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Kallistatin

Inhibits human amidolytic and kininogenase activities of tissue kallikrein. Inhibition is achieved by formation of an equimolar, heat- and SDS-stable complex between the inhibitor and the enzyme, and generation of a small C-terminal fragment of the inhibitor due to cleavage at the reactive site by tissue kallikrein.

AlphaFold DB , UniProt , Accession P29622, Species HUMAN (Homo sapiens, Human), Gene SERPINA4, Length 427 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.8	Very low	53.6	Low	215 Å²	215	143.3 Å²	143.3	100%	1.059	71%	0.713	S	S	*	*				0	14	0	-91	174.5	66.9	0	0	113.9
2	H	53.7	Low	53.4	Low	163 Å²	163	140.7 Å²	140.7	76%	0.755	71%	0.71	S	S	*	*			trans	-101.9	9.8	-176.3	-74.3	-63	0	0	0	115.3
3	L	52.9	Low	52.7	Low	155 Å²	155	133.5 Å²	133.5	81%	0.812	69%	0.693	S	S	*	*	S	Bend	trans	-97.3	-16.1	-179.2	-144.2	80	0	0	0	113.4
4	I	60.2	Low	52	Low	125 Å²	125	133.1 Å²	133.1	64%	0.641	69%	0.691	S	S	*	*	H	α-helix	trans	-84.5	-30.9	-177.2	-65	174.7	0	0	0	111	L7	I4-L7 PolarHBondContact O-N 2.69Å
5	D	54.4	Low	51.4	Low	100 Å²	100	134 Å²	134	54%	0.535	70%	0.696	S	S	.	*	H	α-helix	trans	-74.1	-28.3	-178.3	-60.7	-32.1	0	0	0	113.1
6	Y	55.3	Low	50.8	Low	185 Å²	185	131.1 Å²	131.1	73%	0.725	70%	0.698	S	S	*	*	H	α-helix	trans	-76.2	-26.1	175.2	-95.1	-85.3	0	0	0	113.3
7	L	54.7	Low	50.2	Low	127 Å²	127	132.6 Å²	132.6	67%	0.665	71%	0.705	S	S	*	*	H	α-helix	trans	-75.9	-26.7	178.1	-143.9	87.3	0	0	0	111.9	I4	I4-L7 PolarHBondContact O-N 2.69Å
8	L	52.2	Low	49.3	Very low	130 Å²	130	129.7 Å²	129.7	68%	0.681	70%	0.697	S	S	*	*	H	α-helix	trans	-76.7	-31.5	179.1	-134.8	86.8	0	0	0	112.7
9	L	53.2	Low	48.5	Very low	132 Å²	132	133.8 Å²	133.8	69%	0.691	71%	0.711	S	S	*	*	H	α-helix	trans	-75.4	-23.7	177.5	-82.6	156.8	0	0	0	113.2
10	L	53.2	Low	47.7	Very low	124 Å²	124	130.6 Å²	130.6	65%	0.649	71%	0.712	S	S	*	*	H	α-helix	trans	-79.9	-20.4	178.1	-122.3	145.4	0	0	0	113.2
11	L	49.7	Very low	46.9	Very low	120 Å²	120	132.7 Å²	132.7	63%	0.628	72%	0.717	S	S	*	*	H	α-helix	trans	-82.9	-19.2	176.2	-106.4	115.4	0	0	0	114.1
12	V	51.1	Low	45.9	Very low	112 Å²	112	130.4 Å²	130.4	68%	0.679	71%	0.708	S	S	*	*	H	α-helix	trans	-84.7	-21.7	179.8	179.9	0	0	0	0	112.1
13	G	45	Very low	44.7	Very low	47 Å²	47	129.7 Å²	129.7	49%	0.485	70%	0.704	S	S	.	*	S	Bend	trans	-80.1	-18.8	178.1	0	0	0	0	0	115.6
14	L	43.3	Very low	43.7	Very low	129 Å²	129	127.9 Å²	127.9	68%	0.675	70%	0.699	S	S	*	*	S	Bend	trans	-94	-8	-173.1	-89.4	154.5	0	0	0	114.8
15	L	41.8	Very low	42.2	Very low	146 Å²	146	130.1 Å²	130.1	76%	0.764	71%	0.707	S	S	*	*	S	Bend	trans	-95.9	-5.8	177.5	-79.7	160.5	0	0	0	113.9
16	A	42.6	Very low	41.1	Very low	87 Å²	87	134.1 Å²	134.1	72%	0.719	72%	0.722	S	S	*	*	S	Bend	trans	-97.9	0	-178	0	0	0	0	0	114.6
17	L	41	Very low	39.9	Very low	157 Å²	157	133.4 Å²	133.4	82%	0.822	73%	0.731	S	S	*	*	S	Bend	trans	-122.6	10.4	-172.2	-81.7	164.9	0	0	0	115.2
18	S	34	Very low	38.7	Very low	81 Å²	81	130.9 Å²	130.9	57%	0.566	74%	0.736	S	S	*	*			trans	-122	47.3	-175.2	71.9	0	0	0	0	113.9
19	H	34.3	Very low	37.5	Very low	207 Å²	207	134.3 Å²	134.3	96%	0.958	75%	0.749	S	S	*	*			trans	-146.8	73.1	159.3	-92.8	6.4	0	0	0	109.2
20	G	32.1	Very low	36.3	Very low	70 Å²	70	133.9 Å²	133.9	72%	0.722	76%	0.757	S	S	*	*			trans	-137.6	101.9	173	0	0	0	0	0	109.8
21	Q	31.2	Very low	34.9	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	76%	0.762	S	S	*	*			trans	26.1	120.2	156.9	-71.9	169.3	-54.3	0	0	120.1
22	L	28	Very low	33.8	Very low	166 Å²	166	132.4 Å²	132.4	87%	0.869	77%	0.765	S	S	*	*			trans	-113.5	103.9	147.4	-117.1	147.1	0	0	0	107.4	V24	L22-V24 HydrophobicContact CD2-CG2 4.41Å
23	H	29	Very low	32.6	Very low	149 Å²	149	134.1 Å²	134.1	69%	0.69	77%	0.771	S	S	*	*			trans	-78.8	129.1	164.8	-113	-72.2	0	0	0	108
24	V	30.6	Very low	31.7	Very low	116 Å²	116	137.8 Å²	137.8	70%	0.703	79%	0.789	S	S	*	*			trans	-129.9	110	157.6	177.9	0	0	0	0	106.3	L22	L22-V24 HydrophobicContact CD2-CG2 4.41Å
25	E	29.3	Very low	31	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	79%	0.793	S	S	*	*			trans	-76.3	133.2	163.7	-87.1	173.6	152.1	0	0	109.1
26	H	31.9	Very low	30.3	Very low	185 Å²	185	139 Å²	139	86%	0.856	80%	0.799	S	S	*	*			trans	-143.8	119.5	151.7	-109.4	-63.2	0	0	0	108.3
27	D	29	Very low	29.4	Very low	169 Å²	169	143.8 Å²	143.8	90%	0.904	81%	0.806	S	S	*	*			trans	-63.5	148.3	173.5	-75.9	-45.3	0	0	0	112.8
28	G	29.8	Very low	28.8	Very low	75 Å²	75	145 Å²	145	77%	0.773	81%	0.808	S	S	*	*			trans	171.9	97.3	167.2	0	0	0	0	0	112.7
29	E	27.7	Very low	28.5	Very low	202 Å²	202	147.7 Å²	147.7	94%	0.944	81%	0.814	S	S	*	*			trans	-53.6	138.5	174.3	-68.2	172	127.8	0	0	114
30	S	28.7	Very low	28.1	Very low	123 Å²	123	145.6 Å²	145.6	86%	0.86	81%	0.809	S	S	*	*			trans	173.9	139.6	130	177.7	0	0	0	0	111.9
31	C	22.8	Very low	28	Very low	114 Å²	114	150.5 Å²	150.5	77%	0.77	81%	0.814	S	S	*	*			trans	-63.5	164.1	-170.6	-77.6	0	0	0	0	117.8
32	S	26	Very low	27.8	Very low	99 Å²	99	148.9 Å²	148.9	69%	0.692	82%	0.816	S	S	*	*			trans	90.5	96.7	154	74	0	0	0	0	118.3
33	N	26.4	Very low	28	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	82%	0.815	S	S	*	*				177.5	127.6	96.7	-92.1	-27.7	0	0	0	111.1	S35	N33-S35 PolarHBondContact O-N 3.32Å
34	S	26.1	Very low	28.7	Very low	124 Å²	124	145 Å²	145	87%	0.867	82%	0.816	S	S	*	*			trans	-55.3	116.9	170	54.3	0	0	0	0	111
35	S	27.7	Very low	30.4	Very low	109 Å²	109	142 Å²	142	76%	0.762	81%	0.808	S	S	*	*			trans	-141.7	127.6	158.6	49.8	0	0	0	0	109.5	N33 Q37	N33-S35 PolarHBondContact O-N 3.32Å; S35-Q37 PolarHBondContact O-N 3.14Å
36	H	27.7	Very low	33.1	Very low	193 Å²	193	135.9 Å²	135.9	89%	0.894	78%	0.784	S	S	*	*			trans	-17.4	103.9	-179.6	-69.7	-59.7	0	0	0	117.2	Q38	H36-Q38 VanDerWaalsContact C-N 3.3Å; H36-Q38 PolarHBondContact O-N 2.64Å; H36-Q38 VanDerWaalsContact O-N 3.12Å
37	Q	23.9	Very low	36	Very low	187 Å²	187	129.5 Å²	129.5	87%	0.874	76%	0.759	S	S	*	*			trans	-71	93.7	144.9	-96.6	171.7	-31.8	0	0	107.8	S35 I39	S35-Q37 PolarHBondContact O-N 3.14Å; Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 3.11Å; Q37-I39 VanDerWaalsContact O-N 3.17Å
38	Q	28.1	Very low	39	Very low	181 Å²	181	121.5 Å²	121.5	85%	0.846	72%	0.717	S	S	*	*			trans	-71.9	100.6	156.7	-142.4	171.7	10.1	0	0	105.6	H36 L40	H36-Q38 VanDerWaalsContact C-N 3.3Å; H36-Q38 PolarHBondContact O-N 2.64Å; H36-Q38 VanDerWaalsContact O-N 3.12Å; Q38-L40 PolarHBondContact O-N 3.04Å
39	I	28.2	Very low	42.1	Very low	138 Å²	138	122.2 Å²	122.2	71%	0.708	70%	0.703	S	S	*	*			trans	-58.4	104.3	171	-65.8	169.5	0	0	0	106	Q37 E41	Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 3.11Å; Q37-I39 VanDerWaalsContact O-N 3.17Å; I39-E41 VanDerWaalsContact C-N 3.25Å; I39-E41 HydrophobicContact CG2-CG 3.96Å; I39-E41 PolarHBondContact O-N 3.39Å
40	L	26.9	Very low	45.3	Very low	163 Å²	163	115.9 Å²	115.9	85%	0.853	67%	0.672	S	S	*	*			trans	-65.5	97.7	155.7	-122	89.9	0	0	0	104.6	Q38 T42	Q38-L40 PolarHBondContact O-N 3.04Å; L40-T42 PolarHBondContact O-N 2.93Å
41	E	30.1	Very low	48.6	Very low	174 Å²	174	110 Å²	110	81%	0.813	63%	0.631	S	S	*	*			trans	-57.3	117.7	173.3	-83.8	-173.8	158.2	0	0	108.9	I39	I39-E41 VanDerWaalsContact C-N 3.25Å; I39-E41 HydrophobicContact CG2-CG 3.96Å; I39-E41 PolarHBondContact O-N 3.39Å
42	T	26.5	Very low	52	Low	140 Å²	140	105 Å²	105	86%	0.859	60%	0.597	S	S	*	*			trans	-62.5	126	170.8	44.6	0	0	0	0	110.7	L40	L40-T42 PolarHBondContact O-N 2.93Å
43	G	32.6	Very low	55.4	Low	83 Å²	83	104.4 Å²	104.4	86%	0.856	59%	0.591	S	S	*	*	S	Bend	trans	110.4	-25.4	143.1	0	0	0	0	0	119.1
44	E	43	Very low	58.7	Low	151 Å²	151	97.9 Å²	97.9	71%	0.706	56%	0.558	S	S	*	*	S	Bend	trans	-116.5	125.3	173.6	-76.2	-167	153.7	0	0	110.2
45	G	65.1	Low	62.1	Low	53 Å²	53	92.3 Å²	92.3	55%	0.546	52%	0.518	S	S	.	.			trans	-52.7	143	177.7	0	0	0	0	0	111.8
46	S	86.6	Confident	65.4	Low	43 Å²	43	87.8 Å²	87.8	30%	0.301	49%	0.487	S	S	.	.			trans	-41.8	133.8	-178	168.9	0	0	0	0	112.1	S48 L49 K50 H123	S46-S48 PolarHBondContact O-N 3.22Å; S46-S48 VanDerWaalsContact O-N 3.12Å; S46-S48 PolarHBondContact OG-OG 3.45Å; S46-S48 VanDerWaalsContact OG-OG 3.09Å; S46-L49 WeakPolarHBondContact O-CA 3.44Å; S46-L49 VanDerWaalsContact O-CB 3.27Å; S46-L49 WeakPolarHBondContact O-CB 3.25Å; S46-L49 PolarHBondContact O-N 3.19Å; S46-K50 PolarHBondContact O-N 3.35Å; S46-H123 PolarHBondContact OG-CE1 3.06Å
47	P	92.6	Very high	68.7	Low	51 Å²	51	81.5 Å²	81.5	33%	0.331	46%	0.461	S	S	.	.	H	α-helix	trans	-53	-38.6	-177.1	-27.6	34	0	0	0	113.3	L49 K50 G120 H123	P47-L49 VanDerWaalsContact C-N 3.29Å; P47-L49 PolarHBondContact O-N 3.46Å; P47-K50 PolarHBondContact O-N 3.12Å; P47-G120 WeakPolarHBondContact O-CA 3.41Å; P47-H123 HydrophobicContact CB-CB 4.15Å; P47-H123 HydrophobicContact CG-CB 4.49Å
48	S	93.5	Very high	72.2	Confident	2 Å²	2	72.6 Å²	72.6	1%	0.014	42%	0.419	C	S	.	.	H	α-helix	trans	-68	-27.6	177.7	49.3	0	0	0	0	113.2	S46 K50 I51 A52 H123	S46-S48 PolarHBondContact O-N 3.22Å; S46-S48 VanDerWaalsContact O-N 3.12Å; S46-S48 PolarHBondContact OG-OG 3.45Å; S46-S48 VanDerWaalsContact OG-OG 3.09Å; S48-K50 VanDerWaalsContact C-N 3.33Å; S48-I51 VanDerWaalsContact O-CG1 3.23Å; S48-I51 WeakPolarHBondContact O-CG1 3.47Å; S48-I51 PolarHBondContact O-N 3.17Å; S48-A52 PolarHBondContact O-N 2.62Å; S48-H123 PolarHBondContact OG-ND1 3.28Å
49	L	94	Very high	75.6	Confident	90 Å²	90	64 Å²	64	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-70.1	-30.5	176.6	-120.9	83.4	0	0	0	112.2	S46 P47 I51 A52 P53 Q413	S46-L49 WeakPolarHBondContact O-CA 3.44Å; S46-L49 VanDerWaalsContact O-CB 3.27Å; S46-L49 WeakPolarHBondContact O-CB 3.25Å; S46-L49 PolarHBondContact O-N 3.19Å; P47-L49 VanDerWaalsContact C-N 3.29Å; P47-L49 PolarHBondContact O-N 3.46Å; L49-I51 VanDerWaalsContact C-N 3.29Å; L49-I51 PolarHBondContact O-N 2.87Å; L49-A52 PolarHBondContact O-N 3.3Å; L49-P53 WeakPolarHBondContact O-CD 3.23Å; L49-Q413 HydrophobicContact CD1-CG 4.46Å
50	K	95	Very high	78.9	Confident	68 Å²	68	58.1 Å²	58.1	30%	0.296	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-33.8	176.7	-66.6	-174	179.6	179.3	0	112.1	S46 P47 S48 L112	S46-K50 PolarHBondContact O-N 3.35Å; P47-K50 PolarHBondContact O-N 3.12Å; S48-K50 VanDerWaalsContact C-N 3.33Å; K50-L112 HydrophobicContact CB-CD2 4.2Å; K50-L112 HydrophobicContact CD-CD2 4.34Å
51	I	96.9	Very high	82.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-93.2	-14.2	-178.3	64.1	162.8	0	0	0	114.1	S48 L49 A54 N55 F107 F121 L124	S48-I51 VanDerWaalsContact O-CG1 3.23Å; S48-I51 WeakPolarHBondContact O-CG1 3.47Å; S48-I51 PolarHBondContact O-N 3.17Å; L49-I51 VanDerWaalsContact C-N 3.29Å; L49-I51 PolarHBondContact O-N 2.87Å; I51-A54 PolarHBondContact O-N 2.74Å; I51-N55 PolarHBondContact O-N 3.06Å; I51-N55 VanDerWaalsContact O-N 3.11Å; I51-F107 HydrophobicContact CB-CE1 3.66Å; I51-F107 HydrophobicContact CB-CZ 4.12Å; I51-F107 HydrophobicContact CG2-CE1 3.68Å; I51-F107 HydrophobicContact CG2-CZ 4.25Å; I51-F121 HydrophobicContact CD1-CB 4.44Å; I51-F121 HydrophobicContact CD1-CD1 3.96Å; I51-F121 HydrophobicContact CD1-CD2 3.95Å; I51-F121 HydrophobicContact CD1-CE1 4.14Å; I51-F121 HydrophobicContact CD1-CE2 4.14Å; I51-F121 HydrophobicContact CD1-CG 3.85Å; I51-F121 HydrophobicContact CD1-CZ 4.23Å; I51-L124 HydrophobicContact CD1-CD1 4.47Å
52	A	95.8	Very high	85.5	Confident	8 Å²	8	45.6 Å²	45.6	7%	0.066	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-41.3	-176.2	0	0	0	0	0	113.8	S48 L49 N55 A56 Q413	S48-A52 PolarHBondContact O-N 2.62Å; L49-A52 PolarHBondContact O-N 3.3Å; A52-N55 PolarHBondContact O-N 3.04Å; A52-A56 WeakPolarHBondContact O-CB 3.28Å; A52-A56 PolarHBondContact O-N 2.5Å; A52-Q413 HydrophobicContact CB-CB 4.42Å
53	P	95.8	Very high	88.9	Confident	87 Å²	87	39 Å²	39	57%	0.565	24%	0.241	S	C	*	.	H	α-helix	trans	-61.7	-47.2	177.5	-24.6	35.4	0	0	0	113.3	L49 N55 A56 D57	L49-P53 WeakPolarHBondContact O-CD 3.23Å; P53-N55 PolarHBondContact O-N 2.88Å; P53-A56 PolarHBondContact O-N 3.23Å; P53-D57 PolarHBondContact O-N 3.16Å
54	A	97.2	Very high	92	Very high	11 Å²	11	40.9 Å²	40.9	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-44.4	178.9	0	0	0	0	0	111.7	I51 A56 D57 F58 G106 F107	I51-A54 PolarHBondContact O-N 2.74Å; A54-A56 VanDerWaalsContact C-N 3.3Å; A54-A56 PolarHBondContact O-N 3.39Å; A54-D57 PolarHBondContact O-N 2.65Å; A54-F58 PolarHBondContact O-N 2.69Å; A54-G106 WeakPolarHBondContact CB-O 3.42Å; A54-F107 HydrophobicContact CB-CD1 3.47Å; A54-F107 VanDerWaalsContact CB-CD1 3.47Å; A54-F107 HydrophobicContact CB-CE1 3.44Å; A54-F107 VanDerWaalsContact CB-CE1 3.44Å; A54-F107 HydrophobicContact CB-CG 4.18Å; A54-F107 HydrophobicContact CB-CZ 4.12Å
55	N	97.1	Very high	94.6	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-37.7	176.1	-73.8	-21.4	0	0	0	112.4	I51 A52 P53 A59 S83 F121	I51-N55 PolarHBondContact O-N 3.06Å; I51-N55 VanDerWaalsContact O-N 3.11Å; A52-N55 PolarHBondContact O-N 3.04Å; P53-N55 PolarHBondContact O-N 2.88Å; N55-A59 PolarHBondContact O-N 3.22Å; N55-A59 VanDerWaalsContact O-N 3.09Å; N55-S83 WeakPolarHBondContact OD1-CB 3.04Å; N55-F121 WeakPolarHBondContact OD1-CZ 3.23Å
56	A	96.6	Very high	96.1	Very high	14 Å²	14	32.5 Å²	32.5	12%	0.116	17%	0.171	C	C	.	.	H	α-helix	trans	-68.6	-46	175.5	0	0	0	0	0	111.2	A52 P53 A54 F58 A59 F60 P295	A52-A56 WeakPolarHBondContact O-CB 3.28Å; A52-A56 PolarHBondContact O-N 2.5Å; P53-A56 PolarHBondContact O-N 3.23Å; A54-A56 VanDerWaalsContact C-N 3.3Å; A54-A56 PolarHBondContact O-N 3.39Å; A56-F58 PolarHBondContact O-N 3.15Å; A56-A59 WeakPolarHBondContact O-CB 3.19Å; A56-A59 PolarHBondContact O-N 3.06Å; A56-A59 VanDerWaalsContact O-N 3.11Å; A56-F60 WeakPolarHBondContact O-CD2 3.35Å; A56-F60 PolarHBondContact O-N 3.15Å; A56-P295 HydrophobicContact CB-CB 3.92Å; A56-P295 HydrophobicContact CB-CG 4Å
57	D	97	Very high	96.6	Very high	62 Å²	62	30.9 Å²	30.9	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-56.8	-48.2	175.6	168.9	72.7	0	0	0	111.8	P53 A54 A59 F60 R61 P295	P53-D57 PolarHBondContact O-N 3.16Å; A54-D57 PolarHBondContact O-N 2.65Å; D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 2.93Å; D57-F60 PolarHBondContact O-N 2.98Å; D57-R61 PolarHBondContact O-N 3.17Å; D57-R61 IonicContact OD1-NE 2.76Å; D57-R61 IonicContact OD2-CZ 2.79Å; D57-R61 IonicContact OD2-NE 3.68Å; D57-R61 PolarHBondContact OD2-NE 3.01Å; D57-R61 IonicContact OD2-NH2 3.71Å; D57-R61 PolarHBondContact OD2-NH2 3.19Å; D57-P295 HydrophobicContact CB-CG 4.41Å
58	F	98.1	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.3	-40.5	174.5	177.1	-99.8	0	0	0	112.3	A54 A56 F60 R61 F62 I82 S83 L105 L333 L336 F338	A54-F58 PolarHBondContact O-N 2.69Å; A56-F58 PolarHBondContact O-N 3.15Å; F58-F60 PolarHBondContact O-N 2.85Å; F58-R61 PolarHBondContact O-N 3.14Å; F58-F62 HydrophobicContact CE1-CB 4.49Å; F58-F62 HydrophobicContact CE1-CD2 4.37Å; F58-F62 HydrophobicContact CE2-CD2 4.49Å; F58-F62 HydrophobicContact CZ-CB 4.46Å; F58-F62 AromaticContact CZ-CD2 3.86Å; F58-F62 HydrophobicContact CZ-CD2 3.86Å; F58-F62 VanDerWaalsContact O-CB 3.28Å; F58-F62 WeakPolarHBondContact O-CB 3.46Å; F58-F62 PolarHBondContact O-N 2.84Å; F58-I82 HydrophobicContact CE1-CB 4.11Å; F58-I82 HydrophobicContact CE1-CG2 3.71Å; F58-I82 HydrophobicContact CZ-CG2 3.72Å; F58-S83 VanDerWaalsContact CD1-OG 3.26Å; F58-S83 WeakPolarHBondContact CD1-OG 3.41Å; F58-L105 HydrophobicContact CD1-CD2 4.4Å; F58-L105 HydrophobicContact CD2-CD2 4.12Å; F58-L105 HydrophobicContact CE1-CD2 4.37Å; F58-L105 HydrophobicContact CE2-CD2 4.08Å; F58-L105 HydrophobicContact CG-CD2 4.28Å; F58-L105 HydrophobicContact CZ-CD2 4.21Å; F58-L333 HydrophobicContact CE2-CD2 4.16Å; F58-L333 HydrophobicContact CZ-CD2 3.95Å; F58-L336 HydrophobicContact CE2-CD1 4.15Å; F58-F338 HydrophobicContact CE2-CE2 4.05Å; F58-F338 HydrophobicContact CE2-CZ 4.25Å
59	A	98.1	Very high	96.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.2	-49.7	177	0	0	0	0	0	112.1	N55 A56 D57 Y63 F77 P79 V415 L418	N55-A59 PolarHBondContact O-N 3.22Å; N55-A59 VanDerWaalsContact O-N 3.09Å; A56-A59 WeakPolarHBondContact O-CB 3.19Å; A56-A59 PolarHBondContact O-N 3.06Å; A56-A59 VanDerWaalsContact O-N 3.11Å; D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 2.93Å; A59-Y63 WeakPolarHBondContact O-CB 3.13Å; A59-Y63 PolarHBondContact O-N 3.33Å; A59-F77 WeakPolarHBondContact O-CZ 3.4Å; A59-P79 HydrophobicContact CB-CB 3.36Å; A59-P79 HydrophobicContact CB-CG 3.34Å; A59-V415 HydrophobicContact CB-CB 4.38Å; A59-V415 HydrophobicContact CB-CG1 4.47Å; A59-L418 HydrophobicContact CB-CD2 4.14Å; A59-L418 WeakPolarHBondContact O-CD2 3.22Å
60	F	97.6	Very high	96.7	Very high	14 Å²	14	34 Å²	34	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-76.9	-34.8	-176.3	-64.6	-72.2	0	0	0	112.7	A56 D57 F58 Y63 Y64 L293 P295 L298 L418	A56-F60 WeakPolarHBondContact O-CD2 3.35Å; A56-F60 PolarHBondContact O-N 3.15Å; D57-F60 PolarHBondContact O-N 2.98Å; F58-F60 PolarHBondContact O-N 2.85Å; F60-Y63 PolarHBondContact O-N 2.76Å; F60-Y64 WeakPolarHBondContact O-CB 3.45Å; F60-Y64 PolarHBondContact O-N 2.83Å; F60-L293 WeakPolarHBondContact CB-O 3.5Å; F60-L293 HydrophobicContact CD1-CB 4.44Å; F60-L293 HydrophobicContact CD1-CD2 3.95Å; F60-L293 HydrophobicContact CD1-CG 3.68Å; F60-L293 WeakPolarHBondContact CD1-O 3.34Å; F60-L293 HydrophobicContact CE1-CD1 4.18Å; F60-L293 HydrophobicContact CE1-CD2 3.95Å; F60-L293 HydrophobicContact CE1-CG 3.59Å; F60-L293 WeakPolarHBondContact CG-O 3.39Å; F60-P295 HydrophobicContact CD2-CB 4.37Å; F60-P295 VanDerWaalsContact CD2-CD 3.45Å; F60-P295 HydrophobicContact CD2-CG 3.64Å; F60-P295 HydrophobicContact CE2-CB 4.25Å; F60-P295 HydrophobicContact CE2-CG 4.01Å; F60-L298 HydrophobicContact CZ-CB 4.09Å; F60-L298 HydrophobicContact CZ-CD2 4.05Å; F60-L418 HydrophobicContact CD1-CD2 3.88Å; F60-L418 HydrophobicContact CE1-CD1 4.3Å; F60-L418 HydrophobicContact CE1-CD2 4Å
61	R	97.6	Very high	96.5	Very high	74 Å²	74	34.8 Å²	34.8	28%	0.279	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-46	170.7	-74.6	-170.7	-69.4	138.2	1.5	111.8	D57 F58 Y64 L65 G104 L336	D57-R61 PolarHBondContact O-N 3.17Å; D57-R61 IonicContact OD1-NE 2.76Å; D57-R61 IonicContact OD2-CZ 2.79Å; D57-R61 IonicContact OD2-NE 3.68Å; D57-R61 PolarHBondContact OD2-NE 3.01Å; D57-R61 IonicContact OD2-NH2 3.71Å; D57-R61 PolarHBondContact OD2-NH2 3.19Å; F58-R61 PolarHBondContact O-N 3.14Å; R61-Y64 PolarHBondContact O-N 2.87Å; R61-L65 PolarHBondContact O-N 3.37Å; R61-L65 VanDerWaalsContact O-N 3.11Å; R61-G104 PolarHBondContact NH1-O 3.42Å; R61-G104 PolarHBondContact NH2-O 3.43Å; R61-L336 HydrophobicContact CB-CD2 4.31Å
