-CB 3.31Å; N501-S503 WeakPolarHBondContact OD1-CB 3.17Å; N501-S503 PolarHBondContact OD1-N 3.18Å; N501-S503 PolarHBondContact OD1-O 3.3Å; N501-S503 PolarHBondContact OD1-OG 2.58Å; S503-K505 VanDerWaalsContact C-N 3.3Å; S503-K505 PolarHBondContact OG-N 2.7Å; S503-K505 VanDerWaalsContact OG-N 3.15Å; S503-K505 PolarHBondContact OG-O 3.19Å; S503-G525 CarbonylContact O-C 3.57Å; S503-G525 VanDerWaalsContact O-CA 3.24Å; S503-G525 WeakPolarHBondContact O-CA 3.29Å; S503-Y526 PolarHBondContact O-N 2.89Å
504	S	97.9	Very high	98.4	Very high	83 Å²	83	34.7 Å²	34.7	58%	0.58	19%	0.187	S	C	*	.	S	Bend	trans	-82.9	-2.6	171.7	55	0	0	0	0	114.4	Y526	S504-Y526 VanDerWaalsContact CA-CE2 3.46Å
505	K	98	Very high	98.4	Very high	146 Å²	146	37.3 Å²	37.3	64%	0.635	21%	0.208	S	C	*	.	S	Bend	trans	-102.4	136	-173.5	-62.3	177.4	-177.2	174.2	0	110.1	N501 S503	N501-K505 PolarHBondContact ND2-O 2.87Å; S503-K505 VanDerWaalsContact C-N 3.3Å; S503-K505 PolarHBondContact OG-N 2.7Å; S503-K505 VanDerWaalsContact OG-N 3.15Å; S503-K505 PolarHBondContact OG-O 3.19Å
506	D	98.2	Very high	98.3	Very high	97 Å²	97	38.8 Å²	38.8	52%	0.519	22%	0.218	S	C	.	.			trans	-68.3	134.5	168.1	-64.3	-2.9	0	0	0	109.5	I522 P524 G525	D506-I522 HydrophobicContact CB-CD1 3.96Å; D506-I522 HydrophobicContact CB-CG1 4.3Å; D506-P524 VanDerWaalsContact OD1-CA 3.25Å; D506-P524 WeakPolarHBondContact OD1-CA 3.44Å; D506-G525 PolarHBondContact OD1-N 3.26Å
507	V	98.2	Very high	98.3	Very high	30 Å²	30	39.3 Å²	39.3	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.5	179.5	-178.1	0	0	0	0	109	L104 L483 L509 S523	L104-V507 HydrophobicContact CD2-CG1 4Å; L483-V507 HydrophobicContact CD1-CB 4.32Å; L483-V507 HydrophobicContact CD1-CG1 4Å; L483-V507 HydrophobicContact CD2-CB 4.26Å; L483-V507 HydrophobicContact CD2-CG2 4.04Å; L483-V507 HydrophobicContact CG-CG1 4.43Å; V507-L509 VanDerWaalsContact O-CD2 3.31Å; V507-L509 WeakPolarHBondContact O-CD2 3.43Å; V507-L509 PolarHBondContact O-N 3.45Å; V507-S523 PolarHBondContact N-O 2.75Å; V507-S523 PolarHBondContact O-N 2.59Å
508	P	97.4	Very high	98.3	Very high	87 Å²	87	40.7 Å²	40.7	57%	0.565	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.3	164.6	-20	32.9	0	0	0	109.5
509	L	97.8	Very high	98.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.1	177.9	73	157.6	0	0	0	112	L104 L106 L483 V499 V507 I511 T521	L104-L509 HydrophobicContact CB-CB 4.28Å; L104-L509 HydrophobicContact CD2-CB 4.32Å; L104-L509 HydrophobicContact CG-CB 4.35Å; L104-L509 CarbonylContact O-C 3.6Å; L104-L509 VanDerWaalsContact O-CA 3.26Å; L104-L509 WeakPolarHBondContact O-CA 3.35Å; L106-L509 HydrophobicContact CD1-CD1 3.76Å; L106-L509 HydrophobicContact CG-CD1 4.34Å; L483-L509 HydrophobicContact CD1-CD1 4.21Å; V499-L509 HydrophobicContact CG1-CD1 4.27Å; V499-L509 HydrophobicContact CG2-CD1 4.38Å; V507-L509 