62	F	98.2	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-46.6	176.5	-168.7	-78.2	0	0	0	111.1	F58 Y64 L65 I66 F77 I82 Y327 L329 I332 L333 L336	F58-F62 HydrophobicContact CE1-CB 4.49Å; F58-F62 HydrophobicContact CE1-CD2 4.37Å; F58-F62 HydrophobicContact CE2-CD2 4.49Å; F58-F62 HydrophobicContact CZ-CB 4.46Å; F58-F62 AromaticContact CZ-CD2 3.86Å; F58-F62 HydrophobicContact CZ-CD2 3.86Å; F58-F62 VanDerWaalsContact O-CB 3.28Å; F58-F62 WeakPolarHBondContact O-CB 3.46Å; F58-F62 PolarHBondContact O-N 2.84Å; F62-Y64 PolarHBondContact O-N 3.19Å; F62-L65 PolarHBondContact O-N 3.19Å; F62-I66 HydrophobicContact CD1-CG1 3.81Å; F62-I66 HydrophobicContact CE1-CD1 4.01Å; F62-I66 HydrophobicContact CE1-CG1 3.52Å; F62-I66 HydrophobicContact CZ-CD1 4.26Å; F62-I66 HydrophobicContact CZ-CG1 4.25Å; F62-I66 WeakPolarHBondContact O-CG1 3.01Å; F62-I66 PolarHBondContact O-N 2.89Å; F62-I66 VanDerWaalsContact O-N 3.11Å; F62-F77 HydrophobicContact CB-CE2 4Å; F62-F77 HydrophobicContact CB-CZ 4.07Å; F62-F77 HydrophobicContact CD1-CD1 4.07Å; F62-F77 AromaticContact CD1-CD2 3.73Å; F62-F77 HydrophobicContact CD1-CD2 3.73Å; F62-F77 AromaticContact CD1-CE1 3.79Å; F62-F77 HydrophobicContact CD1-CE1 3.79Å; F62-F77 AromaticContact CD1-CE2 3.4Å; F62-F77 HydrophobicContact CD1-CE2 3.4Å; F62-F77 VanDerWaalsContact CD1-CE2 3.4Å; F62-F77 HydrophobicContact CD1-CG 4.05Å; F62-F77 AromaticContact CD1-CZ 3.46Å; F62-F77 HydrophobicContact CD1-CZ 3.46Å; F62-F77 VanDerWaalsContact CD1-CZ 3.46Å; F62-F77 HydrophobicContact CE1-CD1 4.16Å; F62-F77 AromaticContact CE1-CD2 3.96Å; F62-F77 HydrophobicContact CE1-CD2 3.96Å; F62-F77 HydrophobicContact CE1-CE1 4.34Å; F62-F77 HydrophobicContact CE1-CE2 4.12Å; F62-F77 AromaticContact CE1-CG 3.98Å; F62-F77 HydrophobicContact CE1-CG 3.98Å; F62-F77 HydrophobicContact CE1-CZ 4.33Å; F62-F77 HydrophobicContact CG-CD2 4.44Å; F62-F77 AromaticContact CG-CE2 3.9Å; F62-F77 HydrophobicContact CG-CE2 3.9Å; F62-F77 HydrophobicContact CG-CZ 4.14Å; F62-I82 HydrophobicContact CE1-CD1 4.48Å; F62-I82 HydrophobicContact CE2-CD1 4.18Å; F62-I82 HydrophobicContact CZ-CD1 4.11Å; F62-Y327 HydrophobicContact CZ-CG 4.49Å; F62-L329 HydrophobicContact CE2-CD2 3.77Å; F62-L329 HydrophobicContact CZ-CD2 3.79Å; F62-I332 HydrophobicContact CD2-CG2 4.45Å; F62-I332 HydrophobicContact CE2-CG2 3.73Å; F62-I332 HydrophobicContact CZ-CG2 3.98Å; F62-L333 HydrophobicContact CD2-CD2 3.98Å; F62-L333 HydrophobicContact CE2-CD2 3.82Å; F62-L336 HydrophobicContact CB-CD1 4.05Å; F62-L336 HydrophobicContact CD2-CD1 3.62Å; F62-L336 HydrophobicContact CG-CD1 4.2Å
63	Y	98.2	Very high	96.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-48.6	176.9	177.8	-87.7	0	0	0	112.1	A59 F60 L65 I66 A67 I75 F77 E290 L293 L404 L418 K420	A59-Y63 WeakPolarHBondContact O-CB 3.13Å; A59-Y63 PolarHBondContact O-N 3.33Å; F60-Y63 PolarHBondContact O-N 2.76Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 3.09Å; Y63-I66 PolarHBondContact O-N 3.23Å; Y63-A67 HydrophobicContact CD1-CB 4.44Å; Y63-A67 HydrophobicContact CE1-CB 4Å; Y63-A67 VanDerWaalsContact O-CB 3.3Å; Y63-A67 WeakPolarHBondContact O-CB 3.31Å; Y63-A67 PolarHBondContact O-N 3.31Å; Y63-I75 HydrophobicContact CD2-CG2 4.07Å; Y63-I75 HydrophobicContact CE2-CB 4.43Å; Y63-I75 HydrophobicContact CE2-CD1 4.24Å; Y63-I75 HydrophobicContact CE2-CG2 4.11Å; Y63-F77 HydrophobicContact CD2-CE1 4.15Å; Y63-E290 HydrophobicContact CE1-CB 4.35Å; Y63-E290 HydrophobicContact CE1-CG 3.94Å; Y63-E290 PolarHBondContact OH-OE1 3.25Å; Y63-L293 HydrophobicContact CD1-CD2 4.09Å; Y63-L293 HydrophobicContact CE1-CD2 4.04Å; Y63-L404 WeakPolarHBondContact OH-CD2 3.45Å; Y63-L418 HydrophobicContact CD2-CD1 4.23Å; Y63-L418 HydrophobicContact CD2-CD2 4.07Å; Y63-L418 HydrophobicContact CD2-CG 3.73Å; Y63-L418 HydrophobicContact CG-CD2 3.97Å; Y63-L418 HydrophobicContact CG-CG 4.15Å; Y63-K420 HydrophobicContact CE2-CB 4.27Å; Y63-K420 WeakPolarHBondContact OH-CB 3.01Å
64	Y	97.3	Very high	96.4	Very high	123 Å²	123	40.7 Å²	40.7	48%	0.482	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-41.1	-178	-174.6	-95.4	0	0	0	112	F60 R61 F62 A67 S68	F60-Y64 WeakPolarHBondContact O-CB 3.45Å; F60-Y64 PolarHBondContact O-N 2.83Å; R61-Y64 PolarHBondContact O-N 2.87Å; F62-Y64 PolarHBondContact O-N 3.19Å; Y64-A67 PolarHBondContact O-N 3.23Å; Y64-S68 WeakPolarHBondContact O-CB 3.46Å; Y64-S68 PolarHBondContact O-N 3.35Å; Y64-S68 PolarHBondContact O-OG 3.25Å
65	L	97.5	Very high	96.4	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-52.2	174.8	-179.5	154.1	0	0	0	111.3	R61 F62 Y63 A67 S68 E69 I332 R335 L336	R61-L65 PolarHBondContact O-N 3.37Å; R61-L65 VanDerWaalsContact O-N 3.11Å; F62-L65 PolarHBondContact O-N 3.19Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 3.09Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.38Å; L65-S68 PolarHBondContact O-N 2.97Å; L65-E69 HydrophobicContact CD2-CG 4.49Å; L65-E69 WeakPolarHBondContact CD2-OE1 3.24Å; L65-E69 WeakPolarHBondContact CG-OE1 3.44Å; L65-E69 WeakPolarHBondContact O-CG 3.11Å; L65-E69 PolarHBondContact O-N 3.15Å; L65-E69 VanDerWaalsContact O-N 3.08Å; L65-I332 HydrophobicContact CD2-CG2 3.78Å; L65-R335 HydrophobicContact CD1-CB 3.52Å; L65-L336 HydrophobicContact CB-CD2 4.31Å; L65-L336 HydrophobicContact CD1-CD1 4.41Å; L65-L336 HydrophobicContact CD1-CD2 3.69Å; L65-L336 HydrophobicContact CD1-CG 3.77Å
66	I	97.7	Very high	96.3	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-41.3	-178.9	-60.7	-59.7	0	0	0	111.5	F62 Y63 S68 E69 T70 I75 Y327 I332	F62-I66 HydrophobicContact CD1-CG1 3.81Å; F62-I66 HydrophobicContact CE1-CD1 4.01Å; F62-I66 HydrophobicContact CE1-CG1 3.52Å; F62-I66 HydrophobicContact CZ-CD1 4.26Å; F62-I66 HydrophobicContact CZ-CG1 4.25Å; F62-I66 WeakPolarHBondContact O-CG1 3.01Å; F62-I66 PolarHBondContact O-N 2.89Å; F62-I66 VanDerWaalsContact O-N 3.11Å; Y63-I66 PolarHBondContact O-N 3.23Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.04Å; I66-E69 PolarHBondContact O-N 3.12Å; I66-T70 PolarHBondContact O-N 3.36Å; I66-T70 PolarHBondContact O-OG1 3.25Å; I66-I75 HydrophobicContact CB-CD1 4.47Å; I66-I75 HydrophobicContact CG2-CD1 3.92Å; I66-I75 HydrophobicContact CG2-CG1 3.93Å; I66-I75 HydrophobicContact CG2-CG2 4.02Å; I66-Y327 HydrophobicContact CD1-CD1 3.95Å; I66-Y327 HydrophobicContact CD1-CE1 3.84Å; I66-Y327 HydrophobicContact CG1-CE1 4.02Å; I66-Y327 HydrophobicContact CG2-CE1 3.81Å; I66-I332 HydrophobicContact CD1-CD1 4Å; I66-I332 HydrophobicContact CD1-CG1 4.39Å; I66-I332 HydrophobicContact CD1-CG2 4.01Å
67	A	96.5	Very high	96.4	Very high	9 Å²	9	39.2 Å²	39.2	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-34.8	178.4	0	0	0	0	0	112.6	Y63 Y64 L65 I75	Y63-A67 HydrophobicContact CD1-CB 4.44Å; Y63-A67 HydrophobicContact CE1-CB 4Å; Y63-A67 VanDerWaalsContact O-CB 3.3Å; Y63-A67 WeakPolarHBondContact O-CB 3.31Å; Y63-A67 PolarHBondContact O-N 3.31Å; Y64-A67 PolarHBondContact O-N 3.23Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.38Å; A67-I75 HydrophobicContact CB-CD1 3.8Å
68	S	95.5	Very high	96.4	Very high	71 Å²	71	36.2 Å²	36.2	50%	0.497	20%	0.196	S	C	.	.	H	α-helix	trans	-71.9	-37.3	176.2	-60.3	0	0	0	0	112.5	Y64 L65 I66	Y64-S68 WeakPolarHBondContact O-CB 3.46Å; Y64-S68 PolarHBondContact O-N 3.35Å; Y64-S68 PolarHBondContact O-OG 3.25Å; L65-S68 PolarHBondContact O-N 2.97Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.04Å
69	E	94.3	Very high	96.4	Very high	81 Å²	81	36.3 Å²	36.3	38%	0.379	20%	0.196	S	C	.	.	H	α-helix	trans	-81	-31.6	-176.7	-71.3	176.7	-167.3	0	0	113.8	L65 I66 P71 R335	L65-E69 HydrophobicContact CD2-CG 4.49Å; L65-E69 WeakPolarHBondContact CD2-OE1 3.24Å; L65-E69 WeakPolarHBondContact CG-OE1 3.44Å; L65-E69 WeakPolarHBondContact O-CG 3.11Å; L65-E69 PolarHBondContact O-N 3.15Å; L65-E69 VanDerWaalsContact O-N 3.08Å; I66-E69 PolarHBondContact O-N 3.12Å; E69-P71 VanDerWaalsContact C-CD 3.4Å; E69-P71 WeakPolarHBondContact O-CD 3.44Å; E69-R335 IonicContact OE1-CZ 3.75Å; E69-R335 IonicContact OE1-NE 3.77Å; E69-R335 IonicContact OE1-NH1 3.89Å; E69-R335 PolarHBondContact OE1-NH1 2.93Å; E69-R335 IonicContact OE2-CZ 2.69Å; E69-R335 IonicContact OE2-NH1 3.83Å; E69-R335 PolarHBondContact OE2-NH1 2.84Å; E69-R335 IonicContact OE2-NH2 2.85Å
70	T	93.3	Very high	96.3	Very high	57 Å²	57	36.4 Å²	36.4	35%	0.35	20%	0.197	S	C	.	.	S	Bend	trans	-127	61.9	-175.1	55.9	0	0	0	0	111.7	I66 G72 K73	I66-T70 PolarHBondContact O-N 3.36Å; I66-T70 PolarHBondContact O-OG1 3.25Å; T70-G72 PolarHBondContact O-N 3.49Å; T70-K73 PolarHBondContact O-N 2.83Å
71	P	91.3	Very high	96.2	Very high	85 Å²	85	35.8 Å²	35.8	55%	0.552	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	139.7	179.9	26.9	-34.8	0	0	0	110.7	E69 K73	E69-P71 VanDerWaalsContact C-CD 3.4Å; E69-P71 WeakPolarHBondContact O-CD 3.44Å; P71-K73 VanDerWaalsContact C-N 3.28Å; P71-K73 PolarHBondContact O-N 3.14Å
72	G	92.2	Very high	96.2	Very high	53 Å²	53	32.2 Å²	32.2	55%	0.546	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	14.3	179.7	0	0	0	0	0	115.3	T70	T70-G72 PolarHBondContact O-N 3.49Å
73	K	95.6	Very high	96.2	Very high	132 Å²	132	32.2 Å²	32.2	57%	0.574	18%	0.181	S	C	*	.	S	Bend	trans	-104.8	154.2	171.8	-57.2	-58.6	-177.6	-177.4	0	111.6	T70 P71 V422	T70-K73 PolarHBondContact O-N 2.83Å; P71-K73 VanDerWaalsContact C-N 3.28Å; P71-K73 PolarHBondContact O-N 3.14Å; K73-V422 VanDerWaalsContact O-CG2 3.27Å; K73-V422 WeakPolarHBondContact O-CG2 3.47Å
74	N	96.9	Very high	96.2	Very high	33 Å²	33	32.3 Å²	32.3	18%	0.176	18%	0.182	C	C	.	.			trans	-60.4	143.3	165.9	-71.4	-11.5	0	0	0	109	K420 V422 D423 K426	N74-K420 WeakPolarHBondContact CA-O 3.35Å; N74-V422 WeakPolarHBondContact OD1-CA 3.31Å; N74-V422 PolarHBondContact OD1-N 3.4Å; N74-D423 PolarHBondContact ND2-O 3.3Å; N74-D423 PolarHBondContact OD1-N 3.4Å; N74-K426 PolarHBondContact ND2-O 3.39Å
75	I	97.5	Very high	96.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.8	176.4	-60.6	176.2	0	0	0	106.1	Y63 I66 A67 F77 G419 K420	Y63-I75 HydrophobicContact CD2-CG2 4.07Å; Y63-I75 HydrophobicContact CE2-CB 4.43Å; Y63-I75 HydrophobicContact CE2-CD1 4.24Å; Y63-I75 HydrophobicContact CE2-CG2 4.11Å; I66-I75 HydrophobicContact CB-CD1 4.47Å; I66-I75 HydrophobicContact CG2-CD1 3.92Å; I66-I75 HydrophobicContact CG2-CG1 3.93Å; I66-I75 HydrophobicContact CG2-CG2 4.02Å; A67-I75 HydrophobicContact CB-CD1 3.8Å; I75-F77 HydrophobicContact CG2-CD1 4.03Å; I75-F77 HydrophobicContact CG2-CE1 4.14Å; I75-G419 CarbonylContact O-C 3.56Å; I75-G419 WeakPolarHBondContact O-CA 3.49Å; I75-K420 HydrophobicContact CB-CB 4.18Å; I75-K420 PolarHBondContact N-O 2.9Å; I75-K420 PolarHBondContact O-N 2.67Å
76	F	96.5	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	115.4	173.8	-162.8	-106.1	0	0	0	111.8	I323 G325 Y327 A366 L368 F417	F76-I323 HydrophobicContact CB-CD1 3.92Å; F76-I323 HydrophobicContact CB-CG1 4.22Å; F76-I323 HydrophobicContact CD1-CD1 4.49Å; F76-I323 HydrophobicContact CD1-CG1 4.38Å; F76-I323 HydrophobicContact CD2-CD1 3.41Å; F76-I323 VanDerWaalsContact CD2-CD1 3.41Å; F76-I323 HydrophobicContact CD2-CG1 4.15Å; F76-I323 HydrophobicContact CE2-CD1 4.08Å; F76-I323 HydrophobicContact CG-CD1 3.67Å; F76-I323 HydrophobicContact CG-CG1 3.97Å; F76-G325 VanDerWaalsContact O-CA 3.29Å; F76-G325 WeakPolarHBondContact O-CA 3.38Å; F76-Y327 PolarHBondContact N-OH 2.87Å; F76-Y327 WeakPolarHBondContact O-CE2 3.35Å; F76-A366 HydrophobicContact CD1-CB 3.75Å; F76-A366 HydrophobicContact CE1-CB 3.96Å; F76-L368 HydrophobicContact CD1-CB 4.07Å; F76-L368 HydrophobicContact CE1-CB 3.35Å; F76-L368 HydrophobicContact CE2-CB 3.89Å; F76-L368 HydrophobicContact CE2-CD2 3.65Å; F76-L368 HydrophobicContact CE2-CG 4.39Å; F76-L368 HydrophobicContact CZ-CB 3.27Å; F76-L368 HydrophobicContact CZ-CD2 3.72Å; F76-L368 HydrophobicContact CZ-CG 4Å; F76-F417 HydrophobicContact CD1-CD1 4.36Å; F76-F417 HydrophobicContact CE1-CB 4.31Å; F76-F417 AromaticContact CE1-CD1 3.33Å; F76-F417 HydrophobicContact CE1-CD1 3.33Å; F76-F417 AromaticContact CE1-CE1 3.81Å; F76-F417 HydrophobicContact CE1-CE1 3.81Å; F76-F417 HydrophobicContact CE1-CG 4.05Å; F76-F417 HydrophobicContact CE2-CB 3.83Å; F76-F417 HydrophobicContact CE2-CD1 4.39Å; F76-F417 HydrophobicContact CE2-CG 4.4Å; F76-F417 HydrophobicContact CZ-CB 3.45Å; F76-F417 VanDerWaalsContact CZ-CB 3.45Å; F76-F417 AromaticContact CZ-CD1 3.34Å; F76-F417 HydrophobicContact CZ-CD1 3.34Å; F76-F417 HydrophobicContact CZ-CE1 4.14Å; F76-F417 AromaticContact CZ-CG 3.54Å; F76-F417 HydrophobicContact CZ-CG 3.54Å
77	F	97.3	Very high	96.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	171.4	179.5	67.4	-79.6	0	0	0	111.5	A59 F62 Y63 I75 P79 I82 Y327 F417 L418	A59-F77 WeakPolarHBondContact O-CZ 3.4Å; F62-F77 HydrophobicContact CB-CE2 4Å; F62-F77 HydrophobicContact CB-CZ 4.07Å; F62-F77 HydrophobicContact CD1-CD1 4.07Å; F62-F77 AromaticContact CD1-CD2 3.73Å; F62-F77 HydrophobicContact CD1-CD2 3.73Å; F62-F77 AromaticContact CD1-CE1 3.79Å; F62-F77 HydrophobicContact CD1-CE1 3.79Å; F62-F77 AromaticContact CD1-CE2 3.4Å; F62-F77 HydrophobicContact CD1-CE2 3.4Å; F62-F77 VanDerWaalsContact CD1-CE2 3.4Å; F62-F77 HydrophobicContact CD1-CG 4.05Å; F62-F77 AromaticContact CD1-CZ 3.46Å; F62-F77 HydrophobicContact CD1-CZ 3.46Å; F62-F77 VanDerWaalsContact CD1-CZ 3.46Å; F62-F77 HydrophobicContact CE1-CD1 4.16Å; F62-F77 AromaticContact CE1-CD2 3.96Å; F62-F77 HydrophobicContact CE1-CD2 3.96Å; F62-F77 HydrophobicContact CE1-CE1 4.34Å; F62-F77 HydrophobicContact CE1-CE2 4.12Å; F62-F77 AromaticContact CE1-CG 3.98Å; F62-F77 HydrophobicContact CE1-CG 3.98Å; F62-F77 HydrophobicContact CE1-CZ 4.33Å; F62-F77 HydrophobicContact CG-CD2 4.44Å; F62-F77 AromaticContact CG-CE2 3.9Å; F62-F77 HydrophobicContact CG-CE2 3.9Å; F62-F77 HydrophobicContact CG-CZ 4.14Å; Y63-F77 HydrophobicContact CD2-CE1 4.15Å; I75-F77 HydrophobicContact CG2-CD1 4.03Å; I75-F77 HydrophobicContact CG2-CE1 4.14Å; F77-P79 HydrophobicContact CD2-CG 4.05Å; F77-P79 HydrophobicContact CE2-CB 4.07Å; F77-P79 HydrophobicContact CE2-CG 3.55Å; F77-P79 HydrophobicContact CZ-CG 4.24Å; F77-I82 HydrophobicContact CD2-CD1 3.96Å; F77-Y327 HydrophobicContact CB-CD2 4.17Å; F77-Y327 HydrophobicContact CB-CE2 3.69Å; F77-F417 WeakPolarHBondContact O-CA 3.36Å; F77-L418 WeakPolarHBondContact CD1-O 3.45Å; F77-L418 HydrophobicContact CE1-CB 4.27Å; F77-L418 HydrophobicContact CE1-CG 4.32Å; F77-L418 HydrophobicContact CZ-CB 4.16Å; F77-L418 HydrophobicContact CZ-CD2 4.08Å; F77-L418 HydrophobicContact CZ-CG 4.28Å; F77-L418 PolarHBondContact N-O 3.22Å; F77-L418 VanDerWaalsContact N-O 3.11Å; F77-L418 PolarHBondContact O-N 2.7Å
78	S	97.5	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.			trans	-112.3	102.9	174	178.9	0	0	0	0	109	L80 S81 I82 I213 H364 L416	S78-L80 PolarHBondContact O-N 3.1Å; S78-S81 WeakPolarHBondContact CB-OG 3.26Å; S78-S81 PolarHBondContact O-N 3.25Å; S78-S81 PolarHBondContact O-OG 3.23Å; S78-S81 PolarHBondContact OG-N 3.2Å; S78-I82 WeakPolarHBondContact O-CG1 3.38Å; S78-I82 PolarHBondContact O-N 2.86Å; S78-I213 VanDerWaalsContact CB-CG2 3.45Å; S78-H364 PolarHBondContact N-NE2 3.13Å; S78-H364 VanDerWaalsContact N-NE2 3.17Å; S78-L416 VanDerWaalsContact CA-O 3.3Å; S78-L416 WeakPolarHBondContact CA-O 3.46Å; S78-L416 VanDerWaalsContact CB-O 3.24Å; S78-L416 WeakPolarHBondContact CB-O 3.46Å; S78-L416 PolarHBondContact OG-O 2.76Å
79	P	97.6	Very high	96.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-39.6	177	-19.9	27.8	0	0	0	111.8	A59 F77 I82 S83 V415 L418	A59-P79 HydrophobicContact CB-CB 3.36Å; A59-P79 HydrophobicContact CB-CG 3.34Å; F77-P79 HydrophobicContact CD2-CG 4.05Å; F77-P79 HydrophobicContact CE2-CB 4.07Å; F77-P79 HydrophobicContact CE2-CG 3.55Å; F77-P79 HydrophobicContact CZ-CG 4.24Å; P79-I82 PolarHBondContact O-N 3.12Å; P79-S83 WeakPolarHBondContact O-CB 3.21Å; P79-S83 PolarHBondContact O-N 3.46Å; P79-S83 PolarHBondContact O-OG 3Å; P79-V415 HydrophobicContact CG-CB 4.37Å; P79-V415 HydrophobicContact CG-CG1 3.95Å; P79-L418 HydrophobicContact CG-CB 4.07Å
80	L	96	Very high	96.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-47	-178.9	174.2	61.3	0	0	0	112.4	S78 I82 S83 A84 F121 L124 L128 V139 L416	S78-L80 PolarHBondContact O-N 3.1Å; L80-I82 VanDerWaalsContact C-N 3.3Å; L80-I82 PolarHBondContact O-N 2.88Å; L80-S83 PolarHBondContact O-N 2.94Å; L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 3.38Å; L80-F121 HydrophobicContact CD1-CE1 4.25Å; L80-L124 HydrophobicContact CD1-CD1 4.45Å; L80-L124 HydrophobicContact CD1-CD2 3.3Å; L80-L124 HydrophobicContact CD2-CD2 3.79Å; L80-L124 HydrophobicContact CG-CD2 4.12Å; L80-L128 HydrophobicContact CD2-CD1 3.33Å; L80-V139 HydrophobicContact CD2-CG2 3.94Å; L80-V139 HydrophobicContact CG-CG2 4.29Å; L80-L416 HydrophobicContact CD2-CD2 3.69Å
81	S	95.7	Very high	96.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	10%	0.1	C	C	.	.	H	α-helix	trans	-66.6	-35.6	-178.1	75.8	0	0	0	0	112	S78 A85 N211 H364	S78-S81 WeakPolarHBondContact CB-OG 3.26Å; S78-S81 PolarHBondContact O-N 3.25Å; S78-S81 PolarHBondContact O-OG 3.23Å; S78-S81 PolarHBondContact OG-N 3.2Å; S81-A85 VanDerWaalsContact O-CB 3.31Å; S81-A85 WeakPolarHBondContact O-CB 3.45Å; S81-A85 PolarHBondContact O-N 2.85Å; S81-N211 PolarHBondContact OG-ND2 2.72Å; S81-H364 PolarHBondContact OG-CE1 3.27Å
82	I	98	Very high	97	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-51.1	173.2	-61.9	170.7	0	0	0	109.2	F58 F62 F77 S78 P79 L80 A84 A85 Y86 N211 L329 H364	F58-I82 HydrophobicContact CE1-CB 4.11Å; F58-I82 HydrophobicContact CE1-CG2 3.71Å; F58-I82 HydrophobicContact CZ-CG2 3.72Å; F62-I82 HydrophobicContact CE1-CD1 4.48Å; F62-I82 HydrophobicContact CE2-CD1 4.18Å; F62-I82 HydrophobicContact CZ-CD1 4.11Å; F77-I82 HydrophobicContact CD2-CD1 3.96Å; S78-I82 WeakPolarHBondContact O-CG1 3.38Å; S78-I82 PolarHBondContact O-N 2.86Å; P79-I82 PolarHBondContact O-N 3.12Å; L80-I82 VanDerWaalsContact C-N 3.3Å; L80-I82 PolarHBondContact O-N 2.88Å; I82-A84 PolarHBondContact O-N 3.32Å; I82-A85 PolarHBondContact O-N 2.92Å; I82-Y86 HydrophobicContact CG2-CD2 4.09Å; I82-Y86 HydrophobicContact CG2-CE2 4.32Å; I82-Y86 VanDerWaalsContact O-CD2 3.32Å; I82-Y86 WeakPolarHBondContact O-CD2 3.25Å; I82-Y86 PolarHBondContact O-N 3.06Å; I82-N211 WeakPolarHBondContact CG1-ND2 3.41Å; I82-N211 PolarHBondContact N-ND2 3.07Å; I82-L329 HydrophobicContact CD1-CD2 4.15Å; I82-L329 HydrophobicContact CG1-CD1 4.2Å; I82-L329 HydrophobicContact CG2-CD1 4.11Å; I82-H364 HydrophobicContact CD1-CB 4.44Å; I82-H364 HydrophobicContact CG1-CB 4.22Å
83	S	98	Very high	97.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.7	-43.9	-177.9	-54	0	0	0	0	112.2	N55 F58 P79 L80 A85 Y86 A87	N55-S83 WeakPolarHBondContact OD1-CB 3.04Å; F58-S83 VanDerWaalsContact CD1-OG 3.26Å; F58-S83 WeakPolarHBondContact CD1-OG 3.41Å; P79-S83 WeakPolarHBondContact O-CB 3.21Å; P79-S83 PolarHBondContact O-N 3.46Å; P79-S83 PolarHBondContact O-OG 3Å; L80-S83 PolarHBondContact O-N 2.94Å; S83-A85 PolarHBondContact O-N 3.33Å; S83-Y86 PolarHBondContact O-N 3Å; S83-A87 VanDerWaalsContact O-CB 3.24Å; S83-A87 WeakPolarHBondContact O-CB 3.44Å; S83-A87 PolarHBondContact O-N 2.91Å
84	A	97.3	Very high	97.2	Very high	4 Å²	4	5.1 Å²	5.1	3%	0.033	3%	0.03	C	C	.	.	H	α-helix	trans	-63	-42.3	177.2	0	0	0	0	0	112.1	L80 I82 M88 F121 V139 Y163	L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 3.38Å; I82-A84 PolarHBondContact O-N 3.32Å; A84-M88 VanDerWaalsContact O-CB 3.29Å; A84-M88 WeakPolarHBondContact O-CB 3.45Å; A84-M88 PolarHBondContact O-N 2.98Å; A84-F121 HydrophobicContact CB-CD1 3.92Å; A84-F121 HydrophobicContact CB-CE1 3.97Å; A84-V139 HydrophobicContact CB-CG1 4.22Å; A84-Y163 WeakPolarHBondContact O-CE1 3.2Å
85	A	97.5	Very high	97	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.9	-37.7	179.9	0	0	0	0	0	112.7	S81 I82 S83 M88 L89 L209 N211	S81-A85 VanDerWaalsContact O-CB 3.31Å; S81-A85 WeakPolarHBondContact O-CB 3.45Å; S81-A85 PolarHBondContact O-N 2.85Å; I82-A85 PolarHBondContact O-N 2.92Å; S83-A85 PolarHBondContact O-N 3.33Å; A85-M88 WeakPolarHBondContact O-CB 3.26Å; A85-M88 PolarHBondContact O-N 3.09Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 2.63Å; A85-L209 HydrophobicContact CB-CD1 4.5Å; A85-L209 HydrophobicContact CB-CD2 4.32Å; A85-N211 HydrophobicContact CB-CB 3.59Å
86	Y	98.1	Very high	96.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-79.4	-34.1	178.4	-81.3	-102.2	0	0	0	112.3	I82 S83 M88 L89 S90 I101 L209 L329 L333 F338 L341 F342 S362	I82-Y86 HydrophobicContact CG2-CD2 4.09Å; I82-Y86 HydrophobicContact CG2-CE2 4.32Å; I82-Y86 VanDerWaalsContact O-CD2 3.32Å; I82-Y86 WeakPolarHBondContact O-CD2 3.25Å; I82-Y86 PolarHBondContact O-N 3.06Å; S83-Y86 PolarHBondContact O-N 3Å; Y86-M88 VanDerWaalsContact C-N 3.31Å; Y86-M88 PolarHBondContact O-N 3.21Å; Y86-L89 PolarHBondContact O-N 3.01Å; Y86-S90 PolarHBondContact O-N 3.43Å; Y86-I101 VanDerWaalsContact O-CG2 3.28Å; Y86-I101 WeakPolarHBondContact O-CG2 3.39Å; Y86-L209 HydrophobicContact CD2-CD2 4.24Å; Y86-L209 HydrophobicContact CE2-CD2 3.88Å; Y86-L329 HydrophobicContact CE2-CD1 3.71Å; Y86-L329 WeakPolarHBondContact OH-CB 3.44Å; Y86-L333 HydrophobicContact CD1-CD1 3.96Å; Y86-L333 HydrophobicContact CD2-CD1 4.23Å; Y86-L333 HydrophobicContact CE1-CD1 3.29Å; Y86-L333 HydrophobicContact CE2-CD1 3.65Å; Y86-L333 HydrophobicContact CG-CD1 4.38Å; Y86-L333 VanDerWaalsContact OH-CD1 3.29Å; Y86-L333 WeakPolarHBondContact OH-CD1 3.23Å; Y86-F338 AromaticContact CD1-CD1 3.91Å; Y86-F338 HydrophobicContact CD1-CD1 3.91Å; Y86-F338 AromaticContact CD1-CE1 3.79Å; Y86-F338 HydrophobicContact CD1-CE1 3.79Å; Y86-F338 HydrophobicContact CE1-CD1 4.3Å; Y86-F338 HydrophobicContact CG-CE1 4.32Å; Y86-L341 HydrophobicContact CD1-CD2 3.86Å; Y86-L341 HydrophobicContact CE1-CD2 3.6Å; Y86-F342 HydrophobicContact CE1-CE2 4.29Å; Y86-F342 AromaticContact CE1-CZ 3.86Å; Y86-F342 HydrophobicContact CE1-CZ 3.86Å; Y86-F342 WeakPolarHBondContact OH-CZ 3.48Å; Y86-S362 WeakPolarHBondContact OH-CB 3.33Å; Y86-S362 PolarHBondContact OH-OG 2.69Å
87	A	98	Very high	96.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.6	-41.1	168.1	0	0	0	0	0	111	S83 S90 L105 H118 F121 Y163	S83-A87 VanDerWaalsContact O-CB 3.24Å; S83-A87 WeakPolarHBondContact O-CB 3.44Å; S83-A87 PolarHBondContact O-N 2.91Å; A87-S90 WeakPolarHBondContact O-CB 3.36Å; A87-S90 PolarHBondContact O-N 3.24Å; A87-S90 PolarHBondContact O-OG 3.49Å; A87-L105 HydrophobicContact CB-CD1 4.15Å; A87-H118 PolarHBondContact O-CE1 3.37Å; A87-F121 HydrophobicContact CB-CD2 3.59Å; A87-F121 HydrophobicContact CB-CE2 3.34Å; A87-F121 HydrophobicContact CB-CG 4.37Å; A87-F121 HydrophobicContact CB-CZ 3.96Å; A87-Y163 HydrophobicContact CB-CE1 4.17Å; A87-Y163 WeakPolarHBondContact CB-OH 3.06Å
88	M	97.6	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.7	-48	171.2	-178.7	-81.7	-70.3	0	0	111.7	A84 A85 Y86 S90 L91 F155 T159 Y163 A165 L209	A84-M88 VanDerWaalsContact O-CB 3.29Å; A84-M88 WeakPolarHBondContact O-CB 3.45Å; A84-M88 PolarHBondContact O-N 2.98Å; A85-M88 WeakPolarHBondContact O-CB 3.26Å; A85-M88 PolarHBondContact O-N 3.09Å; Y86-M88 VanDerWaalsContact C-N 3.31Å; Y86-M88 PolarHBondContact O-N 3.21Å; M88-S90 PolarHBondContact O-N 3.32Å; M88-L91 WeakPolarHBondContact O-CB 3.27Å; M88-L91 PolarHBondContact O-N 2.91Å; M88-F155 HydrophobicContact SD-CZ 4.2Å; M88-T159 HydrophobicContact CG-CG2 3.71Å; M88-T159 HydrophobicContact SD-CG2 3.49Å; M88-T159 WeakPolarHBondContact SD-CG2 3.46Å; M88-Y163 HydrophobicContact CB-CD1 3.8Å; M88-Y163 HydrophobicContact CB-CD2 3.7Å; M88-Y163 HydrophobicContact CB-CE1 4.1Å; M88-Y163 HydrophobicContact CB-CE2 4.02Å; M88-Y163 HydrophobicContact CB-CG 3.6Å; M88-Y163 HydrophobicContact CG-CD1 4.46Å; M88-Y163 HydrophobicContact CG-CD2 3.79Å; M88-Y163 HydrophobicContact CG-CE2 4.49Å; M88-Y163 HydrophobicContact CG-CG 3.79Å; M88-A165 HydrophobicContact CE-CB 4.26Å; M88-A165 HydrophobicContact CG-CB 4.12Å; M88-A165 HydrophobicContact SD-CB 4.3Å; M88-L209 HydrophobicContact CE-CD1 3.81Å
89	L	97.3	Very high	96.8	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-32.9	179.3	-173	65.3	0	0	0	112.4	A85 Y86 L91 G92 A93 L143 M207 L209 L341 I351	A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 2.63Å; Y86-L89 PolarHBondContact O-N 3.01Å; L89-L91 PolarHBondContact O-N 3.24Å; L89-G92 PolarHBondContact O-N 2.93Å; L89-A93 PolarHBondContact O-N 3.19Å; L89-L143 HydrophobicContact CD1-CD1 3.73Å; L89-M207 HydrophobicContact CD1-CE 4.07Å; L89-L209 HydrophobicContact CB-CD2 4.48Å; L89-L209 HydrophobicContact CD2-CD2 4.1Å; L89-L341 HydrophobicContact CD2-CD1 4.03Å; L89-L341 HydrophobicContact CD2-CD2 3.87Å; L89-I351 HydrophobicContact CD1-CD1 3.76Å
90	S	97.6	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-25.4	179.3	80.8	0	0	0	0	113.4	Y86 A87 M88 G92 A93 R98 H118	Y86-S90 PolarHBondContact O-N 3.43Å; A87-S90 WeakPolarHBondContact O-CB 3.36Å; A87-S90 PolarHBondContact O-N 3.24Å; A87-S90 PolarHBondContact O-OG 3.49Å; M88-S90 PolarHBondContact O-N 3.32Å; S90-G92 PolarHBondContact O-N 2.87Å; S90-A93 PolarHBondContact O-N 3.19Å; S90-A93 VanDerWaalsContact O-N 3.09Å; S90-R98 WeakPolarHBondContact O-CG 3.41Å; S90-R98 PolarHBondContact O-NE 3.44Å; S90-R98 VanDerWaalsContact O-NE 3.14Å; S90-H118 PolarHBondContact OG-CE1 2.98Å
91	L	97.4	Very high	96.9	Very high	35 Å²	35	19.3 Å²	19.3	18%	0.183	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28	172.3	-67.9	169.7	0	0	0	112.6	M88 L89 H118 F155 D158 T159 Y163	M88-L91 WeakPolarHBondContact O-CB 3.27Å; M88-L91 PolarHBondContact O-N 2.91Å; L89-L91 PolarHBondContact O-N 3.24Å; L91-H118 WeakPolarHBondContact CD2-NE2 3.3Å; L91-F155 HydrophobicContact CB-CD2 4.34Å; L91-F155 HydrophobicContact CB-CE2 4.36Å; L91-D158 HydrophobicContact CD1-CB 4.02Å; L91-T159 HydrophobicContact CD1-CG2 3.99Å; L91-Y163 HydrophobicContact CD1-CD2 4.11Å; L91-Y163 HydrophobicContact CD1-CE2 3.8Å
92	G	96.6	Very high	97	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.1	177.3	0	0	0	0	0	113.9	L89 S90 F155 L348 G350 I351	L89-G92 PolarHBondContact O-N 2.93Å; S90-G92 PolarHBondContact O-N 2.87Å; G92-F155 VanDerWaalsContact CA-CD2 3.43Å; G92-F155 VanDerWaalsContact CA-CE2 3.46Å; G92-L348 CarbonylContact O-C 3.49Å; G92-L348 VanDerWaalsContact O-C 3.31Å; G92-L348 WeakPolarHBondContact O-CA 3.47Å; G92-G350 CarbonylContact O-C 3.59Å; G92-G350 WeakPolarHBondContact O-CA 3.16Å; G92-G350 PolarHBondContact O-N 3Å; G92-I351 PolarHBondContact O-N 3.49Å
93	A	96.3	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.			trans	-84.4	154.5	174.3	0	0	0	0	0	110.8	L89 S90 R98 I101 D347 L348	L89-A93 PolarHBondContact O-N 3.19Å; S90-A93 PolarHBondContact O-N 3.19Å; S90-A93 VanDerWaalsContact O-N 3.09Å; A93-R98 HydrophobicContact CB-CB 3.97Å; A93-R98 PolarHBondContact O-NE 2.89Å; A93-R98 PolarHBondContact O-NH2 3.06Å; A93-I101 HydrophobicContact CB-CD1 3.74Å; A93-D347 CarbonylContact C-O 3.58Å; A93-D347 VanDerWaalsContact CA-O 3.26Å; A93-D347 WeakPolarHBondContact CA-O 3.39Å; A93-L348 HydrophobicContact CB-CD2 3.9Å
94	C	95.6	Very high	96.9	Very high	28 Å²	28	24.8 Å²	24.8	19%	0.189	13%	0.134	C	C	.	.			trans	-123.2	150.3	179.4	-77	0	0	0	0	111.7	H96 S97 R98 D347	C94-H96 PolarHBondContact O-N 2.92Å; C94-H96 VanDerWaalsContact O-N 3.17Å; C94-S97 PolarHBondContact O-N 3.11Å; C94-S97 VanDerWaalsContact O-N 3.12Å; C94-R98 PolarHBondContact O-N 2.9Å; C94-D347 HydrophobicContact CB-CB 4.34Å; C94-D347 VanDerWaalsContact CB-OD2 3.23Å; C94-D347 WeakPolarHBondContact CB-OD2 3.39Å; C94-D347 PolarHBondContact N-O 3.28Å
95	S	93.9	Very high	97	Very high	92 Å²	92	24.6 Å²	24.6	64%	0.643	13%	0.132	S	C	*	.	H	α-helix	trans	50.2	-116.3	170.8	-50.5	0	0	0	0	113.3	R98 S99	S95-R98 PolarHBondContact O-N 3.05Å; S95-S99 PolarHBondContact O-N 3.16Å; S95-S99 PolarHBondContact O-OG 2.91Å; S95-S99 VanDerWaalsContact O-OG 3.04Å
96	H	95.1	Very high	97	Very high	122 Å²	122	25.9 Å²	25.9	57%	0.565	15%	0.145	S	C	*	.	H	α-helix	trans	-64.7	-42.1	-177.5	-179.4	-96.7	0	0	0	112.6	C94 R98 S99 Q100 D340	C94-H96 PolarHBondContact O-N 2.92Å; C94-H96 VanDerWaalsContact O-N 3.17Å; H96-R98 VanDerWaalsContact C-N 3.29Å; H96-R98 PolarHBondContact O-N 3.11Å; H96-S99 PolarHBondContact O-N 2.78Å; H96-Q100 WeakPolarHBondContact O-CB 3.34Å; H96-Q100 PolarHBondContact O-N 2.93Å; H96-D340 IonicContact ND1-OD2 3.77Å
97	S	95.5	Very high	96.9	Very high	3 Å²	3	26 Å²	26	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-39.4	-179.7	-52.6	0	0	0	0	111.7	C94 I101 D340 D347	C94-S97 PolarHBondContact O-N 3.11Å; C94-S97 VanDerWaalsContact O-N 3.12Å; S97-I101 WeakPolarHBondContact O-CD1 3.44Å; S97-I101 VanDerWaalsContact O-CG1 3.26Å; S97-I101 WeakPolarHBondContact O-CG1 3.31Å; S97-I101 PolarHBondContact O-N 2.78Å; S97-D340 VanDerWaalsContact CA-OD2 3.28Å; S97-D340 WeakPolarHBondContact CA-OD2 3.39Å; S97-D340 WeakPolarHBondContact CB-OD2 3.33Å; S97-D340 PolarHBondContact OG-OD2 2.86Å; S97-D347 PolarHBondContact OG-N 2.95Å
98	R	97.2	Very high	96.9	Very high	58 Å²	58	29.8 Å²	29.8	22%	0.219	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-49.5	175.6	-175.6	-178.1	-56.4	164.8	7.6	111.4	S90 A93 C94 S95 H96 Q100 I101 L102 E114	S90-R98 WeakPolarHBondContact O-CG 3.41Å; S90-R98 PolarHBondContact O-NE 3.44Å; S90-R98 VanDerWaalsContact O-NE 3.14Å; A93-R98 HydrophobicContact CB-CB 3.97Å; A93-R98 PolarHBondContact O-NE 2.89Å; A93-R98 PolarHBondContact O-NH2 3.06Å; C94-R98 PolarHBondContact O-N 2.9Å; S95-R98 PolarHBondContact O-N 3.05Å; H96-R98 VanDerWaalsContact C-N 3.29Å; H96-R98 PolarHBondContact O-N 3.11Å; R98-Q100 VanDerWaalsContact C-N 3.3Å; R98-Q100 PolarHBondContact O-N 3.04Å; R98-I101 PolarHBondContact O-N 2.71Å; R98-L102 HydrophobicContact CG-CD1 4.4Å; R98-L102 PolarHBondContact O-N 3.43Å; R98-E114 VanDerWaalsContact CD-OE1 3.24Å; R98-E114 WeakPolarHBondContact CD-OE1 3.08Å; R98-E114 WeakPolarHBondContact CD-OE2 3.44Å; R98-E114 IonicContact CZ-OE2 3.43Å; R98-E114 IonicContact NE-OE2 3.71Å; R98-E114 IonicContact NH1-OE1 3.21Å; R98-E114 IonicContact NH1-OE2 2.75Å; R98-E114 PolarHBondContact NH1-OE2 2.97Å
99	S	97	Very high	96.8	Very high	37 Å²	37	31.9 Å²	31.9	26%	0.259	18%	0.177	S	C	.	.	H	α-helix	trans	-59.3	-44.8	-177.7	-55.6	0	0	0	0	110.8	S95 H96 I101 L102 E103	S95-S99 PolarHBondContact O-N 3.16Å; S95-S99 PolarHBondContact O-OG 2.91Å; S95-S99 VanDerWaalsContact O-OG 3.04Å; H96-S99 PolarHBondContact O-N 2.78Å; S99-I101 VanDerWaalsContact C-N 3.34Å; S99-I101 PolarHBondContact O-N 2.57Å; S99-L102 PolarHBondContact O-N 3.41Å; S99-E103 WeakPolarHBondContact O-CB 3.43Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 2.92Å
100	Q	96.8	Very high	96.7	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-39.7	178.2	-170.6	-168.7	89.8	0	0	113	H96 R98 L102 G104 G337 T339 D340	H96-Q100 WeakPolarHBondContact O-CB 3.34Å; H96-Q100 PolarHBondContact O-N 2.93Å; R98-Q100 VanDerWaalsContact C-N 3.3Å; R98-Q100 PolarHBondContact O-N 3.04Å; Q100-L102 VanDerWaalsContact C-N 3.35Å; Q100-G104 PolarHBondContact O-N 2.95Å; Q100-G337 WeakPolarHBondContact CG-O 3.43Å; Q100-G337 PolarHBondContact OE1-O 2.77Å; Q100-G337 VanDerWaalsContact OE1-O 3.12Å; Q100-T339 PolarHBondContact NE2-OG1 3.38Å; Q100-D340 VanDerWaalsContact CD-CB 3.49Å; Q100-D340 VanDerWaalsContact OE1-CB 3.28Å
101	I	97.6	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-48.1	177	-69	164.7	0	0	0	110.2	Y86 A93 S97 R98 S99 G104 L105 F338 L341	Y86-I101 VanDerWaalsContact O-CG2 3.28Å; Y86-I101 WeakPolarHBondContact O-CG2 3.39Å; A93-I101 HydrophobicContact CB-CD1 3.74Å; S97-I101 WeakPolarHBondContact O-CD1 3.44Å; S97-I101 VanDerWaalsContact O-CG1 3.26Å; S97-I101 WeakPolarHBondContact O-CG1 3.31Å; S97-I101 PolarHBondContact O-N 2.78Å; R98-I101 PolarHBondContact O-N 2.71Å; S99-I101 VanDerWaalsContact C-N 3.34Å; S99-I101 PolarHBondContact O-N 2.57Å; I101-G104 PolarHBondContact O-N 2.95Å; I101-L105 HydrophobicContact CG2-CD1 4.46Å; I101-L105 WeakPolarHBondContact O-CG 3.35Å; I101-L105 PolarHBondContact O-N 3.4Å; I101-L105 VanDerWaalsContact O-N 3.09Å; I101-F338 HydrophobicContact CB-CE1 4.45Å; I101-F338 HydrophobicContact CG1-CD1 4.46Å; I101-F338 HydrophobicContact CG2-CE1 4.09Å; I101-F338 WeakPolarHBondContact O-CE1 3.33Å; I101-L341 HydrophobicContact CD1-CD1 3.98Å; I101-L341 HydrophobicContact CD1-CD2 4.13Å; I101-L341 HydrophobicContact CG1-CB 4.49Å; I101-L341 HydrophobicContact CG1-CD2 4.02Å
102	L	98.2	Very high	96.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.8	-42	-176.6	-61.5	-179.1	0	0	0	111.8	R98 S99 Q100 G104 L105 G106 F107 L109 E114 V117	R98-L102 HydrophobicContact CG-CD1 4.4Å; R98-L102 PolarHBondContact O-N 3.43Å; S99-L102 PolarHBondContact O-N 3.41Å; Q100-L102 VanDerWaalsContact C-N 3.35Å; L102-G104 VanDerWaalsContact C-N 3.35Å; L102-L105 WeakPolarHBondContact O-CB 3.36Å; L102-L105 PolarHBondContact O-N 3.14Å; L102-G106 PolarHBondContact O-N 2.68Å; L102-F107 HydrophobicContact CB-CB 4.41Å; L102-F107 HydrophobicContact CB-CD2 4.32Å; L102-F107 HydrophobicContact CD2-CD2 4.34Å; L102-F107 WeakPolarHBondContact O-CB 3.29Å; L102-F107 WeakPolarHBondContact O-CD2 3.44Å; L102-F107 PolarHBondContact O-N 3.39Å; L102-L109 HydrophobicContact CB-CD1 4.3Å; L102-L109 HydrophobicContact CB-CD2 3.92Å; L102-L109 HydrophobicContact CB-CG 4.45Å; L102-L109 HydrophobicContact CD1-CD2 3.84Å; L102-E114 HydrophobicContact CD1-CG 3.9Å; L102-V117 HydrophobicContact CD2-CG1 4.17Å
103	E	97.6	Very high	96.5	Very high	111 Å²	111	47.1 Å²	47.1	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-39.9	174.2	-70.7	175.4	163.3	0	0	111.8	S99 L105 G106 L109	S99-E103 WeakPolarHBondContact O-CB 3.43Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 2.92Å; E103-L105 VanDerWaalsContact C-N 3.28Å; E103-L105 PolarHBondContact O-N 3.43Å; E103-G106 WeakPolarHBondContact O-CA 3.28Å; E103-G106 PolarHBondContact O-N 3.36Å; E103-L109 HydrophobicContact CG-CD1 4.11Å; E103-L109 HydrophobicContact CG-CG 4.27Å
104	G	97.3	Very high	96.5	Very high	5 Å²	5	50.4 Å²	50.4	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-39.3	174	0	0	0	0	0	112.4	R61 Q100 I101 L102 G106 F338	R61-G104 PolarHBondContact NH1-O 3.42Å; R61-G104 PolarHBondContact NH2-O 3.43Å; Q100-G104 PolarHBondContact O-N 2.95Å; I101-G104 PolarHBondContact O-N 2.95Å; L102-G104 VanDerWaalsContact C-N 3.35Å; G104-G106 PolarHBondContact O-N 3.42Å; G104-F338 VanDerWaalsContact C-CE2 3.49Å; G104-F338 VanDerWaalsContact C-CZ 3.48Å
105	L	98.1	Very high	96.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4	172	-68.7	177	0	0	0	114	F58 A87 I101 L102 E103 F107 F338	F58-L105 HydrophobicContact CD1-CD2 4.4Å; F58-L105 HydrophobicContact CD2-CD2 4.12Å; F58-L105 HydrophobicContact CE1-CD2 4.37Å; F58-L105 HydrophobicContact CE2-CD2 4.08Å; F58-L105 HydrophobicContact CG-CD2 4.28Å; F58-L105 HydrophobicContact CZ-CD2 4.21Å; A87-L105 HydrophobicContact CB-CD1 4.15Å; I101-L105 HydrophobicContact CG2-CD1 4.46Å; I101-L105 WeakPolarHBondContact O-CG 3.35Å; I101-L105 PolarHBondContact O-N 3.4Å; I101-L105 VanDerWaalsContact O-N 3.09Å; L102-L105 WeakPolarHBondContact O-CB 3.36Å; L102-L105 PolarHBondContact O-N 3.14Å; E103-L105 VanDerWaalsContact C-N 3.28Å; E103-L105 PolarHBondContact O-N 3.43Å; L105-F107 HydrophobicContact CB-CD2 3.79Å; L105-F107 HydrophobicContact CB-CE2 3.71Å; L105-F107 HydrophobicContact CD1-CE2 4.08Å; L105-F338 HydrophobicContact CD2-CE1 4.4Å; L105-F338 HydrophobicContact CD2-CZ 3.81Å; L105-F338 HydrophobicContact CG-CE1 4.23Å; L105-F338 HydrophobicContact CG-CZ 3.84Å
106	G	97.4	Very high	96.6	Very high	26 Å²	26	49.1 Å²	49.1	27%	0.268	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	8.5	177.1	0	0	0	0	0	114.6	A54 L102 E103 G104	A54-G106 WeakPolarHBondContact CB-O 3.42Å; L102-G106 PolarHBondContact O-N 2.68Å; E103-G106 WeakPolarHBondContact O-CA 3.28Å; E103-G106 PolarHBondContact O-N 3.36Å; G104-G106 PolarHBondContact O-N 3.42Å
107	F	97.8	Very high	96.8	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	24%	0.24	C	C	.	.			trans	-80.8	123.2	177	-61	-66.7	0	0	0	111.2	I51 A54 L102 L105 L109 L112 V117 F121	I51-F107 HydrophobicContact CB-CE1 3.66Å; I51-F107 HydrophobicContact CB-CZ 4.12Å; I51-F107 HydrophobicContact CG2-CE1 3.68Å; I51-F107 HydrophobicContact CG2-CZ 4.25Å; A54-F107 HydrophobicContact CB-CD1 3.47Å; A54-F107 VanDerWaalsContact CB-CD1 3.47Å; A54-F107 HydrophobicContact CB-CE1 3.44Å; A54-F107 VanDerWaalsContact CB-CE1 3.44Å; A54-F107 HydrophobicContact CB-CG 4.18Å; A54-F107 HydrophobicContact CB-CZ 4.12Å; L102-F107 HydrophobicContact CB-CB 4.41Å; L102-F107 HydrophobicContact CB-CD2 4.32Å; L102-F107 HydrophobicContact CD2-CD2 4.34Å; L102-F107 WeakPolarHBondContact O-CB 3.29Å; L102-F107 WeakPolarHBondContact O-CD2 3.44Å; L102-F107 PolarHBondContact O-N 3.39Å; L105-F107 HydrophobicContact CB-CD2 3.79Å; L105-F107 HydrophobicContact CB-CE2 3.71Å; L105-F107 HydrophobicContact CD1-CE2 4.08Å; F107-L109 HydrophobicContact CB-CD2 4.48Å; F107-L109 PolarHBondContact O-N 3.12Å; F107-L112 HydrophobicContact CD1-CD1 4.26Å; F107-V117 HydrophobicContact CB-CG2 4.24Å; F107-V117 HydrophobicContact CD1-CG1 4.45Å; F107-V117 HydrophobicContact CD1-CG2 3.81Å; F107-V117 HydrophobicContact CD2-CG1 3.94Å; F107-V117 HydrophobicContact CD2-CG2 4.2Å; F107-V117 HydrophobicContact CE1-CG1 4.2Å; F107-V117 HydrophobicContact CE1-CG2 4.24Å; F107-V117 HydrophobicContact CE2-CG1 3.67Å; F107-V117 HydrophobicContact CG-CG1 4.34Å; F107-V117 HydrophobicContact CG-CG2 3.81Å; F107-V117 HydrophobicContact CZ-CG1 3.82Å; F107-F121 AromaticContact CE2-CE2 3.9Å; F107-F121 HydrophobicContact CE2-CE2 3.9Å; F107-F121 HydrophobicContact CE2-CZ 4.32Å; F107-F121 AromaticContact CZ-CE2 3.65Å; F107-F121 HydrophobicContact CZ-CE2 3.65Å; F107-F121 AromaticContact CZ-CZ 3.99Å; F107-F121 HydrophobicContact CZ-CZ 3.99Å
108	N	96.7	Very high	96.9	Very high	79 Å²	79	44 Å²	44	42%	0.422	24%	0.243	S	C	.	.			trans	-81.7	103.4	169.3	-178.4	0.4	0	0	0	109.8	T110 E111 L112	N108-T110 PolarHBondContact ND2-OG1 3.49Å; N108-T110 PolarHBondContact O-N 2.84Å; N108-T110 VanDerWaalsContact O-N 3.14Å; N108-T110 PolarHBondContact OD1-N 3.44Å; N108-T110 VanDerWaalsContact OD1-N 3.11Å; N108-T110 PolarHBondContact OD1-OG1 3.24Å; N108-E111 HydrophobicContact CB-CB 4.23Å; N108-E111 PolarHBondContact O-N 3.44Å; N108-L112 PolarHBondContact O-N 3.44Å