VanDerWaalsContact O-CD2 3.31Å; V507-L509 WeakPolarHBondContact O-CD2 3.43Å; V507-L509 PolarHBondContact O-N 3.45Å; L509-I511 HydrophobicContact CD1-CG1 4.33Å; L509-T521 HydrophobicContact CD1-CG2 4.44Å; L509-T521 HydrophobicContact CD2-CG2 3.75Å; L509-T521 HydrophobicContact CG-CG2 3.72Å; L509-T521 PolarHBondContact N-O 3.01Å; L509-T521 CarbonylContact O-C 3.55Å; L509-T521 WeakPolarHBondContact O-CG2 3.39Å; L509-T521 PolarHBondContact O-N 2.98Å
510	T	98.6	Very high	98.2	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.6	173	-44.8	0	0	0	0	108.1	H99 L104 L105 L106 F518 L519 E520	H99-T510 PolarHBondContact CE1-OG1 2.83Å; H99-T510 PolarHBondContact ND1-OG1 3.31Å; L104-T510 PolarHBondContact O-N 2.84Å; L105-T510 CarbonylContact C-O 3.6Å; L105-T510 WeakPolarHBondContact CA-O 3.41Å; L105-T510 HydrophobicContact CD1-CG2 3.87Å; L106-T510 PolarHBondContact N-O 2.91Å; T510-F518 HydrophobicContact CG2-CB 3.83Å; T510-F518 HydrophobicContact CG2-CD1 3.9Å; T510-F518 HydrophobicContact CG2-CG 4.34Å; T510-L519 WeakPolarHBondContact CA-O 3.48Å; T510-E520 WeakPolarHBondContact CB-OE2 3.37Å; T510-E520 WeakPolarHBondContact CG2-OE2 3.27Å; T510-E520 PolarHBondContact OG1-OE2 3.33Å
511	I	98.8	Very high	98.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.5	170.9	-54.5	172	0	0	0	108.2	L106 V497 V499 L509 F518 L519 Y531 W533	L106-I511 HydrophobicContact CB-CG1 4.46Å; L106-I511 CarbonylContact O-C 3.45Å; L106-I511 WeakPolarHBondContact O-CA 3Å; V497-I511 HydrophobicContact CB-CD1 4.43Å; V497-I511 HydrophobicContact CG1-CD1 4.14Å; V499-I511 HydrophobicContact CG2-CD1 4.48Å; L509-I511 HydrophobicContact CD1-CG1 4.33Å; I511-F518 CarbonylContact O-C 3.56Å; I511-F518 WeakPolarHBondContact O-CA 3.42Å; I511-L519 HydrophobicContact CB-CB 4.21Å; I511-L519 PolarHBondContact N-O 3.4Å; I511-L519 PolarHBondContact O-N 3.03Å; I511-Y531 HydrophobicContact CD1-CD1 4.42Å; I511-Y531 HydrophobicContact CD1-CD2 3.81Å; I511-Y531 HydrophobicContact CD1-CE2 4.06Å; I511-Y531 HydrophobicContact CD1-CG 4.01Å; I511-W533 HydrophobicContact CG2-CH2 4.02Å
512	K	98.6	Very high	98.1	Very high	71 Å²	71	49.1 Å²	49.1	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.7	177.7	179	-172.6	-175	-175.1	0	110.8	L105 L106 T107 L108 G517 F518	L105-K512 HydrophobicContact CD1-CB 3.98Å; L106-K512 PolarHBondContact O-N 2.63Å; T107-K512 HydrophobicContact CG2-CD 4.08Å; L108-K512 VanDerWaalsContact CB-O 3.28Å; L108-K512 WeakPolarHBondContact CB-O 3.21Å; L108-K512 PolarHBondContact N-O 2.9Å; K512-G517 WeakPolarHBondContact CA-O 3.47Å; K512-F518 HydrophobicContact CB-CD1 3.81Å; K512-F518 HydrophobicContact CB-CE1 3.89Å; K512-F518 HydrophobicContact CD-CD1 4.39Å; K512-F518 HydrophobicContact CD-CE1 3.62Å; K512-F518 HydrophobicContact CD-CZ 4Å; K512-F518 HydrophobicContact CG-CD1 3.94Å; K512-F518 HydrophobicContact CG-CE1 3.66Å; K512-F518 HydrophobicContact CG-CZ 4.17Å