109	L	95.7	Very high	96.9	Very high	45 Å²	45	47 Å²	47	24%	0.236	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.9	-176.6	-60.7	179.3	0	0	0	114.3	L102 E103 F107 L112	L102-L109 HydrophobicContact CB-CD1 4.3Å; L102-L109 HydrophobicContact CB-CD2 3.92Å; L102-L109 HydrophobicContact CB-CG 4.45Å; L102-L109 HydrophobicContact CD1-CD2 3.84Å; E103-L109 HydrophobicContact CG-CD1 4.11Å; E103-L109 HydrophobicContact CG-CG 4.27Å; F107-L109 HydrophobicContact CB-CD2 4.48Å; F107-L109 PolarHBondContact O-N 3.12Å; L109-L112 WeakPolarHBondContact CA-O 3.41Å
110	T	95.6	Very high	96.9	Very high	130 Å²	130	45.3 Å²	45.3	80%	0.798	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-19.9	169.4	66.5	0	0	0	0	112.9	N108	N108-T110 PolarHBondContact ND2-OG1 3.49Å; N108-T110 PolarHBondContact O-N 2.84Å; N108-T110 VanDerWaalsContact O-N 3.14Å; N108-T110 PolarHBondContact OD1-N 3.44Å; N108-T110 VanDerWaalsContact OD1-N 3.11Å; N108-T110 PolarHBondContact OD1-OG1 3.24Å
111	E	94.9	Very high	96.9	Very high	151 Å²	151	44.2 Å²	44.2	71%	0.706	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-40.1	-179.2	-174.1	-173.7	162.9	0	0	111.9	N108	N108-E111 HydrophobicContact CB-CB 4.23Å; N108-E111 PolarHBondContact O-N 3.44Å
112	L	95.4	Very high	96.8	Very high	25 Å²	25	48.3 Å²	48.3	13%	0.131	26%	0.256	C	S	.	.	S	Bend	trans	-116.3	132.3	-179.7	-66.8	175.4	0	0	0	110.8	K50 F107 N108 L109 D116	K50-L112 HydrophobicContact CB-CD2 4.2Å; K50-L112 HydrophobicContact CD-CD2 4.34Å; F107-L112 HydrophobicContact CD1-CD1 4.26Å; N108-L112 PolarHBondContact O-N 3.44Å; L109-L112 WeakPolarHBondContact CA-O 3.41Å; L112-D116 HydrophobicContact CD2-CB 4.38Å
113	S	96.6	Very high	96.7	Very high	53 Å²	53	51.8 Å²	51.8	37%	0.371	27%	0.272	S	S	.	.			trans	-74.3	156.8	172.9	72.5	0	0	0	0	111.5	S115 D116 V117	S113-S115 PolarHBondContact O-N 3.3Å; S113-D116 WeakPolarHBondContact CB-OD2 3.49Å; S113-D116 PolarHBondContact N-OD2 2.87Å; S113-D116 WeakPolarHBondContact O-CB 3.41Å; S113-D116 PolarHBondContact O-N 3.41Å; S113-D116 PolarHBondContact OG-N 3.01Å; S113-D116 VanDerWaalsContact OG-N 3.15Å; S113-D116 PolarHBondContact OG-OD2 3.45Å; S113-V117 PolarHBondContact O-N 3.28Å
114	E	96	Very high	96.6	Very high	68 Å²	68	46.5 Å²	46.5	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-53.7	-37.6	171.7	-63.8	-175.6	-172.7	0	0	111.4	R98 L102 D116 V117 H118	R98-E114 VanDerWaalsContact CD-OE1 3.24Å; R98-E114 WeakPolarHBondContact CD-OE1 3.08Å; R98-E114 WeakPolarHBondContact CD-OE2 3.44Å; R98-E114 IonicContact CZ-OE2 3.43Å; R98-E114 IonicContact NE-OE2 3.71Å; R98-E114 IonicContact NH1-OE1 3.21Å; R98-E114 IonicContact NH1-OE2 2.75Å; R98-E114 PolarHBondContact NH1-OE2 2.97Å; L102-E114 HydrophobicContact CD1-CG 3.9Å; E114-D116 VanDerWaalsContact C-N 3.35Å; E114-D116 PolarHBondContact O-N 2.91Å; E114-V117 PolarHBondContact O-N 3.22Å; E114-H118 PolarHBondContact O-CD2 3.24Å; E114-H118 PolarHBondContact O-N 3.49Å; E114-H118 VanDerWaalsContact O-N 3.07Å
115	S	96.2	Very high	96.4	Very high	65 Å²	65	46.6 Å²	46.6	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-37.7	177.6	-172.3	0	0	0	0	112.5	S113 V117 R119	S113-S115 PolarHBondContact O-N 3.3Å; S115-V117 VanDerWaalsContact C-N 3.34Å; S115-R119 VanDerWaalsContact O-CB 3.31Å; S115-R119 WeakPolarHBondContact O-CB 3.4Å; S115-R119 VanDerWaalsContact O-CG 3.29Å; S115-R119 WeakPolarHBondContact O-CG 3.15Å; S115-R119 PolarHBondContact O-N 3.36Å
116	D	96.9	Very high	96.2	Very high	28 Å²	28	52 Å²	52	15%	0.15	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-40.2	175.8	-64.3	-45.3	0	0	0	111.5	L112 S113 E114 R119 G120	L112-D116 HydrophobicContact CD2-CB 4.38Å; S113-D116 WeakPolarHBondContact CB-OD2 3.49Å; S113-D116 PolarHBondContact N-OD2 2.87Å; S113-D116 WeakPolarHBondContact O-CB 3.41Å; S113-D116 PolarHBondContact O-N 3.41Å; S113-D116 PolarHBondContact OG-N 3.01Å; S113-D116 VanDerWaalsContact OG-N 3.15Å; S113-D116 PolarHBondContact OG-OD2 3.45Å; E114-D116 VanDerWaalsContact C-N 3.35Å; E114-D116 PolarHBondContact O-N 2.91Å; D116-R119 IonicContact OD1-CZ 3.6Å; D116-R119 IonicContact OD1-NH2 2.87Å; D116-R119 PolarHBondContact OD1-NH2 3.43Å; D116-G120 PolarHBondContact O-N 3.32Å
117	V	97.8	Very high	96	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-53.1	176.5	178.1	0	0	0	0	110.5	L102 F107 S113 E114 S115 G120 F121	L102-V117 HydrophobicContact CD2-CG1 4.17Å; F107-V117 HydrophobicContact CB-CG2 4.24Å; F107-V117 HydrophobicContact CD1-CG1 4.45Å; F107-V117 HydrophobicContact CD1-CG2 3.81Å; F107-V117 HydrophobicContact CD2-CG1 3.94Å; F107-V117 HydrophobicContact CD2-CG2 4.2Å; F107-V117 HydrophobicContact CE1-CG1 4.2Å; F107-V117 HydrophobicContact CE1-CG2 4.24Å; F107-V117 HydrophobicContact CE2-CG1 3.67Å; F107-V117 HydrophobicContact CG-CG1 4.34Å; F107-V117 HydrophobicContact CG-CG2 3.81Å; F107-V117 HydrophobicContact CZ-CG1 3.82Å; S113-V117 PolarHBondContact O-N 3.28Å; E114-V117 PolarHBondContact O-N 3.22Å; S115-V117 VanDerWaalsContact C-N 3.34Å; V117-G120 PolarHBondContact O-N 3.1Å; V117-F121 HydrophobicContact CG1-CD2 3.89Å; V117-F121 HydrophobicContact CG1-CE2 3.78Å; V117-F121 VanDerWaalsContact O-CD2 3.29Å; V117-F121 WeakPolarHBondContact O-CD2 3.29Å; V117-F121 PolarHBondContact O-N 2.99Å
118	H	97.9	Very high	95.6	Very high	19 Å²	19	52.6 Å²	52.6	9%	0.088	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-41.7	-177.3	-63.2	-53.6	0	0	0	112.9	A87 S90 L91 E114 G120 F121 Q122 V162 Y163	A87-H118 PolarHBondContact O-CE1 3.37Å; S90-H118 PolarHBondContact OG-CE1 2.98Å; L91-H118 WeakPolarHBondContact CD2-NE2 3.3Å; E114-H118 PolarHBondContact O-CD2 3.24Å; E114-H118 PolarHBondContact O-N 3.49Å; E114-H118 VanDerWaalsContact O-N 3.07Å; H118-G120 VanDerWaalsContact C-N 3.29Å; H118-G120 PolarHBondContact O-N 3.38Å; H118-F121 PolarHBondContact O-N 3.45Å; H118-Q122 PolarHBondContact O-N 3.47Å; H118-V162 HydrophobicContact CB-CG1 4.44Å; H118-Y163 AromaticContact ND1-CE2 3.91Å; H118-Y163 AromaticContact ND1-CZ 3.81Å; H118-Y163 PolarHBondContact ND1-OH 3.11Å
119	R	96.9	Very high	95.2	Very high	121 Å²	121	51 Å²	51	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-37.9	173.5	-73.5	-172.6	-62.5	176.8	2.3	111.7	S115 D116 Q122 H123	S115-R119 VanDerWaalsContact O-CB 3.31Å; S115-R119 WeakPolarHBondContact O-CB 3.4Å; S115-R119 VanDerWaalsContact O-CG 3.29Å; S115-R119 WeakPolarHBondContact O-CG 3.15Å; S115-R119 PolarHBondContact O-N 3.36Å; D116-R119 IonicContact OD1-CZ 3.6Å; D116-R119 IonicContact OD1-NH2 2.87Å; D116-R119 PolarHBondContact OD1-NH2 3.43Å; R119-Q122 PolarHBondContact O-N 3.11Å; R119-H123 WeakPolarHBondContact O-CB 3.42Å; R119-H123 PolarHBondContact O-N 3.45Å
120	G	97.1	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-47.6	174.3	0	0	0	0	0	112	P47 D116 V117 H118 L124	P47-G120 WeakPolarHBondContact O-CA 3.41Å; D116-G120 PolarHBondContact O-N 3.32Å; V117-G120 PolarHBondContact O-N 3.1Å; H118-G120 VanDerWaalsContact C-N 3.29Å; H118-G120 PolarHBondContact O-N 3.38Å; G120-L124 WeakPolarHBondContact O-CB 3.45Å; G120-L124 PolarHBondContact O-N 3.33Å
121	F	97.3	Very high	94	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-40.8	176.5	-82.2	-71.5	0	0	0	112.4	I51 N55 L80 A84 A87 F107 V117 H118 H123 L124 L125 Y163	I51-F121 HydrophobicContact CD1-CB 4.44Å; I51-F121 HydrophobicContact CD1-CD1 3.96Å; I51-F121 HydrophobicContact CD1-CD2 3.95Å; I51-F121 HydrophobicContact CD1-CE1 4.14Å; I51-F121 HydrophobicContact CD1-CE2 4.14Å; I51-F121 HydrophobicContact CD1-CG 3.85Å; I51-F121 HydrophobicContact CD1-CZ 4.23Å; N55-F121 WeakPolarHBondContact OD1-CZ 3.23Å; L80-F121 HydrophobicContact CD1-CE1 4.25Å; A84-F121 HydrophobicContact CB-CD1 3.92Å; A84-F121 HydrophobicContact CB-CE1 3.97Å; A87-F121 HydrophobicContact CB-CD2 3.59Å; A87-F121 HydrophobicContact CB-CE2 3.34Å; A87-F121 HydrophobicContact CB-CG 4.37Å; A87-F121 HydrophobicContact CB-CZ 3.96Å; F107-F121 AromaticContact CE2-CE2 3.9Å; F107-F121 HydrophobicContact CE2-CE2 3.9Å; F107-F121 HydrophobicContact CE2-CZ 4.32Å; F107-F121 AromaticContact CZ-CE2 3.65Å; F107-F121 HydrophobicContact CZ-CE2 3.65Å; F107-F121 AromaticContact CZ-CZ 3.99Å; F107-F121 HydrophobicContact CZ-CZ 3.99Å; V117-F121 HydrophobicContact CG1-CD2 3.89Å; V117-F121 HydrophobicContact CG1-CE2 3.78Å; V117-F121 VanDerWaalsContact O-CD2 3.29Å; V117-F121 WeakPolarHBondContact O-CD2 3.29Å; V117-F121 PolarHBondContact O-N 2.99Å; H118-F121 PolarHBondContact O-N 3.45Å; F121-H123 PolarHBondContact O-N 3.2Å; F121-L124 PolarHBondContact O-N 2.96Å; F121-L125 WeakPolarHBondContact O-CB 3.12Å; F121-L125 VanDerWaalsContact O-CG 3.26Å; F121-L125 WeakPolarHBondContact O-CG 3.12Å; F121-L125 PolarHBondContact O-N 3.21Å; F121-Y163 HydrophobicContact CB-CD1 4.43Å; F121-Y163 HydrophobicContact CB-CE1 3.53Å; F121-Y163 HydrophobicContact CD1-CE1 4.4Å; F121-Y163 HydrophobicContact CD2-CE1 4.33Å; F121-Y163 AromaticContact CG-CE1 3.86Å; F121-Y163 HydrophobicContact CG-CE1 3.86Å
122	Q	96.4	Very high	93.1	Very high	86 Å²	86	47.9 Å²	47.9	40%	0.402	26%	0.26	S	S	.	.	H	α-helix	trans	-57.6	-51.2	176.8	-164.1	176.5	25.1	0	0	111.5	H118 R119 L124 L125 H126 A161 V162	H118-Q122 PolarHBondContact O-N 3.47Å; R119-Q122 PolarHBondContact O-N 3.11Å; Q122-L124 VanDerWaalsContact C-N 3.33Å; Q122-L124 PolarHBondContact O-N 3.21Å; Q122-L125 PolarHBondContact O-N 3.12Å; Q122-H126 WeakPolarHBondContact O-CB 3.48Å; Q122-H126 PolarHBondContact O-N 2.94Å; Q122-A161 PolarHBondContact NE2-O 3.32Å; Q122-V162 HydrophobicContact CB-CG1 3.95Å; Q122-V162 HydrophobicContact CG-CG1 4.34Å
123	H	95.5	Very high	92.2	Very high	73 Å²	73	54.9 Å²	54.9	34%	0.338	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-42.1	178.8	-176.8	-88.6	0	0	0	111.4	S46 P47 S48 R119 F121 T127	S46-H123 PolarHBondContact OG-CE1 3.06Å; P47-H123 HydrophobicContact CB-CB 4.15Å; P47-H123 HydrophobicContact CG-CB 4.49Å; S48-H123 PolarHBondContact OG-ND1 3.28Å; R119-H123 WeakPolarHBondContact O-CB 3.42Å; R119-H123 PolarHBondContact O-N 3.45Å; F121-H123 PolarHBondContact O-N 3.2Å; H123-T127 WeakPolarHBondContact O-CB 3.35Å; H123-T127 PolarHBondContact O-N 3.46Å; H123-T127 PolarHBondContact O-OG1 2.68Å
124	L	95.4	Very high	91.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-47.2	179.6	-178.2	134.6	0	0	0	112.1	I51 L80 G120 F121 Q122 T127 L128 T412	I51-L124 HydrophobicContact CD1-CD1 4.47Å; L80-L124 HydrophobicContact CD1-CD1 4.45Å; L80-L124 HydrophobicContact CD1-CD2 3.3Å; L80-L124 HydrophobicContact CD2-CD2 3.79Å; L80-L124 HydrophobicContact CG-CD2 4.12Å; G120-L124 WeakPolarHBondContact O-CB 3.45Å; G120-L124 PolarHBondContact O-N 3.33Å; F121-L124 PolarHBondContact O-N 2.96Å; Q122-L124 VanDerWaalsContact C-N 3.33Å; Q122-L124 PolarHBondContact O-N 3.21Å; L124-T127 PolarHBondContact O-N 3.31Å; L124-L128 HydrophobicContact CD2-CD1 3.83Å; L124-L128 HydrophobicContact CG-CD1 4.3Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 3.28Å; L124-T412 HydrophobicContact CD1-CG2 4.32Å; L124-T412 HydrophobicContact CG-CG2 4.13Å
125	L	93.9	Very high	90.9	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-42.5	178.2	-68.6	175.1	0	0	0	111.4	F121 Q122 T127 L128 N129 V139 Y163	F121-L125 WeakPolarHBondContact O-CB 3.12Å; F121-L125 VanDerWaalsContact O-CG 3.26Å; F121-L125 WeakPolarHBondContact O-CG 3.12Å; F121-L125 PolarHBondContact O-N 3.21Å; Q122-L125 PolarHBondContact O-N 3.12Å; L125-T127 VanDerWaalsContact C-N 3.33Å; L125-T127 PolarHBondContact O-N 3.09Å; L125-L128 PolarHBondContact O-N 3.26Å; L125-N129 WeakPolarHBondContact O-CB 3.46Å; L125-N129 VanDerWaalsContact O-CG 3.31Å; L125-N129 PolarHBondContact O-N 3.11Å; L125-N129 PolarHBondContact O-ND2 3.46Å; L125-V139 HydrophobicContact CD2-CB 3.7Å; L125-V139 HydrophobicContact CD2-CG1 3.89Å; L125-V139 HydrophobicContact CD2-CG2 4.37Å; L125-Y163 HydrophobicContact CD1-CD1 3.79Å; L125-Y163 HydrophobicContact CD1-CG 4.46Å
126	H	92.7	Very high	90.6	Very high	113 Å²	113	51.1 Å²	51.1	52%	0.523	27%	0.269	S	S	.	.	H	α-helix	trans	-57	-47.7	174.1	-177.5	70.1	0	0	0	111.4	Q122 L128 N129 L130	Q122-H126 WeakPolarHBondContact O-CB 3.48Å; Q122-H126 PolarHBondContact O-N 2.94Å; H126-L128 VanDerWaalsContact C-N 3.34Å; H126-L128 PolarHBondContact O-N 2.9Å; H126-N129 PolarHBondContact O-N 2.89Å; H126-L130 WeakPolarHBondContact O-CG 3.24Å; H126-L130 PolarHBondContact O-N 3.38Å
127	T	92.5	Very high	90.2	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-41.9	179.4	-56.1	0	0	0	0	112.1	H123 L124 L125 L130 T412	H123-T127 WeakPolarHBondContact O-CB 3.35Å; H123-T127 PolarHBondContact O-N 3.46Å; H123-T127 PolarHBondContact O-OG1 2.68Å; L124-T127 PolarHBondContact O-N 3.31Å; L125-T127 VanDerWaalsContact C-N 3.33Å; L125-T127 PolarHBondContact O-N 3.09Å; T127-L130 PolarHBondContact O-N 2.75Å; T127-T412 HydrophobicContact CG2-CG2 3.71Å
128	L	91.3	Very high	89.8	Confident	9 Å²	9	54.5 Å²	54.5	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-71.7	-28.9	179	-68.8	172.6	0	0	0	113.1	L80 L124 L125 H126 L130 T137 V139 T412 L416	L80-L128 HydrophobicContact CD2-CD1 3.33Å; L124-L128 HydrophobicContact CD2-CD1 3.83Å; L124-L128 HydrophobicContact CG-CD1 4.3Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 3.28Å; L125-L128 PolarHBondContact O-N 3.26Å; H126-L128 VanDerWaalsContact C-N 3.34Å; H126-L128 PolarHBondContact O-N 2.9Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-T137 CarbonylContact C-O 3.48Å; L128-T137 PolarHBondContact O-OG1 2.73Å; L128-V139 HydrophobicContact CD1-CG2 4.49Å; L128-T412 HydrophobicContact CD2-CG2 4.36Å; L128-T412 HydrophobicContact CG-CG2 4.33Å; L128-L416 HydrophobicContact CD1-CD2 4.14Å; L128-L416 HydrophobicContact CD2-CD2 4.03Å
129	N	87.4	Confident	89.5	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-81.1	-7.1	178.6	-74.6	-19.4	0	0	0	113.2	L125 H126 T137 E164	L125-N129 WeakPolarHBondContact O-CB 3.46Å; L125-N129 VanDerWaalsContact O-CG 3.31Å; L125-N129 PolarHBondContact O-N 3.11Å; L125-N129 PolarHBondContact O-ND2 3.46Å; H126-N129 PolarHBondContact O-N 2.89Å; N129-T137 PolarHBondContact OD1-O 3.5Å; N129-E164 PolarHBondContact ND2-OE1 3.4Å; N129-E164 VanDerWaalsContact ND2-OE1 3.13Å; N129-E164 PolarHBondContact ND2-OE2 3.23Å
130	L	86.9	Confident	89.2	Confident	95 Å²	95	49.2 Å²	49.2	50%	0.497	27%	0.266	S	S	.	.	S	Bend	trans	-63.5	137.5	175.8	-68.6	175.5	0	0	0	110.7	H126 T127 L128 G132	H126-L130 WeakPolarHBondContact O-CG 3.24Å; H126-L130 PolarHBondContact O-N 3.38Å; T127-L130 PolarHBondContact O-N 2.75Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L130-G132 PolarHBondContact O-N 2.88Å
131	P	79.8	Confident	89.1	Confident	132 Å²	132	49.6 Å²	49.6	86%	0.857	27%	0.269	S	S	*	.			trans	-57.7	113.5	176.2	-24	33.5	0	0	0	111.7
132	G	74.4	Confident	89.1	Confident	33 Å²	33	49.6 Å²	49.6	34%	0.34	27%	0.269	S	S	.	.			trans	-96.5	152	176.2	0	0	0	0	0	112.4	L130 G134 L135	L130-G132 PolarHBondContact O-N 2.88Å; G132-G134 VanDerWaalsContact C-N 3.31Å; G132-G134 PolarHBondContact O-N 3.07Å; G132-L135 WeakPolarHBondContact CA-O 3.49Å; G132-L135 PolarHBondContact N-O 3.49Å
133	H	76.4	Confident	89.1	Confident	171 Å²	171	45.5 Å²	45.5	79%	0.792	25%	0.25	S	C	*	.	S	Bend	trans	-68.2	84.6	174.5	-72.3	83.8	0	0	0	111	L135 K271	H133-L135 VanDerWaalsContact C-N 3.32Å; H133-K271 VanDerWaalsContact O-CB 3.27Å; H133-K271 WeakPolarHBondContact O-CB 3.47Å
134	G	77	Confident	89.2	Confident	30 Å²	30	42.1 Å²	42.1	31%	0.309	23%	0.234	S	C	.	.	S	Bend	trans	78.1	15.4	-177.8	0	0	0	0	0	114.5	G132 A217 L218	G132-G134 VanDerWaalsContact C-N 3.31Å; G132-G134 PolarHBondContact O-N 3.07Å; G134-A217 WeakPolarHBondContact O-CA 3.33Å; G134-L218 PolarHBondContact O-N 3.2Å
135	L	88.4	Confident	89.3	Confident	16 Å²	16	42.1 Å²	42.1	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123	171.8	177.5	64.9	0	0	0	109	G132 H133 T137 F215 K216 A217 A274	G132-L135 WeakPolarHBondContact CA-O 3.49Å; G132-L135 PolarHBondContact N-O 3.49Å; H133-L135 VanDerWaalsContact C-N 3.32Å; L135-T137 HydrophobicContact CD1-CG2 3.81Å; L135-T137 HydrophobicContact CG-CG2 4.17Å; L135-F215 HydrophobicContact CD1-CD2 4.44Å; L135-F215 HydrophobicContact CD1-CE2 3.66Å; L135-F215 HydrophobicContact CD1-CZ 3.98Å; L135-K216 CarbonylContact C-O 3.58Å; L135-K216 WeakPolarHBondContact CA-O 2.96Å; L135-A217 HydrophobicContact CD1-CB 3.65Å; L135-A274 HydrophobicContact CD1-CB 3.92Å; L135-A274 HydrophobicContact CD2-CB 3.77Å
136	E	90.5	Very high	89.5	Confident	61 Å²	61	42.2 Å²	42.2	29%	0.285	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.1	169.5	-63.3	-175.7	-112	0	0	108.5	R191 Y214 F215 K216	E136-R191 VanDerWaalsContact CD-NH1 3.31Å; E136-R191 IonicContact OE1-NH1 3.66Å; E136-R191 PolarHBondContact OE1-NH1 3.28Å; E136-R191 VanDerWaalsContact OE1-NH1 3.09Å; E136-R191 IonicContact OE2-CZ 2.8Å; E136-R191 IonicContact OE2-NH1 2.68Å; E136-R191 PolarHBondContact OE2-NH1 3.34Å; E136-R191 IonicContact OE2-NH2 2.72Å; E136-R191 PolarHBondContact OE2-NH2 3.43Å; E136-Y214 HydrophobicContact CB-CD1 4.48Å; E136-Y214 HydrophobicContact CB-CE1 4.03Å; E136-F215 WeakPolarHBondContact O-CA 3.38Å; E136-K216 HydrophobicContact CB-CB 4.34Å; E136-K216 PolarHBondContact N-O 3.38Å; E136-K216 PolarHBondContact O-N 2.85Å
137	T	89.6	Confident	89.6	Confident	7 Å²	7	41 Å²	41	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	105.6	176.5	45.7	0	0	0	0	109.4	L128 N129 L135 Y214 F215 L416	L128-T137 CarbonylContact C-O 3.48Å; L128-T137 PolarHBondContact O-OG1 2.73Å; N129-T137 PolarHBondContact OD1-O 3.5Å; L135-T137 HydrophobicContact CD1-CG2 3.81Å; L135-T137 HydrophobicContact CG-CG2 4.17Å; T137-Y214 WeakPolarHBondContact CA-O 3.27Å; T137-F215 HydrophobicContact CG2-CD2 3.39Å; T137-F215 HydrophobicContact CG2-CE2 3.54Å; T137-L416 HydrophobicContact CG2-CD1 4.04Å
138	R	88.3	Confident	89.7	Confident	92 Å²	92	44.2 Å²	44.2	35%	0.347	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.8	176	-72.2	177.6	66.6	-136.1	-2.4	109.9	E189 I213 Y214	R138-E189 IonicContact CZ-OE2 3.74Å; R138-E189 PolarHBondContact NH1-O 3.37Å; R138-E189 IonicContact NH1-OE2 2.87Å; R138-E189 IonicContact NH2-OE2 3.11Å; R138-E189 PolarHBondContact NH2-OE2 3.33Å; R138-I213 CarbonylContact O-C 3.56Å; R138-I213 WeakPolarHBondContact O-CA 3.45Å; R138-Y214 PolarHBondContact N-O 3.49Å; R138-Y214 PolarHBondContact O-N 3.16Å
139	V	91.6	Very high	90	Very high	17 Å²	17	44 Å²	44	10%	0.103	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.1	170.7	175.2	0	0	0	0	107.9	L80 A84 L125 L128 I213	L80-V139 HydrophobicContact CD2-CG2 3.94Å; L80-V139 HydrophobicContact CG-CG2 4.29Å; A84-V139 HydrophobicContact CB-CG1 4.22Å; L125-V139 HydrophobicContact CD2-CB 3.7Å; L125-V139 HydrophobicContact CD2-CG1 3.89Å; L125-V139 HydrophobicContact CD2-CG2 4.37Å; L128-V139 HydrophobicContact CD1-CG2 4.49Å; V139-I213 HydrophobicContact CG2-CB 4.49Å; V139-I213 HydrophobicContact CG2-CD1 3.83Å; V139-I213 HydrophobicContact CG2-CG1 4.07Å