513	D	98.5	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117	161.2	-176.9	-20	0	0	0	108.9	L108 A515 V516 G517 W533 R535	L108-D513 HydrophobicContact CD2-CB 4.24Å; D513-A515 PolarHBondContact O-N 3.06Å; D513-A515 PolarHBondContact OD1-N 2.82Å; D513-V516 HydrophobicContact CB-CG2 3.69Å; D513-V516 PolarHBondContact O-N 3.14Å; D513-V516 VanDerWaalsContact O-N 3.1Å; D513-G517 PolarHBondContact N-O 2.97Å; D513-G517 PolarHBondContact O-N 3.33Å; D513-W533 HydrophobicContact CB-CZ2 3.88Å; D513-W533 PolarHBondContact OD2-NE1 3.42Å; D513-R535 IonicContact OD1-CZ 3.64Å; D513-R535 IonicContact OD1-NE 3.25Å; D513-R535 PolarHBondContact OD1-NE 3.46Å; D513-R535 IonicContact OD1-NH2 2.76Å; D513-R535 PolarHBondContact OD1-NH2 2.65Å; D513-R535 IonicContact OD2-CZ 2.71Å; D513-R535 IonicContact OD2-NE 3.37Å; D513-R535 PolarHBondContact OD2-NE 2.71Å; D513-R535 IonicContact OD2-NH2 3.61Å
514	P	97.9	Very high	98.1	Very high	80 Å²	80	44.3 Å²	44.3	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-20.3	-179.5	-27.7	35.3	0	0	0	116	L108	L108-P514 WeakPolarHBondContact O-CD 3.17Å
515	A	97.7	Very high	98.1	Very high	59 Å²	59	41.2 Å²	41.2	49%	0.488	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-23.3	179.2	0	0	0	0	0	114.9	D513	D513-A515 PolarHBondContact O-N 3.06Å; D513-A515 PolarHBondContact OD1-N 2.82Å
516	V	97.8	Very high	98.1	Very high	32 Å²	32	36.7 Å²	36.7	19%	0.194	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-20.2	-172.7	-64.7	0	0	0	0	114.9	L73 I95 D513 R535	L73-V516 HydrophobicContact CD1-CG1 4.1Å; I95-V516 HydrophobicContact CD1-CB 4.47Å; I95-V516 HydrophobicContact CD1-CG2 4.05Å; I95-V516 HydrophobicContact CG2-CB 4.33Å; I95-V516 HydrophobicContact CG2-CG2 4.2Å; I95-V516 VanDerWaalsContact CG2-O 3.3Å; I95-V516 WeakPolarHBondContact CG2-O 3.44Å; D513-V516 HydrophobicContact CB-CG2 3.69Å; D513-V516 PolarHBondContact O-N 3.14Å; D513-V516 VanDerWaalsContact O-N 3.1Å; V516-R535 WeakPolarHBondContact CG1-O 3.39Å
517	G	98.1	Very high	98.2	Very high	11 Å²	11	32 Å²	32	11%	0.113	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.1	-137.7	177.8	0	0	0	0	0	113.6	Q96 K512 D513	Q96-G517 CarbonylContact O-C 3.54Å; Q96-G517 WeakPolarHBondContact O-CA 3.43Å; K512-G517 WeakPolarHBondContact CA-O 3.47Å; D513-G517 PolarHBondContact N-O 2.97Å; D513-G517 PolarHBondContact O-N 3.33Å
518	F	98.6	Very high	98.2	Very high	29 Å²	29	30.6 Å²	30.6	13%	0.127	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.4	-167.2	-58.6	-92.6	0	0	0	111.1	I95 Q96 H99 L105 T510 I511 K512	I95-F518 CarbonylContact C-O 3.58Å; I95-F518 VanDerWaalsContact CA-O 3.29Å; I95-F518 WeakPolarHBondContact CA-O 3.34Å; I95-F518 WeakPolarHBondContact CG2-O 3.31Å; Q96-F518 HydrophobicContact CB-CB 4.47Å; Q96-F518 PolarHBondContact N-O 3.14Å; Q96-F518 WeakPolarHBondContact O-CD2 3.42Å; Q96-F518 PolarHBondContact O-N 2.94Å; Q96-F518 PolarHBondContact OE1-O 2.9Å; H99-F518 HydrophobicContact CB-CB 4.11Å; H99-F518 HydrophobicContact CB-CD1 3.35Å; H99-F518 HydrophobicContact CB-CD2 3.79Å; H99-F518 HydrophobicContact CB-CE1 3.54Å; H99-F518 HydrophobicContact CB-CE2 3.98Å; H99-F518 HydrophobicContact CB-CG 3.48Å; H99-F518 VanDerWaalsContact CB-CG 3.48Å; H99-F518 HydrophobicContact CB-CZ 3.86Å; L105-F518 HydrophobicContact CD1-CD1 4.15Å; L105-F518 HydrophobicContact CD1-CE1 4.25Å; T510-F518 HydrophobicContact CG2-CB 3.83Å; T510-F518 HydrophobicContact CG2-CD1 3.9Å; T510-F518 HydrophobicContact CG2-CG 4.34Å; I511-F518 CarbonylContact O-C 3.56Å; I511-F518 WeakPolarHBondContact O-CA 3.42Å; K512-F518 HydrophobicContact CB-CD1 3.81Å; K512-F518 HydrophobicContact CB-CE1 3.89Å; K512-F518 HydrophobicContact CD-CD1 4.39Å; K512-F518 HydrophobicContact CD-CE1 3.62Å; K512-F518 HydrophobicContact CD-CZ 4Å; K512-F518 HydrophobicContact CG-CD1 3.94Å; K512-F518 HydrophobicContact CG-CE1 3.66Å; K512-F518 HydrophobicContact CG-CZ 4.17Å
519	L	98.3	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	99.2	173.5	-68.1	68.2	0	0	0	107.3	F76 I95 T510 I511 Y531 W533	F76-L519 HydrophobicContact CB-CD2 3.57Å; F76-L519 HydrophobicContact CB-CG 4.11Å; F76-L519 HydrophobicContact CD1-CB 3.98Å; F76-L519 HydrophobicContact CD1-CD2 3.78Å; F76-L519 HydrophobicContact CD1-CG 3.55Å; F76-L519 HydrophobicContact CD2-CD2 4.07Å; F76-L519 HydrophobicContact CE1-CB 3.95Å; F76-L519 HydrophobicContact CE1-CD2 4.44Å; F76-L519 HydrophobicContact CE1-CG 4.06Å; F76-L519 HydrophobicContact CG-CD2 3.55Å; F76-L519 HydrophobicContact CG-CG 3.89Å; F76-L519 HydrophobicContact CZ-CB 4.48Å; I95-L519 HydrophobicContact CD1-CD1 4.28Å; I95-L519 HydrophobicContact CG1-CD1 4.11Å; I95-L519 HydrophobicContact CG1-CG 4.17Å; I95-L519 HydrophobicContact CG2-CD1 4.21Å; T510-L519 WeakPolarHBondContact CA-O 3.48Å; I511-L519 HydrophobicContact CB-CB 4.21Å; I511-L519 PolarHBondContact N-O 3.4Å; I511-L519 PolarHBondContact O-N 3.03Å; L519-Y531 HydrophobicContact CD2-CD1 4.41Å; L519-W533 HydrophobicContact CD2-CD2 4.26Å; L519-W533 HydrophobicContact CD2-CE3 3.73Å; L519-W533 HydrophobicContact CD2-CZ3 3.9Å
520	E	97.5	Very high	98.3	Very high	77 Å²	77	26.4 Å²	26.4	36%	0.36	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.2	173.6	-60.3	-65.7	-175	0	0	110.9	Q96 H99 T510	Q96-E520 HydrophobicContact CG-CG 4.46Å; H99-E520 IonicContact CE1-OE1 3.73Å; H99-E520 IonicContact CG-OE1 3.66Å; H99-E520 IonicContact ND1-OE1 3.17Å; H99-E520 PolarHBondContact ND1-OE1 2.79Å; H99-E520 IonicContact ND1-OE2 3.6Å; T510-E520 WeakPolarHBondContact CB-OE2 3.37Å; T510-E520 WeakPolarHBondContact CG2-OE2 3.27Å; T510-E520 PolarHBondContact OG1-OE2 3.33Å