140	G	90.3	Very high	90.5	Very high	13 Å²	13	49 Å²	49	13%	0.134	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.5	-179.1	0	0	0	0	0	112.4	N211 Y212	G140-N211 WeakPolarHBondContact O-CA 3.42Å; G140-Y212 PolarHBondContact N-O 3.34Å; G140-Y212 PolarHBondContact O-N 2.56Å
141	S	95	Very high	91	Very high	8 Å²	8	45.5 Å²	45.5	6%	0.056	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.5	173.3	60.3	0	0	0	0	110.1	A165 K166 V210	S141-A165 WeakPolarHBondContact O-CA 3.26Å; S141-K166 PolarHBondContact O-N 3.42Å; S141-K166 VanDerWaalsContact O-N 3.09Å; S141-V210 CarbonylContact C-O 3.59Å; S141-V210 WeakPolarHBondContact CA-O 3.17Å
142	A	97.1	Very high	91.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.4	173.8	0	0	0	0	0	111.5	F144 K166 F168 H185 V210	A142-F144 HydrophobicContact CB-CE2 3.85Å; A142-F144 HydrophobicContact CB-CZ 4.32Å; A142-K166 CarbonylContact C-O 3.54Å; A142-K166 WeakPolarHBondContact CA-O 3.29Å; A142-K166 HydrophobicContact CB-CB 4.06Å; A142-K166 WeakPolarHBondContact CB-O 3.37Å; A142-F168 HydrophobicContact CB-CD2 4.49Å; A142-F168 HydrophobicContact CB-CE2 4.18Å; A142-H185 WeakPolarHBondContact CB-NE2 3.31Å; A142-V210 HydrophobicContact CB-CG2 3.82Å; A142-V210 PolarHBondContact N-O 3.08Å; A142-V210 PolarHBondContact O-N 2.89Å
143	L	97.8	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125	179.1	-172	164	0	0	0	109.3	L89 L145 F151 F155 K166 L167 F168 M207 V208 L209 I351	L89-L143 HydrophobicContact CD1-CD1 3.73Å; L143-L145 HydrophobicContact CD2-CB 4.23Å; L143-F151 HydrophobicContact CD2-CE1 3.7Å; L143-F151 HydrophobicContact CD2-CZ 3.71Å; L143-F155 HydrophobicContact CD1-CE1 4.35Å; L143-F155 HydrophobicContact CD1-CZ 4.17Å; L143-K166 PolarHBondContact N-O 3.46Å; L143-L167 HydrophobicContact CB-CD2 3.57Å; L143-L167 HydrophobicContact CD2-CD2 4.5Å; L143-L167 HydrophobicContact CG-CD2 4.46Å; L143-L167 WeakPolarHBondContact O-CA 3.23Å; L143-F168 PolarHBondContact O-N 2.87Å; L143-M207 HydrophobicContact CD1-CG 4.38Å; L143-M207 HydrophobicContact CD1-SD 3.76Å; L143-M207 HydrophobicContact CD2-CG 3.63Å; L143-M207 HydrophobicContact CD2-SD 3.77Å; L143-M207 HydrophobicContact CG-CG 3.9Å; L143-M207 HydrophobicContact CG-SD 3.94Å; L143-V208 WeakPolarHBondContact CA-O 3.4Å; L143-L209 HydrophobicContact CB-CD1 4.35Å; L143-I351 HydrophobicContact CD1-CD1 4.46Å
144	F	97.9	Very high	94	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.5	-179.2	-61	-99.2	0	0	0	107.9	A142 F168 T170 F172 L181 I182 H185 M207 V208 V210	A142-F144 HydrophobicContact CB-CE2 3.85Å; A142-F144 HydrophobicContact CB-CZ 4.32Å; F144-F168 WeakPolarHBondContact CA-O 3.34Å; F144-F168 HydrophobicContact CD1-CB 3.66Å; F144-F168 AromaticContact CD1-CD2 3.95Å; F144-F168 HydrophobicContact CD1-CD2 3.95Å; F144-F168 HydrophobicContact CD1-CG 4.13Å; F144-F168 HydrophobicContact CE1-CB 3.93Å; F144-F168 AromaticContact CE1-CD2 3.46Å; F144-F168 HydrophobicContact CE1-CD2 3.46Å; F144-F168 VanDerWaalsContact CE1-CD2 3.46Å; F144-F168 HydrophobicContact CE1-CE2 4.19Å; F144-F168 AromaticContact CE1-CG 3.87Å; F144-F168 HydrophobicContact CE1-CG 3.87Å; F144-F168 HydrophobicContact CE2-CD2 4.32Å; F144-F168 HydrophobicContact CG-CB 4.41Å; F144-F168 AromaticContact CZ-CD2 3.67Å; F144-F168 HydrophobicContact CZ-CD2 3.67Å; F144-F168 HydrophobicContact CZ-CE2 4.07Å; F144-T170 HydrophobicContact CB-CG2 4.2Å; F144-F172 HydrophobicContact CB-CZ 4.29Å; F144-L181 HydrophobicContact CD1-CD2 4.08Å; F144-L181 HydrophobicContact CE1-CD2 4.05Å; F144-L181 HydrophobicContact CE1-CG 4.14Å; F144-I182 HydrophobicContact CD1-CG1 3.8Å; F144-I182 HydrophobicContact CD2-CD1 4.36Å; F144-I182 HydrophobicContact CD2-CG1 3.81Å; F144-I182 HydrophobicContact CE1-CG1 3.8Å; F144-I182 HydrophobicContact CE2-CB 4.34Å; F144-I182 HydrophobicContact CE2-CG1 3.81Å; F144-I182 HydrophobicContact CE2-CG2 4.13Å; F144-I182 HydrophobicContact CG-CD1 4.32Å; F144-I182 HydrophobicContact CG-CG1 3.82Å; F144-I182 HydrophobicContact CZ-CB 4.22Å; F144-I182 HydrophobicContact CZ-CG1 3.81Å; F144-I182 HydrophobicContact CZ-CG2 4.39Å; F144-H185 HydrophobicContact CZ-CB 4.14Å; F144-M207 CarbonylContact O-C 3.48Å; F144-M207 VanDerWaalsContact O-CA 3.29Å; F144-M207 WeakPolarHBondContact O-CA 3.16Å; F144-V208 HydrophobicContact CB-CB 4.39Å; F144-V208 PolarHBondContact N-O 3.02Å; F144-V208 PolarHBondContact O-N 3.4Å; F144-V210 HydrophobicContact CE2-CG2 3.79Å
145	L	97.6	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146	-178.3	-173.8	68	0	0	0	110.3	L143 H147 L149 F151 F168 H169 T170 M207 I351 L357	L143-L145 HydrophobicContact CD2-CB 4.23Å; L145-H147 PolarHBondContact O-N 3.37Å; L145-L149 HydrophobicContact CD1-CB 4.4Å; L145-L149 HydrophobicContact CD1-CD1 4.17Å; L145-L149 HydrophobicContact CD2-CB 3.94Å; L145-L149 HydrophobicContact CG-CB 4.05Å; L145-F151 HydrophobicContact CB-CE1 3.9Å; L145-F151 HydrophobicContact CB-CE2 3.78Å; L145-F151 HydrophobicContact CB-CZ 3.32Å; L145-F151 HydrophobicContact CD2-CD1 3.76Å; L145-F151 HydrophobicContact CD2-CD2 4.13Å; L145-F151 HydrophobicContact CD2-CE1 3.62Å; L145-F151 HydrophobicContact CD2-CE2 3.99Å; L145-F151 HydrophobicContact CD2-CG 4.02Å; L145-F151 HydrophobicContact CD2-CZ 3.75Å; L145-F151 HydrophobicContact CG-CE1 4.3Å; L145-F151 HydrophobicContact CG-CZ 4.14Å; L145-F168 PolarHBondContact N-O 2.85Å; L145-H169 CarbonylContact O-C 3.57Å; L145-H169 VanDerWaalsContact O-CA 3.28Å; L145-H169 WeakPolarHBondContact O-CA 3.46Å; L145-T170 PolarHBondContact O-N 2.78Å; L145-M207 HydrophobicContact CD1-CB 4.36Å; L145-M207 HydrophobicContact CD1-CG 4.4Å; L145-I351 HydrophobicContact CD2-CG2 4.48Å; L145-L357 HydrophobicContact CD1-CD1 4.24Å; L145-L357 HydrophobicContact CD1-CD2 3.79Å
146	S	96.9	Very high	95.4	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.063	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	131.1	174.8	-174.8	0	0	0	0	110.5	N148 L149 T170 L206	S146-N148 PolarHBondContact O-N 3.41Å; S146-L149 PolarHBondContact O-N 2.95Å; S146-T170 CarbonylContact C-O 3.53Å; S146-T170 WeakPolarHBondContact CA-O 3.44Å; S146-L206 PolarHBondContact N-O 3.25Å
147	H	95.9	Very high	95.7	Very high	87 Å²	87	45.7 Å²	45.7	40%	0.403	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.6	-174.3	68.1	-78.5	0	0	0	114.7	L145 L149 H169 T170 N171	L145-H147 PolarHBondContact O-N 3.37Å; H147-L149 VanDerWaalsContact C-N 3.26Å; H147-H169 HydrophobicContact CB-CB 4.24Å; H147-T170 PolarHBondContact N-O 3.03Å; H147-T170 PolarHBondContact ND1-O 3.45Å; H147-N171 PolarHBondContact CE1-OD1 2.93Å
148	N	94.6	Very high	96	Very high	100 Å²	100	47 Å²	47	54%	0.535	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.9	176.5	-64.5	-47.1	0	0	0	113.3	S146	S146-N148 PolarHBondContact O-N 3.41Å
149	L	96.6	Very high	96.4	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	23%	0.225	C	C	.	.	S	Bend	trans	-108.5	133.5	180	-55.8	177.3	0	0	0	109.2	L145 S146 H147 H169 T352 Q354 Q355 L357	L145-L149 HydrophobicContact CD1-CB 4.4Å; L145-L149 HydrophobicContact CD1-CD1 4.17Å; L145-L149 HydrophobicContact CD2-CB 3.94Å; L145-L149 HydrophobicContact CG-CB 4.05Å; S146-L149 PolarHBondContact O-N 2.95Å; H147-L149 VanDerWaalsContact C-N 3.26Å; L149-H169 PolarHBondContact O-CE1 2.98Å; L149-H169 PolarHBondContact O-ND1 2.93Å; L149-T352 HydrophobicContact CD1-CG2 4.47Å; L149-Q354 HydrophobicContact CD2-CB 3.93Å; L149-Q355 HydrophobicContact CD1-CB 4.37Å; L149-Q355 HydrophobicContact CD2-CB 3.66Å; L149-L357 HydrophobicContact CD1-CD2 3.67Å
150	K	97.4	Very high	96.5	Very high	150 Å²	150	47 Å²	47	65%	0.652	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-95.2	135.6	178.6	-62.3	-178	-180	-178.3	0	109.5	T352	K150-T352 VanDerWaalsContact O-CB 3.25Å; K150-T352 WeakPolarHBondContact O-CB 3.4Å; K150-T352 PolarHBondContact O-OG1 3.25Å
151	F	97.8	Very high	96.7	Very high	23 Å²	23	49.3 Å²	49.3	10%	0.101	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-67.9	143.3	167	-72	-71.5	0	0	0	111	L143 L145 F155 L156 L167 H169 I351	L143-F151 HydrophobicContact CD2-CE1 3.7Å; L143-F151 HydrophobicContact CD2-CZ 3.71Å; L145-F151 HydrophobicContact CB-CE1 3.9Å; L145-F151 HydrophobicContact CB-CE2 3.78Å; L145-F151 HydrophobicContact CB-CZ 3.32Å; L145-F151 HydrophobicContact CD2-CD1 3.76Å; L145-F151 HydrophobicContact CD2-CD2 4.13Å; L145-F151 HydrophobicContact CD2-CE1 3.62Å; L145-F151 HydrophobicContact CD2-CE2 3.99Å; L145-F151 HydrophobicContact CD2-CG 4.02Å; L145-F151 HydrophobicContact CD2-CZ 3.75Å; L145-F151 HydrophobicContact CG-CE1 4.3Å; L145-F151 HydrophobicContact CG-CZ 4.14Å; F151-F155 AromaticContact CD1-CD1 3.91Å; F151-F155 HydrophobicContact CD1-CD1 3.91Å; F151-F155 HydrophobicContact CD1-CE1 4.18Å; F151-F155 HydrophobicContact CE1-CD1 4.31Å; F151-F155 HydrophobicContact CE1-CE1 4.11Å; F151-L156 HydrophobicContact CB-CD1 4.05Å; F151-L156 HydrophobicContact CB-CD2 3.46Å; F151-L156 VanDerWaalsContact CB-CD2 3.46Å; F151-L156 HydrophobicContact CB-CG 3.66Å; F151-L156 HydrophobicContact CD1-CD2 4.24Å; F151-L156 HydrophobicContact CD2-CD2 3.8Å; F151-L156 HydrophobicContact CG-CD2 3.59Å; F151-L156 HydrophobicContact CG-CG 4.34Å; F151-L167 HydrophobicContact CE1-CD2 4.44Å; F151-L167 HydrophobicContact CE2-CB 4.07Å; F151-L167 HydrophobicContact CZ-CB 4.06Å; F151-L167 HydrophobicContact CZ-CD2 4.38Å; F151-H169 AromaticContact CD2-CE1 3.5Å; F151-H169 AromaticContact CD2-NE2 3.59Å; F151-H169 AromaticContact CE2-CE1 3.67Å; F151-H169 AromaticContact CE2-NE2 3.97Å; F151-I351 CarbonylContact C-O 3.58Å; F151-I351 WeakPolarHBondContact CA-O 3.22Å; F151-I351 HydrophobicContact CD1-CG2 3.79Å; F151-I351 HydrophobicContact CE1-CG2 3.83Å
152	L	98.1	Very high	96.7	Very high	53 Å²	53	50.3 Å²	50.3	28%	0.277	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-72.3	137	165.6	-61.2	-169.7	0	0	0	110.3	K154 F155 L156 S349 G350 I351 K353	L152-K154 PolarHBondContact O-N 3.25Å; L152-F155 PolarHBondContact O-N 3.49Å; L152-L156 PolarHBondContact O-N 2.77Å; L152-L156 VanDerWaalsContact O-N 3.11Å; L152-S349 WeakPolarHBondContact CD1-O 3.31Å; L152-G350 WeakPolarHBondContact CD1-O 3.3Å; L152-I351 PolarHBondContact N-O 2.94Å; L152-K353 HydrophobicContact CD1-CG 4.15Å; L152-K353 HydrophobicContact CD2-CG 4.28Å
153	A	97.9	Very high	96.7	Very high	79 Å²	79	50.6 Å²	50.6	65%	0.653	27%	0.27	S	S	*	.	H	α-helix	trans	-57	-36.6	-178.9	0	0	0	0	0	113	L156 N157	A153-L156 PolarHBondContact O-N 2.94Å; A153-N157 WeakPolarHBondContact O-CB 3.29Å; A153-N157 PolarHBondContact O-N 3.08Å
154	K	97.3	Very high	96.5	Very high	147 Å²	147	55.4 Å²	55.4	64%	0.639	29%	0.292	S	S	*	.	H	α-helix	trans	-60.8	-46.9	175.9	179.5	165.9	173.4	51.8	0	111.8	L152 N157 D158	L152-K154 PolarHBondContact O-N 3.25Å; K154-N157 PolarHBondContact O-N 3.4Å; K154-D158 WeakPolarHBondContact CE-OD2 3.29Å; K154-D158 VanDerWaalsContact CG-OD2 3.31Å; K154-D158 WeakPolarHBondContact CG-OD2 3.46Å; K154-D158 IonicContact NZ-OD1 3.93Å; K154-D158 IonicContact NZ-OD2 3.7Å; K154-D158 PolarHBondContact NZ-OD2 2.99Å; K154-D158 WeakPolarHBondContact O-CB 3.38Å; K154-D158 PolarHBondContact O-N 3.36Å
155	F	97.8	Very high	96.3	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-42.9	179	-177.6	-103.5	0	0	0	112	M88 L91 G92 L143 F151 L152 N157 T159 L167 G350 I351	M88-F155 HydrophobicContact SD-CZ 4.2Å; L91-F155 HydrophobicContact CB-CD2 4.34Å; L91-F155 HydrophobicContact CB-CE2 4.36Å; G92-F155 VanDerWaalsContact CA-CD2 3.43Å; G92-F155 VanDerWaalsContact CA-CE2 3.46Å; L143-F155 HydrophobicContact CD1-CE1 4.35Å; L143-F155 HydrophobicContact CD1-CZ 4.17Å; F151-F155 AromaticContact CD1-CD1 3.91Å; F151-F155 HydrophobicContact CD1-CD1 3.91Å; F151-F155 HydrophobicContact CD1-CE1 4.18Å; F151-F155 HydrophobicContact CE1-CD1 4.31Å; F151-F155 HydrophobicContact CE1-CE1 4.11Å; L152-F155 PolarHBondContact O-N 3.49Å; F155-N157 PolarHBondContact O-N 2.86Å; F155-T159 HydrophobicContact CD1-CG2 4.45Å; F155-T159 HydrophobicContact CD2-CG2 3.86Å; F155-T159 HydrophobicContact CE1-CG2 4.19Å; F155-T159 HydrophobicContact CE2-CG2 3.54Å; F155-T159 HydrophobicContact CG-CG2 4.31Å; F155-T159 HydrophobicContact CZ-CG2 3.73Å; F155-T159 WeakPolarHBondContact O-CB 3.35Å; F155-T159 VanDerWaalsContact O-CG2 3.23Å; F155-T159 WeakPolarHBondContact O-CG2 3.37Å; F155-T159 PolarHBondContact O-N 3.11Å; F155-T159 VanDerWaalsContact O-N 3.12Å; F155-T159 PolarHBondContact O-OG1 2.9Å; F155-L167 HydrophobicContact CD1-CD1 4.24Å; F155-L167 HydrophobicContact CE1-CD1 4.14Å; F155-L167 HydrophobicContact CE1-CD2 4.22Å; F155-G350 WeakPolarHBondContact CB-O 3.18Å; F155-I351 HydrophobicContact CD1-CG1 4.41Å; F155-I351 HydrophobicContact CD1-CG2 4.2Å; F155-I351 HydrophobicContact CD2-CG1 4.24Å; F155-I351 HydrophobicContact CE1-CG1 4.15Å; F155-I351 HydrophobicContact CE1-CG2 4.08Å; F155-I351 HydrophobicContact CE2-CG1 3.98Å; F155-I351 HydrophobicContact CG-CG1 4.45Å; F155-I351 HydrophobicContact CZ-CD1 4.16Å; F155-I351 HydrophobicContact CZ-CG1 3.92Å
156	L	96.6	Very high	96.3	Very high	58 Å²	58	59.5 Å²	59.5	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-55.1	-52.3	173.7	-65.9	-179.3	0	0	0	111.2	F151 L152 A153 T159 M160 L167	F151-L156 HydrophobicContact CB-CD1 4.05Å; F151-L156 HydrophobicContact CB-CD2 3.46Å; F151-L156 VanDerWaalsContact CB-CD2 3.46Å; F151-L156 HydrophobicContact CB-CG 3.66Å; F151-L156 HydrophobicContact CD1-CD2 4.24Å; F151-L156 HydrophobicContact CD2-CD2 3.8Å; F151-L156 HydrophobicContact CG-CD2 3.59Å; F151-L156 HydrophobicContact CG-CG 4.34Å; L152-L156 PolarHBondContact O-N 2.77Å; L152-L156 VanDerWaalsContact O-N 3.11Å; A153-L156 PolarHBondContact O-N 2.94Å; L156-T159 PolarHBondContact O-OG1 3.44Å; L156-M160 VanDerWaalsContact O-CB 3.31Å; L156-M160 WeakPolarHBondContact O-CB 3.19Å; L156-M160 WeakPolarHBondContact O-CG 3.43Å; L156-M160 PolarHBondContact O-N 2.95Å; L156-M160 VanDerWaalsContact O-N 3.1Å; L156-L167 HydrophobicContact CD2-CB 4.11Å; L156-L167 HydrophobicContact CD2-CD1 3.32Å; L156-L167 HydrophobicContact CD2-CG 4.34Å; L156-L167 HydrophobicContact CG-CD1 4.45Å
157	N	97.3	Very high	96.3	Very high	105 Å²	105	60.5 Å²	60.5	56%	0.561	32%	0.315	S	S	*	.	H	α-helix	trans	-65.3	-48.9	-175.5	-173.6	69.4	0	0	0	112.4	A153 K154 F155 T159 M160 A161	A153-N157 WeakPolarHBondContact O-CB 3.29Å; A153-N157 PolarHBondContact O-N 3.08Å; K154-N157 PolarHBondContact O-N 3.4Å; F155-N157 PolarHBondContact O-N 2.86Å; N157-T159 PolarHBondContact O-N 2.96Å; N157-M160 PolarHBondContact O-N 2.85Å; N157-A161 WeakPolarHBondContact O-CB 3.43Å; N157-A161 PolarHBondContact O-N 3.24Å
158	D	96.5	Very high	96.4	Very high	36 Å²	36	59.7 Å²	59.7	19%	0.193	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-42.6	-175.1	-64.5	-7.6	0	0	0	110.8	L91 K154 V162	L91-D158 HydrophobicContact CD1-CB 4.02Å; K154-D158 WeakPolarHBondContact CE-OD2 3.29Å; K154-D158 VanDerWaalsContact CG-OD2 3.31Å; K154-D158 WeakPolarHBondContact CG-OD2 3.46Å; K154-D158 IonicContact NZ-OD1 3.93Å; K154-D158 IonicContact NZ-OD2 3.7Å; K154-D158 PolarHBondContact NZ-OD2 2.99Å; K154-D158 WeakPolarHBondContact O-CB 3.38Å; K154-D158 PolarHBondContact O-N 3.36Å; D158-V162 VanDerWaalsContact O-CB 3.29Å; D158-V162 WeakPolarHBondContact O-CB 3.31Å; D158-V162 VanDerWaalsContact O-CG2 3.29Å; D158-V162 WeakPolarHBondContact O-CG2 3.18Å; D158-V162 PolarHBondContact O-N 2.85Å; D158-V162 VanDerWaalsContact O-N 3.11Å
159	T	96.7	Very high	96.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-71.4	-38.8	-179.8	59	0	0	0	0	112.8	M88 L91 F155 L156 N157 Y163 E164 A165 L167	M88-T159 HydrophobicContact CG-CG2 3.71Å; M88-T159 HydrophobicContact SD-CG2 3.49Å; M88-T159 WeakPolarHBondContact SD-CG2 3.46Å; L91-T159 HydrophobicContact CD1-CG2 3.99Å; F155-T159 HydrophobicContact CD1-CG2 4.45Å; F155-T159 HydrophobicContact CD2-CG2 3.86Å; F155-T159 HydrophobicContact CE1-CG2 4.19Å; F155-T159 HydrophobicContact CE2-CG2 3.54Å; F155-T159 HydrophobicContact CG-CG2 4.31Å; F155-T159 HydrophobicContact CZ-CG2 3.73Å; F155-T159 WeakPolarHBondContact O-CB 3.35Å; F155-T159 VanDerWaalsContact O-CG2 3.23Å; F155-T159 WeakPolarHBondContact O-CG2 3.37Å; F155-T159 PolarHBondContact O-N 3.11Å; F155-T159 VanDerWaalsContact O-N 3.12Å; F155-T159 PolarHBondContact O-OG1 2.9Å; L156-T159 PolarHBondContact O-OG1 3.44Å; N157-T159 PolarHBondContact O-N 2.96Å; T159-Y163 CarbonylContact O-C 3.58Å; T159-Y163 WeakPolarHBondContact O-CA 3.36Å; T159-Y163 WeakPolarHBondContact O-CB 3.29Å; T159-Y163 PolarHBondContact O-N 3.42Å; T159-E164 PolarHBondContact O-N 2.92Å; T159-A165 PolarHBondContact O-N 2.85Å; T159-L167 WeakPolarHBondContact OG1-CD1 3.24Å
160	M	94.5	Very high	96.6	Very high	109 Å²	109	59.6 Å²	59.6	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-70.3	-38.8	177.2	-70.8	177.3	67.1	0	0	112.3	L156 N157 E164	L156-M160 VanDerWaalsContact O-CB 3.31Å; L156-M160 WeakPolarHBondContact O-CB 3.19Å; L156-M160 WeakPolarHBondContact O-CG 3.43Å; L156-M160 PolarHBondContact O-N 2.95Å; L156-M160 VanDerWaalsContact O-N 3.1Å; N157-M160 PolarHBondContact O-N 2.85Å; M160-E164 VanDerWaalsContact O-CA 3.3Å; M160-E164 WeakPolarHBondContact O-CA 3.22Å; M160-E164 PolarHBondContact O-N 3.08Å
161	A	94.5	Very high	96.6	Very high	60 Å²	60	55.4 Å²	55.4	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-75.9	-34.2	-177.2	0	0	0	0	0	113.4	Q122 N157	Q122-A161 PolarHBondContact NE2-O 3.32Å; N157-A161 WeakPolarHBondContact O-CB 3.43Å; N157-A161 PolarHBondContact O-N 3.24Å
162	V	94.4	Very high	96.5	Very high	29 Å²	29	54.5 Å²	54.5	18%	0.176	29%	0.288	C	S	.	.	H	α-helix	trans	-95.3	-40	-175.4	179.4	0	0	0	0	112	H118 Q122 D158	H118-V162 HydrophobicContact CB-CG1 4.44Å; Q122-V162 HydrophobicContact CB-CG1 3.95Å; Q122-V162 HydrophobicContact CG-CG1 4.34Å; D158-V162 VanDerWaalsContact O-CB 3.29Å; D158-V162 WeakPolarHBondContact O-CB 3.31Å; D158-V162 VanDerWaalsContact O-CG2 3.29Å; D158-V162 WeakPolarHBondContact O-CG2 3.18Å; D158-V162 PolarHBondContact O-N 2.85Å; D158-V162 VanDerWaalsContact O-N 3.11Å
163	Y	96	Very high	96.3	Very high	6 Å²	6	59.7 Å²	59.7	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-116.2	0.1	-170.3	-65.7	-88.4	0	0	0	113.9	A84 A87 M88 L91 H118 F121 L125 T159 A165	A84-Y163 WeakPolarHBondContact O-CE1 3.2Å; A87-Y163 HydrophobicContact CB-CE1 4.17Å; A87-Y163 WeakPolarHBondContact CB-OH 3.06Å; M88-Y163 HydrophobicContact CB-CD1 3.8Å; M88-Y163 HydrophobicContact CB-CD2 3.7Å; M88-Y163 HydrophobicContact CB-CE1 4.1Å; M88-Y163 HydrophobicContact CB-CE2 4.02Å; M88-Y163 HydrophobicContact CB-CG 3.6Å; M88-Y163 HydrophobicContact CG-CD1 4.46Å; M88-Y163 HydrophobicContact CG-CD2 3.79Å; M88-Y163 HydrophobicContact CG-CE2 4.49Å; M88-Y163 HydrophobicContact CG-CG 3.79Å; L91-Y163 HydrophobicContact CD1-CD2 4.11Å; L91-Y163 HydrophobicContact CD1-CE2 3.8Å; H118-Y163 AromaticContact ND1-CE2 3.91Å; H118-Y163 AromaticContact ND1-CZ 3.81Å; H118-Y163 PolarHBondContact ND1-OH 3.11Å; F121-Y163 HydrophobicContact CB-CD1 4.43Å; F121-Y163 HydrophobicContact CB-CE1 3.53Å; F121-Y163 HydrophobicContact CD1-CE1 4.4Å; F121-Y163 HydrophobicContact CD2-CE1 4.33Å; F121-Y163 AromaticContact CG-CE1 3.86Å; F121-Y163 HydrophobicContact CG-CE1 3.86Å; L125-Y163 HydrophobicContact CD1-CD1 3.79Å; L125-Y163 HydrophobicContact CD1-CG 4.46Å; T159-Y163 CarbonylContact O-C 3.58Å; T159-Y163 WeakPolarHBondContact O-CA 3.36Å; T159-Y163 WeakPolarHBondContact O-CB 3.29Å; T159-Y163 PolarHBondContact O-N 3.42Å; Y163-A165 PolarHBondContact O-N 3.28Å