521	T	97.6	Very high	98.3	Very high	27 Å²	27	26.2 Å²	26.2	17%	0.166	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	178.3	-174.6	-163.1	0	0	0	0	112.6	L509 Y531	L509-T521 HydrophobicContact CD1-CG2 4.44Å; L509-T521 HydrophobicContact CD2-CG2 3.75Å; L509-T521 HydrophobicContact CG-CG2 3.72Å; L509-T521 PolarHBondContact N-O 3.01Å; L509-T521 CarbonylContact O-C 3.55Å; L509-T521 WeakPolarHBondContact O-CG2 3.39Å; L509-T521 PolarHBondContact O-N 2.98Å; T521-Y531 HydrophobicContact CG2-CE1 3.78Å; T521-Y531 WeakPolarHBondContact CG2-OH 3.36Å; T521-Y531 WeakPolarHBondContact OG1-CE1 3.38Å; T521-Y531 PolarHBondContact OG1-OH 3.36Å
522	I	97.3	Very high	98.3	Very high	73 Å²	73	26.2 Å²	26.2	37%	0.374	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.4	175.2	-166.3	169.9	0	0	0	107.5	D506 H529	D506-I522 HydrophobicContact CB-CD1 3.96Å; D506-I522 HydrophobicContact CB-CG1 4.3Å; I522-H529 PolarHBondContact O-CE1 2.98Å; I522-H529 PolarHBondContact O-ND1 2.81Å
523	S	98.4	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	99.7	167.7	-174.3	0	0	0	0	107.8	N501 V507 S527	N501-S523 VanDerWaalsContact CB-OG 3.31Å; N501-S523 WeakPolarHBondContact CB-OG 3.38Å; N501-S523 PolarHBondContact ND2-O 3.15Å; V507-S523 PolarHBondContact N-O 2.75Å; V507-S523 PolarHBondContact O-N 2.59Å; S523-S527 PolarHBondContact OG-OG 3.3Å
524	P	98.5	Very high	98.2	Very high	23 Å²	23	27.7 Å²	27.7	15%	0.149	16%	0.155	C	C	.	.			trans	-58.1	155.2	180	-25	34.2	0	0	0	112.5	N501 D506 Y526 S527 H529	N501-P524 WeakPolarHBondContact CB-O 3.48Å; N501-P524 PolarHBondContact ND2-O 3.07Å; N501-P524 VanDerWaalsContact ND2-O 3.14Å; D506-P524 VanDerWaalsContact OD1-CA 3.25Å; D506-P524 WeakPolarHBondContact OD1-CA 3.44Å; P524-Y526 PolarHBondContact O-N 2.97Å; P524-S527 WeakPolarHBondContact CD-OG 3.23Å; P524-S527 VanDerWaalsContact O-CB 3.27Å; P524-S527 WeakPolarHBondContact O-CB 3.35Å; P524-S527 PolarHBondContact O-N 3.09Å; P524-S527 PolarHBondContact O-OG 2.67Å; P524-H529 VanDerWaalsContact CD-CE1 3.4Å; P524-H529 WeakPolarHBondContact CD-CE1 3.36Å
525	G	98.3	Very high	98.2	Very high	17 Å²	17	26.3 Å²	26.3	18%	0.175	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	133	171.6	0	0	0	0	0	111.1	S503 D506	S503-G525 CarbonylContact O-C 3.57Å; S503-G525 VanDerWaalsContact O-CA 3.24Å; S503-G525 WeakPolarHBondContact O-CA 3.29Å; D506-G525 PolarHBondContact OD1-N 3.26Å
526	Y	98.7	Very high	98	Very high	51 Å²	51	33.1 Å²	33.1	20%	0.2	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	51.3	-175.2	-49.4	-73.3	0	0	0	113.9	R83 W396 M400 N501 R502 S503 S504 P524	R83-Y526 HydrophobicContact CB-CG 4.49Å; R83-Y526 PolarHBondContact N-O 2.64Å; W396-Y526 VanDerWaalsContact CZ2-O 3.25Å; W396-Y526 WeakPolarHBondContact CZ2-O 3.48Å; W396-Y526 PolarHBondContact NE1-O 2.76Å; M400-Y526 HydrophobicContact CE-CD1 4.06Å; M400-Y526 HydrophobicContact CE-CE1 4.39Å; M400-Y526 HydrophobicContact SD-CD1 3.95Å; N501-Y526 VanDerWaalsContact O-CA 3.23Å; N501-Y526 WeakPolarHBondContact O-CA 3.42Å; N501-Y526 PolarHBondContact O-N 3.02Å; R502-Y526 WeakPolarHBondContact O-CE1 3.22Å; S503-Y526 PolarHBondContact O-N 2.89Å; S504-Y526 VanDerWaalsContact CA-CE2 3.46Å; P524-Y526 PolarHBondContact O-N 2.97Å
527	S	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.1	175.1	67.7	0	0	0	0	112.6	S81 N501 S523 P524	S81-S527 WeakPolarHBondContact O-CA 3.32Å; N501-S527 PolarHBondContact N-O 3.14Å; N501-S527 PolarHBondContact O-N 3Å; S523-S527 PolarHBondContact OG-OG 3.3Å; P524-S527 WeakPolarHBondContact CD-OG 3.23Å; P524-S527 VanDerWaalsContact O-CB 3.27Å; P524-S527 WeakPolarHBondContact O-CB 3.35Å; P524-S527 PolarHBondContact O-N 3.09Å; P524-S527 PolarHBondContact O-OG 2.67Å
528	I	98.9	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.1	162	-180	169.5	0	0	0	109	S81 W396 H461 F462 V498 V499 L500	S81-I528 PolarHBondContact N-O 2.9Å; S81-I528 PolarHBondContact O-N 2.86Å; W396-I528 HydrophobicContact CH2-CG2 4.48Å; H461-I528 HydrophobicContact CB-CD1 3.68Å; H461-I528 HydrophobicContact CB-CG1 4.07Å; H461-I528 PolarHBondContact CE1-O 3.45Å; H461-I528 PolarHBondContact NE2-O 3.48Å; F462-I528 HydrophobicContact CE2-CD1 4.02Å; F462-I528 HydrophobicContact CZ-CD1 4.3Å; V498-I528 HydrophobicContact CG1-CD1 4.04Å; V498-I528 HydrophobicContact CG1-CG1 4.06Å; V499-I528 WeakPolarHBondContact O-CA 3.34Å; L500-I528 HydrophobicContact CD1-CB 3.99Å; L500-I528 HydrophobicContact CD1-CD1 4.48Å; L500-I528 HydrophobicContact CD1-CG1 4.48Å
529	H	98.8	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.8	-179.3	-68	175.7	0	0	0	111	R78 Y79 E80 V498 V499 I522 P524 Y531	R78-H529 PolarHBondContact NH1-CE1 2.84Å; R78-H529 PolarHBondContact NH1-NE2 3.43Å; R78-H529 VanDerWaalsContact NH1-NE2 3.15Å; Y79-H529 VanDerWaalsContact O-CA 3.26Å; Y79-H529 WeakPolarHBondContact O-CA 3.49Å; E80-H529 WeakPolarHBondContact CG-NE2 3.47Å; E80-H529 IonicContact OE1-CE1 2.75Å; E80-H529 IonicContact OE1-NE2 3.61Å; E80-H529 PolarHBondContact OE1-NE2 3.22Å; E80-H529 VanDerWaalsContact OE1-NE2 3.12Å; V498-H529 CarbonylContact C-O 3.41Å; V498-H529 WeakPolarHBondContact CA-O 3.14Å; V499-H529 PolarHBondContact N-O 2.98Å; V499-H529 PolarHBondContact O-N 2.91Å; I522-H529 PolarHBondContact O-CE1 2.98Å; I522-H529 PolarHBondContact O-ND1 2.81Å; P524-H529 VanDerWaalsContact CD-CE1 3.4Å; P524-H529 WeakPolarHBondContact CD-CE1 3.36Å; H529-Y531 HydrophobicContact CB-CD2 4.12Å; H529-Y531 HydrophobicContact CB-CE2 3.43Å; H529-Y531 VanDerWaalsContact CB-CE2 3.43Å; H529-Y531 AromaticContact ND1-CE2 3.98Å; H529-Y531 AromaticContact ND1-CZ 3.67Å; H529-Y531 PolarHBondContact ND1-OH 2.72Å