164	E	93.3	Very high	96.3	Very high	101 Å²	101	59.9 Å²	59.9	47%	0.472	30%	0.295	S	S	.	.			trans	53.9	24.3	-174.6	-59.3	172.6	-148.3	0	0	113.2	N129 T159 M160	N129-E164 PolarHBondContact ND2-OE1 3.4Å; N129-E164 VanDerWaalsContact ND2-OE1 3.13Å; N129-E164 PolarHBondContact ND2-OE2 3.23Å; T159-E164 PolarHBondContact O-N 2.92Å; M160-E164 VanDerWaalsContact O-CA 3.3Å; M160-E164 WeakPolarHBondContact O-CA 3.22Å; M160-E164 PolarHBondContact O-N 3.08Å
165	A	95.2	Very high	96.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	27%	0.273	C	S	.	.			trans	-63.3	149.3	-171.3	0	0	0	0	0	112.1	M88 S141 T159 Y163	M88-A165 HydrophobicContact CE-CB 4.26Å; M88-A165 HydrophobicContact CG-CB 4.12Å; M88-A165 HydrophobicContact SD-CB 4.3Å; S141-A165 WeakPolarHBondContact O-CA 3.26Å; T159-A165 PolarHBondContact O-N 2.85Å; Y163-A165 PolarHBondContact O-N 3.28Å
166	K	97.2	Very high	96.2	Very high	86 Å²	86	59.6 Å²	59.6	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.3	176.4	-53.7	-57.3	-179.6	-156.2	0	110.3	S141 A142 L143 F168	S141-K166 PolarHBondContact O-N 3.42Å; S141-K166 VanDerWaalsContact O-N 3.09Å; A142-K166 CarbonylContact C-O 3.54Å; A142-K166 WeakPolarHBondContact CA-O 3.29Å; A142-K166 HydrophobicContact CB-CB 4.06Å; A142-K166 WeakPolarHBondContact CB-O 3.37Å; L143-K166 PolarHBondContact N-O 3.46Å; K166-F168 HydrophobicContact CB-CD2 4.41Å; K166-F168 HydrophobicContact CB-CE2 3.48Å; K166-F168 VanDerWaalsContact CB-CE2 3.48Å; K166-F168 HydrophobicContact CB-CZ 3.77Å
167	L	97.6	Very high	96.3	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.1	-176	-58.7	177.1	0	0	0	109.3	L143 F151 F155 L156 T159	L143-L167 HydrophobicContact CB-CD2 3.57Å; L143-L167 HydrophobicContact CD2-CD2 4.5Å; L143-L167 HydrophobicContact CG-CD2 4.46Å; L143-L167 WeakPolarHBondContact O-CA 3.23Å; F151-L167 HydrophobicContact CE1-CD2 4.44Å; F151-L167 HydrophobicContact CE2-CB 4.07Å; F151-L167 HydrophobicContact CZ-CB 4.06Å; F151-L167 HydrophobicContact CZ-CD2 4.38Å; F155-L167 HydrophobicContact CD1-CD1 4.24Å; F155-L167 HydrophobicContact CE1-CD1 4.14Å; F155-L167 HydrophobicContact CE1-CD2 4.22Å; L156-L167 HydrophobicContact CD2-CB 4.11Å; L156-L167 HydrophobicContact CD2-CD1 3.32Å; L156-L167 HydrophobicContact CD2-CG 4.34Å; L156-L167 HydrophobicContact CG-CD1 4.45Å; T159-L167 WeakPolarHBondContact OG1-CD1 3.24Å
168	F	98	Very high	96.3	Very high	69 Å²	69	53.3 Å²	53.3	30%	0.303	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.1	-174.5	-59.4	-78.1	0	0	0	111.3	A142 L143 F144 L145 K166 H185	A142-F168 HydrophobicContact CB-CD2 4.49Å; A142-F168 HydrophobicContact CB-CE2 4.18Å; L143-F168 PolarHBondContact O-N 2.87Å; F144-F168 WeakPolarHBondContact CA-O 3.34Å; F144-F168 HydrophobicContact CD1-CB 3.66Å; F144-F168 AromaticContact CD1-CD2 3.95Å; F144-F168 HydrophobicContact CD1-CD2 3.95Å; F144-F168 HydrophobicContact CD1-CG 4.13Å; F144-F168 HydrophobicContact CE1-CB 3.93Å; F144-F168 AromaticContact CE1-CD2 3.46Å; F144-F168 HydrophobicContact CE1-CD2 3.46Å; F144-F168 VanDerWaalsContact CE1-CD2 3.46Å; F144-F168 HydrophobicContact CE1-CE2 4.19Å; F144-F168 AromaticContact CE1-CG 3.87Å; F144-F168 HydrophobicContact CE1-CG 3.87Å; F144-F168 HydrophobicContact CE2-CD2 4.32Å; F144-F168 HydrophobicContact CG-CB 4.41Å; F144-F168 AromaticContact CZ-CD2 3.67Å; F144-F168 HydrophobicContact CZ-CD2 3.67Å; F144-F168 HydrophobicContact CZ-CE2 4.07Å; L145-F168 PolarHBondContact N-O 2.85Å; K166-F168 HydrophobicContact CB-CD2 4.41Å; K166-F168 HydrophobicContact CB-CE2 3.48Å; K166-F168 VanDerWaalsContact CB-CE2 3.48Å; K166-F168 HydrophobicContact CB-CZ 3.77Å; F168-H185 AromaticContact CE2-CE1 3.76Å; F168-H185 AromaticContact CE2-CG 3.95Å; F168-H185 AromaticContact CE2-ND1 3.74Å; F168-H185 AromaticContact CE2-NE2 3.97Å; F168-H185 AromaticContact CZ-CE1 3.8Å; F168-H185 AromaticContact CZ-ND1 3.62Å
169	H	97.8	Very high	96.3	Very high	91 Å²	91	53 Å²	53	42%	0.421	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.6	163.3	-72.3	-61.3	0	0	0	110.3	L145 H147 L149 F151	L145-H169 CarbonylContact O-C 3.57Å; L145-H169 VanDerWaalsContact O-CA 3.28Å; L145-H169 WeakPolarHBondContact O-CA 3.46Å; H147-H169 HydrophobicContact CB-CB 4.24Å; L149-H169 PolarHBondContact O-CE1 2.98Å; L149-H169 PolarHBondContact O-ND1 2.93Å; F151-H169 AromaticContact CD2-CE1 3.5Å; F151-H169 AromaticContact CD2-NE2 3.59Å; F151-H169 AromaticContact CE2-CE1 3.67Å; F151-H169 AromaticContact CE2-NE2 3.97Å
170	T	97.1	Very high	96.4	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.086	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.8	174.8	-166.9	0	0	0	0	112.2	F144 L145 S146 H147 F172 T178	F144-T170 HydrophobicContact CB-CG2 4.2Å; L145-T170 PolarHBondContact O-N 2.78Å; S146-T170 CarbonylContact C-O 3.53Å; S146-T170 WeakPolarHBondContact CA-O 3.44Å; H147-T170 PolarHBondContact N-O 3.03Å; H147-T170 PolarHBondContact ND1-O 3.45Å; T170-F172 HydrophobicContact CG2-CD1 4.12Å; T170-F172 HydrophobicContact CG2-CD2 3.92Å; T170-F172 HydrophobicContact CG2-CE1 3.73Å; T170-F172 HydrophobicContact CG2-CE2 3.54Å; T170-F172 HydrophobicContact CG2-CG 4.2Å; T170-F172 HydrophobicContact CG2-CZ 3.42Å; T170-F172 VanDerWaalsContact CG2-CZ 3.42Å; T170-T178 HydrophobicContact CG2-CG2 3.63Å; T170-T178 PolarHBondContact OG1-OG1 3.29Å
171	N	96.5	Very high	96.5	Very high	62 Å²	62	56 Å²	56	33%	0.332	29%	0.292	S	S	.	.			trans	-103.6	95.3	173.1	-178.8	19.5	0	0	0	110.7	H147 Y173 D174 T178	H147-N171 PolarHBondContact CE1-OD1 2.93Å; N171-Y173 PolarHBondContact O-N 3.37Å; N171-Y173 VanDerWaalsContact O-N 3.1Å; N171-Y173 WeakPolarHBondContact OD1-CD2 3.45Å; N171-Y173 PolarHBondContact OD1-N 2.92Å; N171-D174 CarbonylContact O-C 3.51Å; N171-D174 WeakPolarHBondContact O-CA 3.29Å; N171-D174 PolarHBondContact O-N 3.1Å; N171-T178 PolarHBondContact O-OG1 2.96Å
172	F	95.9	Very high	96.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.9	-178.4	-71.3	-72	0	0	0	114.9	F144 T170 D174 T175 T178 L201 V205 L206 V208	F144-F172 HydrophobicContact CB-CZ 4.29Å; T170-F172 HydrophobicContact CG2-CD1 4.12Å; T170-F172 HydrophobicContact CG2-CD2 3.92Å; T170-F172 HydrophobicContact CG2-CE1 3.73Å; T170-F172 HydrophobicContact CG2-CE2 3.54Å; T170-F172 HydrophobicContact CG2-CG 4.2Å; T170-F172 HydrophobicContact CG2-CZ 3.42Å; T170-F172 VanDerWaalsContact CG2-CZ 3.42Å; F172-D174 VanDerWaalsContact C-N 3.3Å; F172-T175 PolarHBondContact O-OG1 3.25Å; F172-T178 HydrophobicContact CD1-CG2 3.7Å; F172-T178 HydrophobicContact CE1-CG2 3.62Å; F172-L201 HydrophobicContact CD1-CD1 4.39Å; F172-L201 HydrophobicContact CE1-CD1 4.28Å; F172-V205 VanDerWaalsContact CB-O 3.24Å; F172-V205 WeakPolarHBondContact CB-O 3.34Å; F172-V205 HydrophobicContact CD1-CB 4.24Å; F172-V205 HydrophobicContact CD1-CG1 4.08Å; F172-V205 WeakPolarHBondContact CD2-O 3.28Å; F172-V205 HydrophobicContact CE1-CG1 3.94Å; F172-V205 WeakPolarHBondContact CG-O 3.46Å; F172-V205 HydrophobicContact CZ-CG1 4.26Å; F172-L206 VanDerWaalsContact CE2-C 3.49Å; F172-L206 VanDerWaalsContact CE2-O 3.3Å; F172-L206 WeakPolarHBondContact CE2-O 3.46Å; F172-V208 HydrophobicContact CE1-CB 4.39Å; F172-V208 HydrophobicContact CE1-CG2 3.47Å; F172-V208 VanDerWaalsContact CE1-CG2 3.47Å; F172-V208 HydrophobicContact CZ-CB 4.38Å; F172-V208 HydrophobicContact CZ-CG2 3.8Å
173	Y	95.3	Very high	96.8	Very high	161 Å²	161	52.4 Å²	52.4	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-33	169.9	-65.4	-68.6	0	0	0	112.3	N171 T175 K203	N171-Y173 PolarHBondContact O-N 3.37Å; N171-Y173 VanDerWaalsContact O-N 3.1Å; N171-Y173 WeakPolarHBondContact OD1-CD2 3.45Å; N171-Y173 PolarHBondContact OD1-N 2.92Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 3.36Å; Y173-K203 HydrophobicContact CD1-CB 4.44Å
174	D	96.6	Very high	96.9	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	28%	0.282	S	S	.	.	S	Bend	trans	-85.6	78.3	165.4	179.6	13.5	0	0	0	109.1	N171 F172 V176 G177 T178	N171-D174 CarbonylContact O-C 3.51Å; N171-D174 WeakPolarHBondContact O-CA 3.29Å; N171-D174 PolarHBondContact O-N 3.1Å; F172-D174 VanDerWaalsContact C-N 3.3Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 3.34Å; D174-G177 PolarHBondContact O-N 3.06Å; D174-G177 PolarHBondContact OD1-N 3.04Å; D174-G177 WeakPolarHBondContact OD2-CA 3.49Å; D174-T178 WeakPolarHBondContact O-CB 3.23Å; D174-T178 PolarHBondContact O-N 3.09Å; D174-T178 PolarHBondContact O-OG1 2.75Å
175	T	96.3	Very high	97.1	Very high	27 Å²	27	51.9 Å²	51.9	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-39.3	-177.1	-49.8	0	0	0	0	111.7	F172 Y173 I179 L201	F172-T175 PolarHBondContact O-OG1 3.25Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 3.36Å; T175-I179 HydrophobicContact CG2-CD1 3.88Å; T175-I179 WeakPolarHBondContact O-CB 3.4Å; T175-I179 VanDerWaalsContact O-CG1 3.22Å; T175-I179 WeakPolarHBondContact O-CG1 3.44Å; T175-I179 PolarHBondContact O-N 3.48Å; T175-L201 HydrophobicContact CG2-CB 3.89Å; T175-L201 WeakPolarHBondContact CG2-O 3.3Å
176	V	97.2	Very high	97.1	Very high	117 Å²	117	51.9 Å²	51.9	71%	0.709	26%	0.264	S	S	*	.	H	α-helix	trans	-67.7	-49.5	-179.6	178.8	0	0	0	0	110.3	D174 T178 I179 Q180	D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 3.34Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 3.1Å; V176-I179 PolarHBondContact O-N 2.96Å; V176-Q180 WeakPolarHBondContact O-CB 3.16Å; V176-Q180 PolarHBondContact O-N 3.37Å
177	G	97.5	Very high	97.1	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-38.9	177.3	0	0	0	0	0	112.6	D174 Q180 L181	D174-G177 PolarHBondContact O-N 3.06Å; D174-G177 PolarHBondContact OD1-N 3.04Å; D174-G177 WeakPolarHBondContact OD2-CA 3.49Å; G177-Q180 PolarHBondContact O-N 3.38Å; G177-L181 WeakPolarHBondContact O-CB 3.4Å; G177-L181 PolarHBondContact O-N 2.91Å
178	T	97.4	Very high	97	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-44.9	177.3	-61.3	0	0	0	0	112.5	T170 N171 F172 D174 V176 Q180 L181 I182 L201	T170-T178 HydrophobicContact CG2-CG2 3.63Å; T170-T178 PolarHBondContact OG1-OG1 3.29Å; N171-T178 PolarHBondContact O-OG1 2.96Å; F172-T178 HydrophobicContact CD1-CG2 3.7Å; F172-T178 HydrophobicContact CE1-CG2 3.62Å; D174-T178 WeakPolarHBondContact O-CB 3.23Å; D174-T178 PolarHBondContact O-N 3.09Å; D174-T178 PolarHBondContact O-OG1 2.75Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 3.1Å; T178-Q180 VanDerWaalsContact C-N 3.31Å; T178-Q180 PolarHBondContact O-N 3.27Å; T178-L181 PolarHBondContact O-N 2.96Å; T178-I182 HydrophobicContact CG2-CD1 3.81Å; T178-I182 HydrophobicContact CG2-CG1 4.45Å; T178-I182 VanDerWaalsContact O-CG1 3.3Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.46Å; T178-L201 HydrophobicContact CG2-CD1 3.99Å
179	I	97.9	Very high	96.7	Very high	29 Å²	29	56.9 Å²	56.9	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-44.8	176.7	-72.3	169.5	0	0	0	110.2	T175 V176 I182 N183 V198 L201	T175-I179 HydrophobicContact CG2-CD1 3.88Å; T175-I179 WeakPolarHBondContact O-CB 3.4Å; T175-I179 VanDerWaalsContact O-CG1 3.22Å; T175-I179 WeakPolarHBondContact O-CG1 3.44Å; T175-I179 PolarHBondContact O-N 3.48Å; V176-I179 PolarHBondContact O-N 2.96Å; I179-I182 PolarHBondContact O-N 2.82Å; I179-N183 WeakPolarHBondContact CG2-ND2 3.45Å; I179-N183 WeakPolarHBondContact O-CB 3.33Å; I179-N183 PolarHBondContact O-N 3.36Å; I179-N183 PolarHBondContact O-ND2 3.48Å; I179-V198 HydrophobicContact CG1-CG1 4.19Å; I179-V198 VanDerWaalsContact CG2-O 3.31Å; I179-V198 WeakPolarHBondContact CG2-O 3.35Å; I179-L201 HydrophobicContact CD1-CB 4.41Å; I179-L201 HydrophobicContact CG1-CB 4.36Å; I179-L201 HydrophobicContact CG1-CD1 3.98Å; I179-L201 HydrophobicContact CG1-CG 4.2Å
180	Q	97.8	Very high	96.4	Very high	102 Å²	102	52.5 Å²	52.5	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-47.6	177.4	-171.7	63.5	38.2	0	0	111.4	V176 G177 T178 I182 N183 D184	V176-Q180 WeakPolarHBondContact O-CB 3.16Å; V176-Q180 PolarHBondContact O-N 3.37Å; G177-Q180 PolarHBondContact O-N 3.38Å; T178-Q180 VanDerWaalsContact C-N 3.31Å; T178-Q180 PolarHBondContact O-N 3.27Å; Q180-I182 PolarHBondContact O-N 3.24Å; Q180-N183 PolarHBondContact O-N 3.44Å; Q180-D184 WeakPolarHBondContact CG-OD2 3.45Å; Q180-D184 PolarHBondContact NE2-OD1 3.45Å; Q180-D184 PolarHBondContact NE2-OD2 3.27Å; Q180-D184 VanDerWaalsContact O-CB 3.29Å; Q180-D184 WeakPolarHBondContact O-CB 3.39Å; Q180-D184 VanDerWaalsContact O-CG 3.3Å; Q180-D184 PolarHBondContact O-N 2.94Å
181	L	98	Very high	96.1	Very high	72 Å²	72	58.2 Å²	58.2	38%	0.377	28%	0.284	S	S	.	.	H	α-helix	trans	-56.8	-47	177.7	-178.3	74.6	0	0	0	112.2	F144 G177 T178 H185	F144-L181 HydrophobicContact CD1-CD2 4.08Å; F144-L181 HydrophobicContact CE1-CD2 4.05Å; F144-L181 HydrophobicContact CE1-CG 4.14Å; G177-L181 WeakPolarHBondContact O-CB 3.4Å; G177-L181 PolarHBondContact O-N 2.91Å; T178-L181 PolarHBondContact O-N 2.96Å; L181-H185 WeakPolarHBondContact O-CB 3.36Å; L181-H185 PolarHBondContact O-N 3.42Å
182	I	97.5	Very high	95.9	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-49.3	-180	-66.3	166	0	0	0	110.2	F144 T178 I179 Q180 D184 H185 V186 V198 L201 V208 V210	F144-I182 HydrophobicContact CD1-CG1 3.8Å; F144-I182 HydrophobicContact CD2-CD1 4.36Å; F144-I182 HydrophobicContact CD2-CG1 3.81Å; F144-I182 HydrophobicContact CE1-CG1 3.8Å; F144-I182 HydrophobicContact CE2-CB 4.34Å; F144-I182 HydrophobicContact CE2-CG1 3.81Å; F144-I182 HydrophobicContact CE2-CG2 4.13Å; F144-I182 HydrophobicContact CG-CD1 4.32Å; F144-I182 HydrophobicContact CG-CG1 3.82Å; F144-I182 HydrophobicContact CZ-CB 4.22Å; F144-I182 HydrophobicContact CZ-CG1 3.81Å; F144-I182 HydrophobicContact CZ-CG2 4.39Å; T178-I182 HydrophobicContact CG2-CD1 3.81Å; T178-I182 HydrophobicContact CG2-CG1 4.45Å; T178-I182 VanDerWaalsContact O-CG1 3.3Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.46Å; I179-I182 PolarHBondContact O-N 2.82Å; Q180-I182 PolarHBondContact O-N 3.24Å; I182-D184 PolarHBondContact O-N 3.47Å; I182-H185 PolarHBondContact O-N 3.31Å; I182-V186 WeakPolarHBondContact O-CG2 3.47Å; I182-V186 PolarHBondContact O-N 2.92Å; I182-V186 VanDerWaalsContact O-N 3.08Å; I182-V198 HydrophobicContact CG2-CG2 3.73Å; I182-L201 HydrophobicContact CD1-CD1 3.95Å; I182-V208 HydrophobicContact CD1-CB 4.24Å; I182-V208 HydrophobicContact CD1-CG1 4.08Å; I182-V208 HydrophobicContact CD1-CG2 4.39Å; I182-V210 HydrophobicContact CG2-CG1 3.69Å
183	N	97.6	Very high	95.5	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.07	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-40.2	-178.1	-73.6	-21.8	0	0	0	111.8	I179 Q180 V186 K187 L197 V198	I179-N183 WeakPolarHBondContact CG2-ND2 3.45Å; I179-N183 WeakPolarHBondContact O-CB 3.33Å; I179-N183 PolarHBondContact O-N 3.36Å; I179-N183 PolarHBondContact O-ND2 3.48Å; Q180-N183 PolarHBondContact O-N 3.44Å; N183-V186 PolarHBondContact O-N 3.11Å; N183-K187 WeakPolarHBondContact O-CB 3.28Å; N183-K187 PolarHBondContact O-N 2.87Å; N183-L197 PolarHBondContact OD1-N 3.17Å; N183-V198 PolarHBondContact ND2-O 2.89Å; N183-V198 PolarHBondContact OD1-N 2.86Å
184	D	97.9	Very high	95.2	Very high	75 Å²	75	52.9 Å²	52.9	40%	0.401	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-38.9	176.4	-76	-24.7	0	0	0	112.1	Q180 I182 K188	Q180-D184 WeakPolarHBondContact CG-OD2 3.45Å; Q180-D184 PolarHBondContact NE2-OD1 3.45Å; Q180-D184 PolarHBondContact NE2-OD2 3.27Å; Q180-D184 VanDerWaalsContact O-CB 3.29Å; Q180-D184 WeakPolarHBondContact O-CB 3.39Å; Q180-D184 VanDerWaalsContact O-CG 3.3Å; Q180-D184 PolarHBondContact O-N 2.94Å; I182-D184 PolarHBondContact O-N 3.47Å; D184-K188 VanDerWaalsContact O-CB 3.3Å; D184-K188 WeakPolarHBondContact O-CB 3.32Å; D184-K188 PolarHBondContact O-N 3.24Å
185	H	97.3	Very high	95	Very high	21 Å²	21	51.6 Å²	51.6	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-52.7	174.2	175.6	64.9	0	0	0	111.3	A142 F144 F168 L181 I182 K187 K188 E189 Y212	A142-H185 WeakPolarHBondContact CB-NE2 3.31Å; F144-H185 HydrophobicContact CZ-CB 4.14Å; F168-H185 AromaticContact CE2-CE1 3.76Å; F168-H185 AromaticContact CE2-CG 3.95Å; F168-H185 AromaticContact CE2-ND1 3.74Å; F168-H185 AromaticContact CE2-NE2 3.97Å; F168-H185 AromaticContact CZ-CE1 3.8Å; F168-H185 AromaticContact CZ-ND1 3.62Å; L181-H185 WeakPolarHBondContact O-CB 3.36Å; L181-H185 PolarHBondContact O-N 3.42Å; I182-H185 PolarHBondContact O-N 3.31Å; H185-K187 PolarHBondContact O-N 2.84Å; H185-K188 PolarHBondContact O-N 3.24Å; H185-E189 VanDerWaalsContact CE1-CG 3.48Å; H185-E189 WeakPolarHBondContact CE1-CG 3.41Å; H185-E189 IonicContact CE1-OE1 2.67Å; H185-E189 WeakPolarHBondContact O-CG 3.31Å; H185-E189 PolarHBondContact O-N 3.08Å; H185-Y212 PolarHBondContact NE2-OH 2.68Å
186	V	95.6	Very high	94.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-40.8	-178.4	176	0	0	0	0	111.2	I182 N183 K188 E189 T190 I194 L197 V210 Y212	I182-V186 WeakPolarHBondContact O-CG2 3.47Å; I182-V186 PolarHBondContact O-N 2.92Å; I182-V186 VanDerWaalsContact O-N 3.08Å; N183-V186 PolarHBondContact O-N 3.11Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.15Å; V186-E189 PolarHBondContact O-N 3.29Å; V186-T190 HydrophobicContact CG1-CG2 4.21Å; V186-T190 WeakPolarHBondContact O-CB 3.39Å; V186-T190 VanDerWaalsContact O-CG2 3.27Å; V186-T190 WeakPolarHBondContact O-CG2 3.41Å; V186-T190 PolarHBondContact O-N 3.37Å; V186-T190 PolarHBondContact O-OG1 3.02Å; V186-I194 HydrophobicContact CG1-CB 4.01Å; V186-I194 HydrophobicContact CG1-CG2 3.66Å; V186-L197 HydrophobicContact CB-CD2 4.48Å; V186-L197 HydrophobicContact CG1-CD2 4.32Å; V186-L197 HydrophobicContact CG2-CD2 3.8Å; V186-V210 HydrophobicContact CG2-CB 4.42Å; V186-V210 HydrophobicContact CG2-CG2 3.9Å; V186-Y212 HydrophobicContact CB-CD1 4.32Å; V186-Y212 HydrophobicContact CG1-CD1 3.94Å; V186-Y212 HydrophobicContact CG1-CG 4.17Å; V186-Y212 HydrophobicContact CG2-CD1 3.8Å; V186-Y212 HydrophobicContact CG2-CE1 4.04Å
187	K	96.1	Very high	94.6	Very high	100 Å²	100	50.6 Å²	50.6	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-59	-44.5	175	-175.9	-179.1	-179.3	178	0	111.4	N183 H185 T190 R191 G192 I194 V195	N183-K187 WeakPolarHBondContact O-CB 3.28Å; N183-K187 PolarHBondContact O-N 2.87Å; H185-K187 PolarHBondContact O-N 2.84Å; K187-T190 PolarHBondContact O-OG1 3.09Å; K187-R191 PolarHBondContact O-N 3.46Å; K187-R191 VanDerWaalsContact O-N 3.15Å; K187-G192 PolarHBondContact O-N 2.68Å; K187-I194 VanDerWaalsContact CA-O 3.31Å; K187-I194 WeakPolarHBondContact CA-O 3.39Å; K187-V195 HydrophobicContact CD-CG1 4.1Å; K187-V195 HydrophobicContact CG-CG1 4.11Å