530	T	98.7	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.1	162.9	-51.8	0	0	0	0	109.6	R78 Y79 H461 F465 V496 V497 V498	R78-T530 WeakPolarHBondContact CA-O 3.25Å; Y79-T530 PolarHBondContact N-O 2.77Å; Y79-T530 PolarHBondContact O-N 3.23Å; H461-T530 WeakPolarHBondContact CB-OG1 3.32Å; H461-T530 PolarHBondContact ND1-N 2.78Å; H461-T530 PolarHBondContact ND1-OG1 2.57Å; H461-T530 PolarHBondContact O-OG1 3.22Å; F465-T530 HydrophobicContact CB-CG2 3.8Å; F465-T530 HydrophobicContact CD2-CG2 3.56Å; F465-T530 HydrophobicContact CE2-CG2 4.34Å; F465-T530 HydrophobicContact CG-CG2 3.85Å; V496-T530 HydrophobicContact CG2-CG2 3.54Å; V497-T530 WeakPolarHBondContact O-CA 3.48Å; V498-T530 HydrophobicContact CG2-CG2 4.02Å
531	Y	98.5	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.4	178.2	-61.5	-95	0	0	0	109.8	F76 S77 R78 V496 V497 V499 I511 L519 T521 H529	F76-Y531 AromaticContact CD2-CD1 3.85Å; F76-Y531 HydrophobicContact CD2-CD1 3.85Å; F76-Y531 HydrophobicContact CD2-CE1 4.42Å; F76-Y531 AromaticContact CE2-CD1 3.86Å; F76-Y531 HydrophobicContact CE2-CD1 3.86Å; F76-Y531 AromaticContact CE2-CE1 3.96Å; F76-Y531 HydrophobicContact CE2-CE1 3.96Å; S77-Y531 CarbonylContact O-C 3.56Å; S77-Y531 VanDerWaalsContact O-CA 3.31Å; S77-Y531 WeakPolarHBondContact O-CA 3.18Å; R78-Y531 HydrophobicContact CB-CD1 4.06Å; R78-Y531 HydrophobicContact CB-CE1 4.09Å; R78-Y531 HydrophobicContact CG-CD1 3.98Å; R78-Y531 HydrophobicContact CG-CE1 3.62Å; V496-Y531 WeakPolarHBondContact CA-O 3.16Å; V497-Y531 PolarHBondContact N-O 2.7Å; V497-Y531 PolarHBondContact O-N 3.3Å; V499-Y531 HydrophobicContact CB-CE2 4.38Å; V499-Y531 HydrophobicContact CG2-CD2 4.28Å; V499-Y531 HydrophobicContact CG2-CE2 4Å; I511-Y531 HydrophobicContact CD1-CD1 4.42Å; I511-Y531 HydrophobicContact CD1-CD2 3.81Å; I511-Y531 HydrophobicContact CD1-CE2 4.06Å; I511-Y531 HydrophobicContact CD1-CG 4.01Å; L519-Y531 HydrophobicContact CD2-CD1 4.41Å; T521-Y531 HydrophobicContact CG2-CE1 3.78Å; T521-Y531 WeakPolarHBondContact CG2-OH 3.36Å; T521-Y531 WeakPolarHBondContact OG1-CE1 3.38Å; T521-Y531 PolarHBondContact OG1-OH 3.36Å; H529-Y531 HydrophobicContact CB-CD2 4.12Å; H529-Y531 HydrophobicContact CB-CE2 3.43Å; H529-Y531 VanDerWaalsContact CB-CE2 3.43Å; H529-Y531 AromaticContact ND1-CE2 3.98Å; H529-Y531 AromaticContact ND1-CZ 3.67Å; H529-Y531 PolarHBondContact ND1-OH 2.72Å
532	L	98.3	Very high	98	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.8	178	-62.6	175.8	0	0	0	110.9	F70 F76 S77 Y79 F465 A495 V496	F70-L532 HydrophobicContact CD1-CB 4.31Å; F70-L532 HydrophobicContact CE1-CB 4.11Å; F70-L532 HydrophobicContact CE1-CD2 4.23Å; F76-L532 CarbonylContact C-O 3.43Å; F76-L532 WeakPolarHBondContact CA-O 3.31Å; S77-L532 PolarHBondContact N-O 3.29Å; S77-L532 PolarHBondContact O-N 3.47Å; Y79-L532 HydrophobicContact CE2-CD1 4.01Å; F465-L532 HydrophobicContact CB-CD2 4.4Å; F465-L532 HydrophobicContact CD1-CD1 3.81Å; F465-L532 HydrophobicContact CE1-CD1 4.27Å; F465-L532 HydrophobicContact CG-CD1 4.5Å; A495-L532 WeakPolarHBondContact O-CA 3.25Å; V496-L532 HydrophobicContact CB-CD2 3.55Å; V496-L532 HydrophobicContact CG2-CD2 3.55Å
533	W	98.1	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156	172.5	65.5	97.2	0	0	0	113	F76 I95 L108 A495 V497 I511 D513 L519	F76-W533 HydrophobicContact CB-CB 4.18Å; I95-W533 HydrophobicContact CD1-CB 3.94Å; I95-W533 HydrophobicContact CD1-CG 4.16Å; L108-W533 HydrophobicContact CD2-CZ2 4.08Å; A495-W533 HydrophobicContact CB-CD2 3.78Å; A495-W533 HydrophobicContact CB-CE3 4.22Å; A495-W533 HydrophobicContact CB-CG 4.35Å; A495-W533 HydrophobicContact CB-CH2 3.98Å; A495-W533 HydrophobicContact CB-CZ2 3.48Å; A495-W533 VanDerWaalsContact CB-CZ2 3.48Å; A495-W533 HydrophobicContact CB-CZ3 4.31Å; A495-W533 PolarHBondContact N-O 3.07Å; A495-W533 PolarHBondContact O-N 2.89Å; V497-W533 HydrophobicContact CB-CH2 4.41Å; V497-W533 HydrophobicContact CB-CZ3 4.3Å; V497-W533 HydrophobicContact CG2-CH2 3.51Å; V497-W533 HydrophobicContact CG2-CZ3 3.86Å; I511-W533 HydrophobicContact CG2-CH2 4.02Å; D513-W533 HydrophobicContact CB-CZ2 3.88Å; D513-W533 PolarHBondContact OD2-NE1 3.42Å; L519-W533 HydrophobicContact CD2-CD2 4.26Å; L519-W533 HydrophobicContact CD2-CE3 3.73Å; L519-W533 HydrophobicContact CD2-CZ3 3.9Å
534	R	97.7	Very high	98	Very high	102 Å²	102	34.3 Å²	34.3	39%	0.385	16%	0.157	S	C	.	.			trans	-80.1	139.4	168.3	-63.2	-176.5	-176.4	-83.9	-2.2	109.5	F70 P71 L73	F70-R534 HydrophobicContact CB-CG 4.16Å; P71-R534 VanDerWaalsContact O-CD 3.26Å; P71-R534 WeakPolarHBondContact O-CD 3.32Å; P71-R534 PolarHBondContact O-NE 2.97Å; P71-R534 VanDerWaalsContact O-NE 3.08Å; L73-R534 HydrophobicContact CD1-CB 4.33Å
535	R	97.5	Very high	98	Very high	50 Å²	50	35.3 Å²	35.3	19%	0.189	16%	0.158	C	C	.	.			trans	-95.9	-12.5	-178.8	-58.6	-168.8	71.3	-105.9	-5.7	114.2	G493 A495 D513 V516	G493-R535 WeakPolarHBondContact O-CD 3.44Å; G493-R535 WeakPolarHBondContact O-CG 3.34Å; A495-R535 HydrophobicContact CB-CG 4.12Å; D513-R535 IonicContact OD1-CZ 3.64Å; D513-R535 IonicContact OD1-NE 3.25Å; D513-R535 PolarHBondContact OD1-NE 3.46Å; D513-R535 IonicContact OD1-NH2 2.76Å; D513-R535 PolarHBondContact OD1-NH2 2.65Å; D513-R535 IonicContact OD2-CZ 2.71Å; D513-R535 IonicContact OD2-NE 3.37Å; D513-R535 PolarHBondContact OD2-NE 2.71Å; D513-R535 IonicContact OD2-NH2 3.61Å; V516-R535 WeakPolarHBondContact CG1-O 3.39Å
536	Q	93.4	Very high	98	Very high	202 Å²	202	36.9 Å²	36.9	94%	0.944	16%	0.157	S	C	*	.			trans	-161	0	178.5	60.3	-172.8	-1	0	0	108.4

Retrieved 536 of 536 residues in 767.6 ms (Link to these results)

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