188	K	96.1	Very high	94.5	Very high	163 Å²	163	49.3 Å²	49.3	71%	0.709	24%	0.243	S	C	*	.	H	α-helix	trans	-62.6	-50.6	176.9	179.8	-174.2	175.2	-176.3	0	111.5	D184 H185 V186 T190 R191	D184-K188 VanDerWaalsContact O-CB 3.3Å; D184-K188 WeakPolarHBondContact O-CB 3.32Å; D184-K188 PolarHBondContact O-N 3.24Å; H185-K188 PolarHBondContact O-N 3.24Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.15Å; K188-T190 PolarHBondContact O-N 3.43Å; K188-R191 PolarHBondContact O-N 3.29Å; K188-R191 VanDerWaalsContact O-N 3.15Å
189	E	92.4	Very high	94.2	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-27.4	-175.6	-68.5	-70.1	164.4	0	0	112.8	R138 H185 V186 Y212	R138-E189 IonicContact CZ-OE2 3.74Å; R138-E189 PolarHBondContact NH1-O 3.37Å; R138-E189 IonicContact NH1-OE2 2.87Å; R138-E189 IonicContact NH2-OE2 3.11Å; R138-E189 PolarHBondContact NH2-OE2 3.33Å; H185-E189 VanDerWaalsContact CE1-CG 3.48Å; H185-E189 WeakPolarHBondContact CE1-CG 3.41Å; H185-E189 IonicContact CE1-OE1 2.67Å; H185-E189 WeakPolarHBondContact O-CG 3.31Å; H185-E189 PolarHBondContact O-N 3.08Å; V186-E189 PolarHBondContact O-N 3.29Å; E189-Y212 HydrophobicContact CB-CD2 4.34Å; E189-Y212 HydrophobicContact CB-CE1 4.43Å; E189-Y212 HydrophobicContact CB-CE2 3.46Å; E189-Y212 VanDerWaalsContact CB-CE2 3.46Å; E189-Y212 WeakPolarHBondContact CB-OH 3.32Å; E189-Y212 HydrophobicContact CG-CE2 4.27Å; E189-Y212 VanDerWaalsContact CG-OH 3.25Å; E189-Y212 WeakPolarHBondContact CG-OH 3.38Å
190	T	90.7	Very high	94	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	11.6	177.6	65.3	0	0	0	0	113.5	V186 K187 K188 G192 K193 I194 Y212 Y214	V186-T190 HydrophobicContact CG1-CG2 4.21Å; V186-T190 WeakPolarHBondContact O-CB 3.39Å; V186-T190 VanDerWaalsContact O-CG2 3.27Å; V186-T190 WeakPolarHBondContact O-CG2 3.41Å; V186-T190 PolarHBondContact O-N 3.37Å; V186-T190 PolarHBondContact O-OG1 3.02Å; K187-T190 PolarHBondContact O-OG1 3.09Å; K188-T190 PolarHBondContact O-N 3.43Å; T190-G192 PolarHBondContact O-N 3.33Å; T190-K193 WeakPolarHBondContact O-CB 3.48Å; T190-K193 PolarHBondContact O-N 3.49Å; T190-I194 HydrophobicContact CG2-CB 4.03Å; T190-I194 HydrophobicContact CG2-CD1 3.88Å; T190-I194 HydrophobicContact CG2-CG1 4.06Å; T190-I194 PolarHBondContact OG1-N 2.89Å; T190-I194 VanDerWaalsContact OG1-N 3.12Å; T190-Y212 HydrophobicContact CG2-CD2 3.69Å; T190-Y212 HydrophobicContact CG2-CG 3.95Å; T190-Y214 WeakPolarHBondContact O-CD2 3.44Å
191	R	91.5	Very high	93.8	Very high	133 Å²	133	56.2 Å²	56.2	50%	0.502	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	39.9	-179.9	-56.9	-176.6	-178.4	158.5	0.7	113.3	E136 K187 K188 K193 Y214	E136-R191 VanDerWaalsContact CD-NH1 3.31Å; E136-R191 IonicContact OE1-NH1 3.66Å; E136-R191 PolarHBondContact OE1-NH1 3.28Å; E136-R191 VanDerWaalsContact OE1-NH1 3.09Å; E136-R191 IonicContact OE2-CZ 2.8Å; E136-R191 IonicContact OE2-NH1 2.68Å; E136-R191 PolarHBondContact OE2-NH1 3.34Å; E136-R191 IonicContact OE2-NH2 2.72Å; E136-R191 PolarHBondContact OE2-NH2 3.43Å; K187-R191 PolarHBondContact O-N 3.46Å; K187-R191 VanDerWaalsContact O-N 3.15Å; K188-R191 PolarHBondContact O-N 3.29Å; K188-R191 VanDerWaalsContact O-N 3.15Å; R191-K193 VanDerWaalsContact C-N 3.35Å; R191-Y214 HydrophobicContact CB-CE2 4.19Å; R191-Y214 HydrophobicContact CG-CE2 4.39Å; R191-Y214 PolarHBondContact NH1-OH 3.41Å
192	G	91.2	Very high	93.6	Very high	37 Å²	37	59.7 Å²	59.7	38%	0.381	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-2.3	177.9	0	0	0	0	0	115.5	K187 T190	K187-G192 PolarHBondContact O-N 2.68Å; T190-G192 PolarHBondContact O-N 3.33Å
193	K	88.2	Confident	93.3	Very high	77 Å²	77	66.3 Å²	66.3	34%	0.335	33%	0.327	S	S	.	.	S	Bend	trans	-74.4	-31.4	-177.5	-70.7	-68	-170.6	171.6	0	113.9	T190 R191 Y214 D369	T190-K193 WeakPolarHBondContact O-CB 3.48Å; T190-K193 PolarHBondContact O-N 3.49Å; R191-K193 VanDerWaalsContact C-N 3.35Å; K193-Y214 HydrophobicContact CG-CD2 4.49Å; K193-Y214 HydrophobicContact CG-CE2 4.25Å; K193-D369 IonicContact NZ-OD2 3.76Å; K193-D369 PolarHBondContact NZ-OD2 2.84Å
194	I	89	Confident	93	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	35%	0.35	C	S	.	.	S	Bend	trans	-111.6	110.3	174.7	-60.7	-179.8	0	0	0	107.8	V186 K187 T190 K365 T367	V186-I194 HydrophobicContact CG1-CB 4.01Å; V186-I194 HydrophobicContact CG1-CG2 3.66Å; K187-I194 VanDerWaalsContact CA-O 3.31Å; K187-I194 WeakPolarHBondContact CA-O 3.39Å; T190-I194 HydrophobicContact CG2-CB 4.03Å; T190-I194 HydrophobicContact CG2-CD1 3.88Å; T190-I194 HydrophobicContact CG2-CG1 4.06Å; T190-I194 PolarHBondContact OG1-N 2.89Å; T190-I194 VanDerWaalsContact OG1-N 3.12Å; I194-K365 VanDerWaalsContact CD1-O 3.23Å; I194-K365 WeakPolarHBondContact CD1-O 3.4Å; I194-K365 HydrophobicContact CG2-CB 4Å; I194-K365 HydrophobicContact CG2-CD 3.95Å; I194-K365 HydrophobicContact CG2-CG 4.07Å; I194-T367 HydrophobicContact CG1-CG2 4.3Å
195	V	92.3	Very high	92.8	Very high	56 Å²	56	67.2 Å²	67.2	34%	0.339	33%	0.332	S	S	.	.			trans	-114.3	154	173.9	-62.5	0	0	0	0	109.6	K187 L197 K365	K187-V195 HydrophobicContact CD-CG1 4.1Å; K187-V195 HydrophobicContact CG-CG1 4.11Å; V195-L197 PolarHBondContact O-N 2.97Å; V195-K365 PolarHBondContact O-NZ 2.78Å
196	D	91.5	Very high	92.7	Very high	117 Å²	117	67.5 Å²	67.5	63%	0.626	34%	0.335	S	S	*	.			trans	48.4	60.6	173.9	-49.6	-43	0	0	0	112.2	K365	D196-K365 PolarHBondContact O-NZ 3.09Å
197	L	93.2	Very high	92.7	Very high	6 Å²	6	67.7 Å²	67.7	3%	0.031	34%	0.335	C	S	.	.			trans	-71.3	-48.4	177.9	170.3	65.4	0	0	0	110.5	N183 V186 V195 V210 F363 K365	N183-L197 PolarHBondContact OD1-N 3.17Å; V186-L197 HydrophobicContact CB-CD2 4.48Å; V186-L197 HydrophobicContact CG1-CD2 4.32Å; V186-L197 HydrophobicContact CG2-CD2 3.8Å; V195-L197 PolarHBondContact O-N 2.97Å; L197-V210 HydrophobicContact CD2-CB 3.65Å; L197-V210 HydrophobicContact CD2-CG1 3.6Å; L197-F363 HydrophobicContact CD1-CB 3.98Å; L197-F363 HydrophobicContact CD2-CB 4.24Å; L197-F363 HydrophobicContact CG-CB 4.01Å; L197-K365 HydrophobicContact CD1-CB 3.36Å; L197-K365 HydrophobicContact CD1-CD 4.42Å
198	V	94.9	Very high	92.8	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.012	32%	0.315	C	S	.	.			trans	-105	121.1	-179.3	-175.2	0	0	0	0	108.3	I179 I182 N183 L201 V210 F363	I179-V198 HydrophobicContact CG1-CG1 4.19Å; I179-V198 VanDerWaalsContact CG2-O 3.31Å; I179-V198 WeakPolarHBondContact CG2-O 3.35Å; I182-V198 HydrophobicContact CG2-CG2 3.73Å; N183-V198 PolarHBondContact ND2-O 2.89Å; N183-V198 PolarHBondContact OD1-N 2.86Å; V198-L201 HydrophobicContact CG1-CD1 4.13Å; V198-L201 HydrophobicContact CG1-CD2 4.25Å; V198-L201 HydrophobicContact CG1-CG 3.76Å; V198-V210 HydrophobicContact CG2-CG1 4.5Å; V198-F363 HydrophobicContact CG1-CE1 4.47Å; V198-F363 HydrophobicContact CG1-CE2 3.98Å; V198-F363 HydrophobicContact CG1-CZ 3.94Å; V198-F363 HydrophobicContact CG2-CB 4.4Å; V198-F363 HydrophobicContact CG2-CD1 4.48Å; V198-F363 HydrophobicContact CG2-CD2 3.59Å; V198-F363 HydrophobicContact CG2-CE2 3.88Å; V198-F363 HydrophobicContact CG2-CG 3.92Å; V198-F363 HydrophobicContact CG2-CZ 4.43Å
199	S	92.3	Very high	92.9	Very high	107 Å²	107	55.2 Å²	55.2	75%	0.748	28%	0.281	S	S	*	.			trans	-94.6	-35.8	177.6	53	0	0	0	0	112.6
200	E	93	Very high	93.1	Very high	152 Å²	152	54 Å²	54	71%	0.71	28%	0.275	S	S	*	.			trans	-145.7	147	-176.2	59.8	175.2	-154.1	0	0	111.9
201	L	93.9	Very high	93.3	Very high	19 Å²	19	54 Å²	54	10%	0.099	28%	0.275	C	S	.	.			trans	-139.7	143	172.4	-79.1	175.1	0	0	0	109.3	F172 T175 T178 I179 I182 V198 V205 V208 K361 F363	F172-L201 HydrophobicContact CD1-CD1 4.39Å; F172-L201 HydrophobicContact CE1-CD1 4.28Å; T175-L201 HydrophobicContact CG2-CB 3.89Å; T175-L201 WeakPolarHBondContact CG2-O 3.3Å; T178-L201 HydrophobicContact CG2-CD1 3.99Å; I179-L201 HydrophobicContact CD1-CB 4.41Å; I179-L201 HydrophobicContact CG1-CB 4.36Å; I179-L201 HydrophobicContact CG1-CD1 3.98Å; I179-L201 HydrophobicContact CG1-CG 4.2Å; I182-L201 HydrophobicContact CD1-CD1 3.95Å; V198-L201 HydrophobicContact CG1-CD1 4.13Å; V198-L201 HydrophobicContact CG1-CD2 4.25Å; V198-L201 HydrophobicContact CG1-CG 3.76Å; L201-V205 HydrophobicContact CD2-CG1 4.48Å; L201-V205 HydrophobicContact CD2-CG2 4.36Å; L201-V208 HydrophobicContact CD1-CG2 4.18Å; L201-V208 HydrophobicContact CD2-CG2 3.82Å; L201-K361 HydrophobicContact CD2-CB 4.34Å; L201-K361 HydrophobicContact CD2-CG 4.09Å; L201-F363 HydrophobicContact CD2-CE2 3.98Å; L201-F363 HydrophobicContact CD2-CZ 4.07Å
202	K	92.7	Very high	93.3	Very high	146 Å²	146	48 Å²	48	64%	0.635	25%	0.253	S	S	*	.			trans	-84.5	155.1	170	-63.1	-177.2	179.8	-178.1	0	109.9	D204 V205	K202-D204 VanDerWaalsContact C-N 3.27Å; K202-D204 WeakPolarHBondContact CB-OD1 3.39Å; K202-D204 PolarHBondContact O-N 2.87Å; K202-V205 HydrophobicContact CB-CG2 4.2Å; K202-V205 WeakPolarHBondContact O-CB 3.21Å; K202-V205 WeakPolarHBondContact O-CG2 3.42Å; K202-V205 PolarHBondContact O-N 3.18Å
203	K	91.3	Very high	93.3	Very high	138 Å²	138	46.6 Å²	46.6	60%	0.6	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.7	-178.1	-64.8	-179	179.6	-178.1	0	113.9	Y173 V205	Y173-K203 HydrophobicContact CD1-CB 4.44Å; K203-V205 VanDerWaalsContact C-N 3.33Å
204	D	91.9	Very high	93.3	Very high	102 Å²	102	43.6 Å²	43.6	55%	0.545	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.4	178.2	59.9	-11.7	0	0	0	113.2	K202 L206 A359	K202-D204 VanDerWaalsContact C-N 3.27Å; K202-D204 WeakPolarHBondContact CB-OD1 3.39Å; K202-D204 PolarHBondContact O-N 2.87Å; D204-L206 PolarHBondContact O-N 3.47Å; D204-A359 VanDerWaalsContact O-CB 3.27Å; D204-A359 WeakPolarHBondContact O-CB 3.18Å
205	V	94.3	Very high	93.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	23%	0.227	C	C	.	.			trans	-62.1	131.7	176.6	176.3	0	0	0	0	110	F172 L201 K202 K203 M207 V208 A359 K361	F172-V205 VanDerWaalsContact CB-O 3.24Å; F172-V205 WeakPolarHBondContact CB-O 3.34Å; F172-V205 HydrophobicContact CD1-CB 4.24Å; F172-V205 HydrophobicContact CD1-CG1 4.08Å; F172-V205 WeakPolarHBondContact CD2-O 3.28Å; F172-V205 HydrophobicContact CE1-CG1 3.94Å; F172-V205 WeakPolarHBondContact CG-O 3.46Å; F172-V205 HydrophobicContact CZ-CG1 4.26Å; L201-V205 HydrophobicContact CD2-CG1 4.48Å; L201-V205 HydrophobicContact CD2-CG2 4.36Å; K202-V205 HydrophobicContact CB-CG2 4.2Å; K202-V205 WeakPolarHBondContact O-CB 3.21Å; K202-V205 WeakPolarHBondContact O-CG2 3.42Å; K202-V205 PolarHBondContact O-N 3.18Å; K203-V205 VanDerWaalsContact C-N 3.33Å; V205-M207 WeakPolarHBondContact CG1-O 3.25Å; V205-V208 HydrophobicContact CG1-CG2 3.65Å; V205-A359 WeakPolarHBondContact CA-O 3.26Å; V205-K361 HydrophobicContact CG1-CG 4.04Å; V205-K361 HydrophobicContact CG2-CD 4.37Å; V205-K361 HydrophobicContact CG2-CG 3.66Å
206	L	94.5	Very high	93.2	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.147	22%	0.221	C	C	.	.			trans	-108.3	-21.9	178.5	-63.4	176.9	0	0	0	112.7	S146 F172 D204 Q355 L357 A359	S146-L206 PolarHBondContact N-O 3.25Å; F172-L206 VanDerWaalsContact CE2-C 3.49Å; F172-L206 VanDerWaalsContact CE2-O 3.3Å; F172-L206 WeakPolarHBondContact CE2-O 3.46Å; D204-L206 PolarHBondContact O-N 3.47Å; L206-Q355 HydrophobicContact CD1-CG 4.49Å; L206-L357 HydrophobicContact CB-CD2 4.05Å; L206-A359 PolarHBondContact N-O 3.46Å
207	M	96.6	Very high	93.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	137.7	-177.6	-169.2	176.7	75.7	0	0	111.2	L89 L143 F144 L145 V205 L348 I351 L357 S360 K361	L89-M207 HydrophobicContact CD1-CE 4.07Å; L143-M207 HydrophobicContact CD1-CG 4.38Å; L143-M207 HydrophobicContact CD1-SD 3.76Å; L143-M207 HydrophobicContact CD2-CG 3.63Å; L143-M207 HydrophobicContact CD2-SD 3.77Å; L143-M207 HydrophobicContact CG-CG 3.9Å; L143-M207 HydrophobicContact CG-SD 3.94Å; F144-M207 CarbonylContact O-C 3.48Å; F144-M207 VanDerWaalsContact O-CA 3.29Å; F144-M207 WeakPolarHBondContact O-CA 3.16Å; L145-M207 HydrophobicContact CD1-CB 4.36Å; L145-M207 HydrophobicContact CD1-CG 4.4Å; V205-M207 WeakPolarHBondContact CG1-O 3.25Å; M207-L348 HydrophobicContact CE-CD1 3.96Å; M207-I351 HydrophobicContact CE-CD1 4.36Å; M207-I351 HydrophobicContact SD-CD1 3.81Å; M207-L357 HydrophobicContact SD-CD1 3.99Å; M207-S360 WeakPolarHBondContact CE-OG 3.07Å; M207-S360 WeakPolarHBondContact O-CA 3.42Å; M207-K361 PolarHBondContact O-N 2.98Å
208	V	97.7	Very high	93.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.9	170.7	179.9	0	0	0	0	109.5	L143 F144 F172 I182 L201 V205 V210 K361 F363	L143-V208 WeakPolarHBondContact CA-O 3.4Å; F144-V208 HydrophobicContact CB-CB 4.39Å; F144-V208 PolarHBondContact N-O 3.02Å; F144-V208 PolarHBondContact O-N 3.4Å; F172-V208 HydrophobicContact CE1-CB 4.39Å; F172-V208 HydrophobicContact CE1-CG2 3.47Å; F172-V208 VanDerWaalsContact CE1-CG2 3.47Å; F172-V208 HydrophobicContact CZ-CB 4.38Å; F172-V208 HydrophobicContact CZ-CG2 3.8Å; I182-V208 HydrophobicContact CD1-CB 4.24Å; I182-V208 HydrophobicContact CD1-CG1 4.08Å; I182-V208 HydrophobicContact CD1-CG2 4.39Å; L201-V208 HydrophobicContact CD1-CG2 4.18Å; L201-V208 HydrophobicContact CD2-CG2 3.82Å; V205-V208 HydrophobicContact CG1-CG2 3.65Å; V208-V210 HydrophobicContact CG1-CG1 3.99Å; V208-K361 WeakPolarHBondContact CA-O 3.46Å; V208-K361 HydrophobicContact CG2-CB 4.27Å; V208-F363 HydrophobicContact CG1-CD2 3.73Å; V208-F363 HydrophobicContact CG1-CE2 3.77Å
209	L	97.8	Very high	93.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.9	169.4	176.3	65.4	0	0	0	109.5	A85 Y86 M88 L89 L143 K361 S362 F363	A85-L209 HydrophobicContact CB-CD1 4.5Å; A85-L209 HydrophobicContact CB-CD2 4.32Å; Y86-L209 HydrophobicContact CD2-CD2 4.24Å; Y86-L209 HydrophobicContact CE2-CD2 3.88Å; M88-L209 HydrophobicContact CE-CD1 3.81Å; L89-L209 HydrophobicContact CB-CD2 4.48Å; L89-L209 HydrophobicContact CD2-CD2 4.1Å; L143-L209 HydrophobicContact CB-CD1 4.35Å; L209-K361 PolarHBondContact N-O 2.95Å; L209-S362 CarbonylContact O-C 3.31Å; L209-S362 WeakPolarHBondContact O-CA 3.14Å; L209-S362 PolarHBondContact O-OG 3.49Å; L209-F363 PolarHBondContact O-N 2.77Å
210	V	97.5	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.7	170.4	-58.3	0	0	0	0	110.3	S141 A142 F144 I182 V186 L197 V198 V208 F363	S141-V210 CarbonylContact C-O 3.59Å; S141-V210 WeakPolarHBondContact CA-O 3.17Å; A142-V210 HydrophobicContact CB-CG2 3.82Å; A142-V210 PolarHBondContact N-O 3.08Å; A142-V210 PolarHBondContact O-N 2.89Å; F144-V210 HydrophobicContact CE2-CG2 3.79Å; I182-V210 HydrophobicContact CG2-CG1 3.69Å; V186-V210 HydrophobicContact CG2-CB 4.42Å; V186-V210 HydrophobicContact CG2-CG2 3.9Å; L197-V210 HydrophobicContact CD2-CB 3.65Å; L197-V210 HydrophobicContact CD2-CG1 3.6Å; V198-V210 HydrophobicContact CG2-CG1 4.5Å; V208-V210 HydrophobicContact CG1-CG1 3.99Å; V210-F363 WeakPolarHBondContact CA-O 3.48Å; V210-F363 HydrophobicContact CG1-CB 4.39Å; V210-F363 HydrophobicContact CG1-CD2 4.43Å
211	N	94.6	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.9	171.7	69.9	-74.7	0	0	0	110.2	S81 I82 A85 G140 F363 H364	S81-N211 PolarHBondContact OG-ND2 2.72Å; I82-N211 WeakPolarHBondContact CG1-ND2 3.41Å; I82-N211 PolarHBondContact N-ND2 3.07Å; A85-N211 HydrophobicContact CB-CB 3.59Å; G140-N211 WeakPolarHBondContact O-CA 3.42Å; N211-F363 PolarHBondContact N-O 2.8Å; N211-F363 VanDerWaalsContact N-O 3.17Å; N211-F363 PolarHBondContact OD1-O 2.82Å; N211-H364 PolarHBondContact ND2-ND1 3.38Å; N211-H364 PolarHBondContact O-ND1 2.92Å; N211-H364 WeakPolarHBondContact OD1-CB 3.41Å
212	Y	91.7	Very high	93.3	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	164.7	-176.2	51.1	-96.5	0	0	0	109.7	G140 H185 V186 E189 T190	G140-Y212 PolarHBondContact N-O 3.34Å; G140-Y212 PolarHBondContact O-N 2.56Å; H185-Y212 PolarHBondContact NE2-OH 2.68Å; V186-Y212 HydrophobicContact CB-CD1 4.32Å; V186-Y212 HydrophobicContact CG1-CD1 3.94Å; V186-Y212 HydrophobicContact CG1-CG 4.17Å; V186-Y212 HydrophobicContact CG2-CD1 3.8Å; V186-Y212 HydrophobicContact CG2-CE1 4.04Å; E189-Y212 HydrophobicContact CB-CD2 4.34Å; E189-Y212 HydrophobicContact CB-CE1 4.43Å; E189-Y212 HydrophobicContact CB-CE2 3.46Å; E189-Y212 VanDerWaalsContact CB-CE2 3.46Å; E189-Y212 WeakPolarHBondContact CB-OH 3.32Å; E189-Y212 HydrophobicContact CG-CE2 4.27Å; E189-Y212 VanDerWaalsContact CG-OH 3.25Å; E189-Y212 WeakPolarHBondContact CG-OH 3.38Å; T190-Y212 HydrophobicContact CG2-CD2 3.69Å; T190-Y212 HydrophobicContact CG2-CG 3.95Å
213	I	90.4	Very high	93.5	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.1	172.3	178.7	170.5	0	0	0	108.3	S78 R138 V139 F417	S78-I213 VanDerWaalsContact CB-CG2 3.45Å; R138-I213 CarbonylContact O-C 3.56Å; R138-I213 WeakPolarHBondContact O-CA 3.45Å; V139-I213 HydrophobicContact CG2-CB 4.49Å; V139-I213 HydrophobicContact CG2-CD1 3.83Å; V139-I213 HydrophobicContact CG2-CG1 4.07Å; I213-F417 HydrophobicContact CB-CZ 4.14Å; I213-F417 HydrophobicContact CD1-CE1 4.49Å; I213-F417 HydrophobicContact CD1-CE2 3.71Å; I213-F417 HydrophobicContact CD1-CZ 3.7Å; I213-F417 HydrophobicContact CG1-CE2 4.26Å; I213-F417 HydrophobicContact CG1-CZ 3.82Å; I213-F417 HydrophobicContact CG2-CD1 4.29Å; I213-F417 HydrophobicContact CG2-CE1 3.25Å; I213-F417 HydrophobicContact CG2-CE2 4.32Å; I213-F417 HydrophobicContact CG2-CZ 3.27Å
214	Y	89.1	Confident	93.6	Very high	15 Å²	15	27.5 Å²	27.5	6%	0.059	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.8	167.2	175.3	-109.8	0	0	0	108.2	E136 T137 R138 T190 R191 K193 K216	E136-Y214 HydrophobicContact CB-CD1 4.48Å; E136-Y214 HydrophobicContact CB-CE1 4.03Å; T137-Y214 WeakPolarHBondContact CA-O 3.27Å; R138-Y214 PolarHBondContact N-O 3.49Å; R138-Y214 PolarHBondContact O-N 3.16Å; T190-Y214 WeakPolarHBondContact O-CD2 3.44Å; R191-Y214 HydrophobicContact CB-CE2 4.19Å; R191-Y214 HydrophobicContact CG-CE2 4.39Å; R191-Y214 PolarHBondContact NH1-OH 3.41Å; K193-Y214 HydrophobicContact CG-CD2 4.49Å; K193-Y214 HydrophobicContact CG-CE2 4.25Å; Y214-K216 HydrophobicContact CE1-CB 4.15Å; Y214-K216 WeakPolarHBondContact OH-CD 3.46Å
215	F	88.9	Confident	93.7	Very high	22 Å²	22	26.3 Å²	26.3	10%	0.096	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.3	179.9	-174.9	-98.5	0	0	0	110.2	L135 E136 T137 A217 Y270 A274 T375 I407 L416 F417	L135-F215 HydrophobicContact CD1-CD2 4.44Å; L135-F215 HydrophobicContact CD1-CE2 3.66Å; L135-F215 HydrophobicContact CD1-CZ 3.98Å; E136-F215 WeakPolarHBondContact O-CA 3.38Å; T137-F215 HydrophobicContact CG2-CD2 3.39Å; T137-F215 HydrophobicContact CG2-CE2 3.54Å; F215-A217 HydrophobicContact CD1-CB 4.45Å; F215-A217 HydrophobicContact CE1-CB 3.58Å; F215-A217 HydrophobicContact CE2-CB 4.38Å; F215-A217 HydrophobicContact CZ-CB 3.53Å; F215-Y270 HydrophobicContact CE1-CD2 4.4Å; F215-Y270 AromaticContact CE1-CE2 3.73Å; F215-Y270 HydrophobicContact CE1-CE2 3.73Å; F215-Y270 AromaticContact CE1-CZ 3.97Å; F215-Y270 AromaticContact CZ-CD2 3.92Å; F215-Y270 HydrophobicContact CZ-CD2 3.92Å; F215-Y270 AromaticContact CZ-CE2 3.62Å; F215-Y270 HydrophobicContact CZ-CE2 3.62Å; F215-A274 HydrophobicContact CE2-CB 4.39Å; F215-A274 HydrophobicContact CZ-CB 4.3Å; F215-T375 HydrophobicContact CD1-CG2 3.98Å; F215-T375 HydrophobicContact CE1-CG2 3.71Å; F215-I407 HydrophobicContact CE1-CD1 4.2Å; F215-I407 HydrophobicContact CE1-CG2 4.35Å; F215-I407 HydrophobicContact CE2-CG2 4.16Å; F215-I407 HydrophobicContact CZ-CG2 3.82Å; F215-L416 HydrophobicContact CD2-CD1 4.32Å; F215-L416 HydrophobicContact CE2-CD1 3.86Å; F215-F417 HydrophobicContact CB-CE2 3.49Å; F215-F417 VanDerWaalsContact CB-CE2 3.49Å; F215-F417 HydrophobicContact CB-CZ 3.61Å; F215-F417 HydrophobicContact CD1-CE2 4.25Å; F215-F417 AromaticContact CD2-CE2 3.86Å; F215-F417 HydrophobicContact CD2-CE2 3.86Å; F215-F417 AromaticContact CG-CE2 3.61Å; F215-F417 HydrophobicContact CG-CE2 3.61Å; F215-F417 HydrophobicContact CG-CZ 4.24Å
216	K	89.3	Confident	93.7	Very high	46 Å²	46	31 Å²	31	20%	0.2	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.9	173.5	166	173.9	163.6	166.4	0	107.8	L135 E136 Y214 T375 E376	L135-K216 CarbonylContact C-O 3.58Å; L135-K216 WeakPolarHBondContact CA-O 2.96Å; E136-K216 HydrophobicContact CB-CB 4.34Å; E136-K216 PolarHBondContact N-O 3.38Å; E136-K216 PolarHBondContact O-N 2.85Å; Y214-K216 HydrophobicContact CE1-CB 4.15Å; Y214-K216 WeakPolarHBondContact OH-CD 3.46Å; K216-T375 WeakPolarHBondContact CA-OG1 3.43Å; K216-E376 HydrophobicContact CD-CB 4.44Å; K216-E376 HydrophobicContact CD-CG 4.43Å; K216-E376 WeakPolarHBondContact CE-OE1 3.26Å; K216-E376 WeakPolarHBondContact CE-OE2 3.38Å; K216-E376 HydrophobicContact CG-CB 4.23Å; K216-E376 IonicContact NZ-OE1 3.18Å; K216-E376 PolarHBondContact NZ-OE1 2.98Å; K216-E376 IonicContact NZ-OE2 2.68Å; K216-E376 PolarHBondContact NZ-OE2 3.29Å
217	A	91.4	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.4	-178.6	0	0	0	0	0	110.6	G134 L135 F215 Y270 G374 T375	G134-A217 WeakPolarHBondContact O-CA 3.33Å; L135-A217 HydrophobicContact CD1-CB 3.65Å; F215-A217 HydrophobicContact CD1-CB 4.45Å; F215-A217 HydrophobicContact CE1-CB 3.58Å; F215-A217 HydrophobicContact CE2-CB 4.38Å; F215-A217 HydrophobicContact CZ-CB 3.53Å; A217-Y270 HydrophobicContact CB-CD1 3.44Å; A217-Y270 VanDerWaalsContact CB-CD1 3.44Å; A217-Y270 HydrophobicContact CB-CD2 3.8Å; A217-Y270 HydrophobicContact CB-CE1 3.79Å; A217-Y270 HydrophobicContact CB-CE2 4.1Å; A217-Y270 HydrophobicContact CB-CG 3.46Å; A217-Y270 VanDerWaalsContact CB-CG 3.46Å; A217-G374 CarbonylContact O-C 3.49Å; A217-G374 VanDerWaalsContact O-CA 3.28Å; A217-G374 WeakPolarHBondContact O-CA 3.3Å; A217-T375 PolarHBondContact N-OG1 3.17Å; A217-T375 PolarHBondContact O-N 2.61Å
218	L	92.8	Very high	93.9	Very high	53 Å²	53	34.4 Å²	34.4	28%	0.277	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-100.8	140.8	173.6	-63.8	177.6	0	0	0	110.4	G134 Y270 K271 A373	G134-L218 PolarHBondContact O-N 3.2Å; L218-Y270 CarbonylContact O-C 3.58Å; L218-Y270 WeakPolarHBondContact O-CA 3.4Å; L218-Y270 WeakPolarHBondContact O-CB 3.41Å; L218-Y270 WeakPolarHBondContact O-CD1 3.4Å; L218-K271 HydrophobicContact CB-CD 4.15Å; L218-K271 HydrophobicContact CB-CG 4.41Å; L218-K271 PolarHBondContact O-N 3.47Å; L218-A373 CarbonylContact C-O 3.58Å; L218-A373 WeakPolarHBondContact CA-O 3.28Å; L218-A373 HydrophobicContact CD2-CB 4.43Å
219	W	94.2	Very high	93.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-61.3	140.7	174.1	-67.2	128.3	0	0	0	111.1	K221 P222 M268 Y270 V276 F278 V370 D371 A373 G374	W219-K221 PolarHBondContact O-N 2.81Å; W219-P222 HydrophobicContact CB-CB 4.46Å; W219-M268 HydrophobicContact CD2-CE 4.23Å; W219-M268 HydrophobicContact CE3-CB 4.26Å; W219-M268 HydrophobicContact CE3-CE 4.22Å; W219-M268 HydrophobicContact CZ3-CB 3.88Å; W219-Y270 HydrophobicContact CD2-CD1 4.01Å; W219-Y270 AromaticContact CD2-CE1 3.72Å; W219-Y270 HydrophobicContact CD2-CE1 3.72Å; W219-Y270 AromaticContact CE2-CE1 3.96Å; W219-Y270 AromaticContact CE3-CD1 3.38Å; W219-Y270 HydrophobicContact CE3-CD1 3.38Å; W219-Y270 AromaticContact CE3-CE1 3.26Å; W219-Y270 HydrophobicContact CE3-CE1 3.26Å; W219-Y270 HydrophobicContact CE3-CG 4.22Å; W219-Y270 HydrophobicContact CH2-CD1 4.29Å; W219-Y270 AromaticContact CH2-CE1 3.37Å; W219-Y270 HydrophobicContact CH2-CE1 3.37Å; W219-Y270 HydrophobicContact CH2-CE2 4.34Å; W219-Y270 AromaticContact CH2-CZ 3.38Å; W219-Y270 WeakPolarHBondContact CH2-OH 3.5Å; W219-Y270 AromaticContact CZ2-CE1 3.8Å; W219-Y270 HydrophobicContact CZ2-CE1 3.8Å; W219-Y270 AromaticContact CZ3-CD1 3.57Å; W219-Y270 HydrophobicContact CZ3-CD1 3.57Å; W219-Y270 HydrophobicContact CZ3-CD2 4.39Å; W219-Y270 AromaticContact CZ3-CE1 3.08Å; W219-Y270 HydrophobicContact CZ3-CE1 3.08Å; W219-Y270 HydrophobicContact CZ3-CE2 4.03Å; W219-Y270 HydrophobicContact CZ3-CG 4.19Å; W219-Y270 AromaticContact CZ3-CZ 3.33Å; W219-V276 HydrophobicContact CH2-CB 4.4Å; W219-V276 HydrophobicContact CH2-CG2 3.85Å; W219-V276 HydrophobicContact CZ3-CB 4.44Å; W219-V276 HydrophobicContact CZ3-CG2 3.88Å; W219-F278 HydrophobicContact CH2-CE2 4.24Å; W219-F278 HydrophobicContact CH2-CZ 4.29Å; W219-V370 HydrophobicContact CZ2-CG1 4.24Å; W219-D371 PolarHBondContact NE1-O 2.82Å; W219-A373 VanDerWaalsContact CD1-C 3.47Å; W219-A373 PolarHBondContact N-O 3.19Å; W219-G374 VanDerWaalsContact CD1-CA 3.41Å; W219-G374 VanDerWaalsContact CD1-N 3.27Å
220	E	93.9	Very high	93.9	Very high	110 Å²	110	40.7 Å²	40.7	51%	0.514	22%	0.224	S	C	.	.	S	Bend	trans	-62.7	-35	168.2	-172.2	62.7	-159.9	0	0	110.3	D269 K271	E220-D269 HydrophobicContact CB-CB 4.2Å; E220-D269 VanDerWaalsContact CB-O 3.28Å; E220-D269 WeakPolarHBondContact CB-O 3.47Å; E220-D269 PolarHBondContact N-O 2.97Å; E220-K271 WeakPolarHBondContact OE2-CG 3.46Å
221	K	94.7	Very high	93.9	Very high	49 Å²	49	45.4 Å²	45.4	21%	0.213	25%	0.245	C	C	.	.	S	Bend	trans	-128	87.6	177	-63.9	175.9	-175.2	155.5	0	110.5	W219 Q248 E251 H252 Y311	W219-K221 PolarHBondContact O-N 2.81Å; K221-Q248 PolarHBondContact O-NE2 2.92Å; K221-E251 HydrophobicContact CD-CB 4.22Å; K221-E251 HydrophobicContact CD-CG 4.34Å; K221-H252 PolarHBondContact NZ-O 3.42Å; K221-Y311 PolarHBondContact NZ-OH 2.93Å
222	P	95	Very high	94.1	Very high	47 Å²	47	49 Å²	49	31%	0.305	26%	0.263	S	S	.	.			trans	-67.8	158.9	-176.3	28.9	-35.6	0	0	0	112.7	W219 Q248 E372	W219-P222 HydrophobicContact CB-CB 4.46Å; P222-Q248 PolarHBondContact O-NE2 3.5Å; P222-E372 CarbonylContact C-O 3.59Å; P222-E372 WeakPolarHBondContact CA-O 3.42Å; P222-E372 VanDerWaalsContact CB-O 3.3Å; P222-E372 WeakPolarHBondContact CB-O 3.34Å
223	F	95.3	Very high	94.4	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.026	26%	0.262	C	S	.	.			trans	-83.6	160.3	173.1	-62.6	-100.2	0	0	0	110.9	M246 Q248 M268 L316 L318 E372	F223-M246 HydrophobicContact CB-CB 4.25Å; F223-M246 HydrophobicContact CB-SD 4.4Å; F223-M246 HydrophobicContact CD1-CB 3.55Å; F223-M246 HydrophobicContact CD2-CE 3.98Å; F223-M246 HydrophobicContact CD2-SD 3.99Å; F223-M246 HydrophobicContact CE1-CB 3.97Å; F223-M246 HydrophobicContact CE2-CE 3.81Å; F223-M246 HydrophobicContact CE2-SD 4.44Å; F223-M246 HydrophobicContact CG-CB 3.87Å; F223-M246 HydrophobicContact CG-CE 4.44Å; F223-M246 HydrophobicContact CG-SD 4.12Å; F223-M246 HydrophobicContact CZ-CE 4.15Å; F223-Q248 HydrophobicContact CD1-CB 3.62Å; F223-Q248 HydrophobicContact CE1-CB 3.68Å; F223-M268 HydrophobicContact CE2-CE 3.71Å; F223-M268 HydrophobicContact CZ-CE 3.87Å; F223-M268 HydrophobicContact CZ-SD 4.34Å; F223-L316 HydrophobicContact CE1-CD2 4.14Å; F223-L316 HydrophobicContact CE1-CG 4.37Å; F223-L316 HydrophobicContact CZ-CD2 3.88Å; F223-L316 HydrophobicContact CZ-CG 4.49Å; F223-L318 HydrophobicContact CE1-CB 4.37Å; F223-L318 HydrophobicContact CE2-CD2 4.27Å; F223-L318 HydrophobicContact CZ-CB 4.04Å; F223-L318 HydrophobicContact CZ-CD2 3.96Å; F223-E372 HydrophobicContact CB-CB 3.92Å; F223-E372 HydrophobicContact CB-CG 3.93Å; F223-E372 PolarHBondContact N-O 2.89Å
224	I	94.6	Very high	94.8	Very high	71 Å²	71	53.5 Å²	53.5	36%	0.364	28%	0.281	S	S	.	.			trans	-96.2	112.8	174.6	-57.7	173.6	0	0	0	108.2	S226 R227	I224-S226 VanDerWaalsContact C-N 3.27Å; I224-S226 VanDerWaalsContact CG2-OG 3.29Å; I224-S226 WeakPolarHBondContact CG2-OG 3.47Å; I224-S226 PolarHBondContact O-N 3.03Å; I224-R227 HydrophobicContact CB-CG 4.4Å; I224-R227 HydrophobicContact CG2-CG 4.37Å; I224-R227 WeakPolarHBondContact O-CB 3.43Å; I224-R227 PolarHBondContact O-N 3.33Å
225	S	93.8	Very high	95.2	Very high	77 Å²	77	53.6 Å²	53.6	54%	0.538	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-59.7	-31.2	-175.3	57.6	0	0	0	0	114.6	R227 T228	S225-R227 PolarHBondContact O-N 3.46Å; S225-R227 VanDerWaalsContact O-N 3.12Å; S225-T228 WeakPolarHBondContact O-CB 3.38Å; S225-T228 PolarHBondContact O-N 2.92Å
226	S	95	Very high	95.4	Very high	105 Å²	105	56.2 Å²	56.2	73%	0.734	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65.9	-12.2	175.1	63.4	0	0	0	0	113.9	I224	I224-S226 VanDerWaalsContact C-N 3.27Å; I224-S226 VanDerWaalsContact CG2-OG 3.29Å; I224-S226 WeakPolarHBondContact CG2-OG 3.47Å; I224-S226 PolarHBondContact O-N 3.03Å
227	R	96.1	Very high	95.5	Very high	74 Å²	74	60.9 Å²	60.9	28%	0.279	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-100.3	-4.7	175.1	-62	-170	64.8	177.4	-2.2	113.6	I224 S225 T229 L247 D249	I224-R227 HydrophobicContact CB-CG 4.4Å; I224-R227 HydrophobicContact CG2-CG 4.37Å; I224-R227 WeakPolarHBondContact O-CB 3.43Å; I224-R227 PolarHBondContact O-N 3.33Å; S225-R227 PolarHBondContact O-N 3.46Å; S225-R227 VanDerWaalsContact O-N 3.12Å; R227-T229 PolarHBondContact O-N 2.9Å; R227-L247 HydrophobicContact CB-CB 4.4Å; R227-D249 IonicContact CZ-OD1 3.52Å; R227-D249 IonicContact CZ-OD2 3.41Å; R227-D249 VanDerWaalsContact NH1-CG 3.28Å; R227-D249 IonicContact NH1-OD1 2.67Å; R227-D249 PolarHBondContact NH1-OD1 3.42Å; R227-D249 IonicContact NH1-OD2 3.22Å; R227-D249 PolarHBondContact NH1-OD2 3.39Å; R227-D249 IonicContact NH2-OD1 3.58Å; R227-D249 IonicContact NH2-OD2 2.7Å; R227-D249 PolarHBondContact NH2-OD2 2.89Å
228	T	97.4	Very high	95.7	Very high	28 Å²	28	68.1 Å²	68.1	17%	0.172	36%	0.359	C	S	.	.			trans	-72.8	120	173.9	-59.1	0	0	0	0	109.1	S225 P244 M245 M246 E372	S225-T228 WeakPolarHBondContact O-CB 3.38Å; S225-T228 PolarHBondContact O-N 2.92Å; T228-P244 HydrophobicContact CG2-CB 3.87Å; T228-M245 WeakPolarHBondContact CA-O 3.46Å; T228-M246 HydrophobicContact CG2-CG 4.23Å; T228-E372 VanDerWaalsContact CB-OE1 3.32Å; T228-E372 WeakPolarHBondContact CB-OE1 3.43Å; T228-E372 PolarHBondContact OG1-OE1 2.76Å
229	T	97.7	Very high	95.9	Very high	64 Å²	64	68.4 Å²	68.4	39%	0.393	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.9	179.7	54.8	0	0	0	0	111	R227 K231 M245	R227-T229 PolarHBondContact O-N 2.9Å; T229-K231 PolarHBondContact O-N 2.97Å; T229-M245 PolarHBondContact N-O 2.96Å; T229-M245 VanDerWaalsContact N-O 3.11Å; T229-M245 WeakPolarHBondContact O-CB 3.45Å; T229-M245 PolarHBondContact O-N 3.17Å
230	P	98.3	Very high	96.1	Very high	70 Å²	70	71.9 Å²	71.9	46%	0.455	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	125.9	173.7	-27	37	0	0	0	112.2	R242 V243	P230-R242 PolarHBondContact O-NH1 3.42Å; P230-V243 CarbonylContact C-O 3.59Å; P230-V243 WeakPolarHBondContact CA-O 3.43Å
231	K	98.5	Very high	96.2	Very high	100 Å²	100	67.9 Å²	67.9	44%	0.435	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	167	176	-62.7	-69	-176	179	0	110.7	T229 R242 V243 M245	T229-K231 PolarHBondContact O-N 2.97Å; K231-R242 WeakPolarHBondContact O-CA 3.36Å; K231-V243 PolarHBondContact N-O 2.95Å; K231-V243 PolarHBondContact O-N 3.22Å; K231-M245 HydrophobicContact CB-CB 3.68Å; K231-M245 HydrophobicContact CB-CE 4.38Å; K231-M245 HydrophobicContact CB-CG 4.21Å; K231-M245 HydrophobicContact CG-CB 3.56Å; K231-M245 HydrophobicContact CG-CG 4.07Å
232	D	98.4	Very high	96.4	Very high	74 Å²	74	73.2 Å²	73.2	40%	0.396	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.5	179.1	-58.2	-22.2	0	0	0	111	Y234 T240	D232-Y234 HydrophobicContact CB-CE1 4.41Å; D232-T240 HydrophobicContact CB-CG2 3.74Å
233	F	98.6	Very high	96.6	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.4	169.7	-170	-75.7	0	0	0	108.7	V235 T240 V241 V243 P319 F399 N400 R401 F403 V422 P424	F233-V235 HydrophobicContact CD1-CG2 4.16Å; F233-V235 PolarHBondContact O-N 3.45Å; F233-T240 WeakPolarHBondContact O-CA 3.46Å; F233-V241 HydrophobicContact CB-CG2 3.96Å; F233-V241 HydrophobicContact CD1-CG2 4.45Å; F233-V241 PolarHBondContact N-O 2.94Å; F233-V241 PolarHBondContact O-N 3.48Å; F233-V243 HydrophobicContact CB-CG1 4.04Å; F233-V243 HydrophobicContact CB-CG2 3.89Å; F233-V243 HydrophobicContact CD2-CG2 4.4Å; F233-P319 HydrophobicContact CE2-CG 4.38Å; F233-F399 WeakPolarHBondContact CD2-O 3.21Å; F233-F399 VanDerWaalsContact CE2-O 3.26Å; F233-F399 WeakPolarHBondContact CE2-O 3.23Å; F233-N400 CarbonylContact C-O 3.59Å; F233-N400 WeakPolarHBondContact CA-O 3.39Å; F233-R401 WeakPolarHBondContact CZ-O 3.5Å; F233-F403 HydrophobicContact CE2-CD1 4.2Å; F233-F403 AromaticContact CE2-CE1 3.89Å; F233-F403 HydrophobicContact CE2-CE1 3.89Å; F233-F403 HydrophobicContact CZ-CD1 4.22Å; F233-F403 HydrophobicContact CZ-CE1 4.16Å; F233-V422 VanDerWaalsContact CE1-O 3.26Å; F233-V422 WeakPolarHBondContact CE1-O 3.38Å; F233-P424 HydrophobicContact CD1-CG 4.07Å; F233-P424 HydrophobicContact CD2-CG 3.55Å; F233-P424 HydrophobicContact CE1-CG 4.01Å; F233-P424 HydrophobicContact CE2-CG 3.46Å; F233-P424 VanDerWaalsContact CE2-CG 3.46Å; F233-P424 HydrophobicContact CG-CG 3.85Å; F233-P424 HydrophobicContact CZ-CG 3.69Å
234	Y	98.1	Very high	96.7	Very high	110 Å²	110	73.8 Å²	73.8	43%	0.431	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	94.5	-176.8	-51.8	-72	0	0	0	109.2	D232 D236 T240 N400 R401 P402	D232-Y234 HydrophobicContact CB-CE1 4.41Å; Y234-D236 VanDerWaalsContact C-N 3.31Å; Y234-T240 HydrophobicContact CD1-CG2 4.12Å; Y234-T240 WeakPolarHBondContact CD1-OG1 3.3Å; Y234-T240 HydrophobicContact CE1-CG2 4.16Å; Y234-N400 VanDerWaalsContact CD2-O 3.26Å; Y234-N400 WeakPolarHBondContact CD2-O 3.26Å; Y234-N400 WeakPolarHBondContact CE2-ND2 3.44Å; Y234-N400 PolarHBondContact N-O 2.82Å; Y234-R401 WeakPolarHBondContact O-CA 3.26Å; Y234-P402 WeakPolarHBondContact O-CD 3.46Å
235	V	96.6	Very high	96.9	Very high	17 Å²	17	70.6 Å²	70.6	10%	0.103	38%	0.375	C	S	.	.	S	Bend	trans	-63.7	-42.8	-179	178.4	0	0	0	0	110.1	F233 T239 V241 P402 V422 D423	F233-V235 HydrophobicContact CD1-CG2 4.16Å; F233-V235 PolarHBondContact O-N 3.45Å; V235-T239 HydrophobicContact CB-CG2 4.35Å; V235-T239 PolarHBondContact N-O 3.38Å; V235-V241 HydrophobicContact CG2-CG1 4.03Å; V235-V241 HydrophobicContact CG2-CG2 3.8Å; V235-P402 VanDerWaalsContact O-CG 3.24Å; V235-P402 WeakPolarHBondContact O-CG 3.47Å; V235-V422 HydrophobicContact CG1-CG1 3.93Å; V235-D423 HydrophobicContact CG1-CB 4.27Å; V235-D423 HydrophobicContact CG2-CB 4.17Å
236	D	94.1	Very high	97.1	Very high	78 Å²	78	67 Å²	67	42%	0.417	35%	0.349	S	S	.	.	S	Bend	trans	-152.2	-175.4	171	54.6	53.4	0	0	0	108.9	Y234 N238 T239	Y234-D236 VanDerWaalsContact C-N 3.31Å; D236-N238 PolarHBondContact O-N 2.94Å; D236-N238 WeakPolarHBondContact OD1-CA 3.42Å; D236-N238 WeakPolarHBondContact OD1-CB 3.33Å; D236-N238 PolarHBondContact OD1-N 2.97Å; D236-T239 PolarHBondContact N-O 3.26Å; D236-T239 PolarHBondContact O-N 3.47Å; D236-T239 VanDerWaalsContact OD1-CB 3.23Å; D236-T239 WeakPolarHBondContact OD1-CB 3.08Å; D236-T239 PolarHBondContact OD1-N 2.96Å; D236-T239 PolarHBondContact OD1-OG1 3.37Å; D236-T239 PolarHBondContact OD2-OG1 2.93Å
237	E	91.8	Very high	97.2	Very high	143 Å²	143	63.5 Å²	63.5	67%	0.668	32%	0.322	S	S	*	.	S	Bend	trans	-62.6	-21	-179.6	-60.4	-63.6	148.9	0	0	113.2	Q283	E237-Q283 PolarHBondContact OE1-NE2 3.41Å; E237-Q283 PolarHBondContact OE2-NE2 2.85Å
238	N	95.1	Very high	97.2	Very high	152 Å²	152	60.7 Å²	60.7	81%	0.813	31%	0.312	S	S	*	.	S	Bend	trans	-106.8	-18.6	-173.1	-67.1	55	0	0	0	112.6	D236	D236-N238 PolarHBondContact O-N 2.94Å; D236-N238 WeakPolarHBondContact OD1-CA 3.42Å; D236-N238 WeakPolarHBondContact OD1-CB 3.33Å; D236-N238 PolarHBondContact OD1-N 2.97Å
239	T	96.5	Very high	97	Very high	60 Å²	60	60.3 Å²	60.3	37%	0.368	31%	0.309	S	S	.	.			trans	-125.5	116.1	-167.7	-46.9	0	0	0	0	110.8	V235 D236	V235-T239 HydrophobicContact CB-CG2 4.35Å; V235-T239 PolarHBondContact N-O 3.38Å; D236-T239 PolarHBondContact N-O 3.26Å; D236-T239 PolarHBondContact O-N 3.47Å; D236-T239 VanDerWaalsContact OD1-CB 3.23Å; D236-T239 WeakPolarHBondContact OD1-CB 3.08Å; D236-T239 PolarHBondContact OD1-N 2.96Å; D236-T239 PolarHBondContact OD1-OG1 3.37Å; D236-T239 PolarHBondContact OD2-OG1 2.93Å
240	T	97.6	Very high	96.5	Very high	75 Å²	75	59.7 Å²	59.7	46%	0.46	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.3	173.4	-57.9	0	0	0	0	109.9	D232 F233 Y234	D232-T240 HydrophobicContact CB-CG2 3.74Å; F233-T240 WeakPolarHBondContact O-CA 3.46Å; Y234-T240 HydrophobicContact CD1-CG2 4.12Å; Y234-T240 WeakPolarHBondContact CD1-OG1 3.3Å; Y234-T240 HydrophobicContact CE1-CG2 4.16Å
241	V	98	Very high	96.2	Very high	26 Å²	26	58.4 Å²	58.4	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	155.6	175.6	-60.2	0	0	0	0	110.5	F233 V235 V243 T425	F233-V241 HydrophobicContact CB-CG2 3.96Å; F233-V241 HydrophobicContact CD1-CG2 4.45Å; F233-V241 PolarHBondContact N-O 2.94Å; F233-V241 PolarHBondContact O-N 3.48Å; V235-V241 HydrophobicContact CG2-CG1 4.03Å; V235-V241 HydrophobicContact CG2-CG2 3.8Å; V241-V243 HydrophobicContact CG2-CG1 4.09Å; V241-T425 HydrophobicContact CB-CG2 4.06Å; V241-T425 HydrophobicContact CG2-CG2 3.91Å
242	R	98.1	Very high	96.1	Very high	161 Å²	161	56.8 Å²	56.8	61%	0.608	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.9	177.1	-73.6	-101.2	-64.3	175.6	0.5	109.5	P230 K231	P230-R242 PolarHBondContact O-NH1 3.42Å; K231-R242 WeakPolarHBondContact O-CA 3.36Å
243	V	98.1	Very high	96.1	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.6	179.5	-58.9	0	0	0	0	110.5	P230 K231 F233 V241 M245 P319 P424 T425	P230-V243 CarbonylContact C-O 3.59Å; P230-V243 WeakPolarHBondContact CA-O 3.43Å; K231-V243 PolarHBondContact N-O 2.95Å; K231-V243 PolarHBondContact O-N 3.22Å; F233-V243 HydrophobicContact CB-CG1 4.04Å; F233-V243 HydrophobicContact CB-CG2 3.89Å; F233-V243 HydrophobicContact CD2-CG2 4.4Å; V241-V243 HydrophobicContact CG2-CG1 4.09Å; V243-M245 HydrophobicContact CG2-CE 3.77Å; V243-M245 PolarHBondContact O-N 3.28Å; V243-P319 HydrophobicContact CG2-CB 4.04Å; V243-P424 HydrophobicContact CG1-CB 4.01Å; V243-P424 HydrophobicContact CG1-CG 4.09Å; V243-T425 HydrophobicContact CG1-CG2 3.65Å
244	P	98	Very high	96	Very high	62 Å²	62	55.5 Å²	55.5	40%	0.403	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	119.2	167.1	-12.5	27.1	0	0	0	108.9	T228 K320	T228-P244 HydrophobicContact CG2-CB 3.87Å; P244-K320 HydrophobicContact CB-CB 4.27Å; P244-K320 PolarHBondContact O-N 2.81Å
245	M	98.5	Very high	96.1	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.02	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.1	-177.1	-169.5	68.7	65.8	0	0	109.3	T228 T229 K231 V243 H317 P319 N400	T228-M245 WeakPolarHBondContact CA-O 3.46Å; T229-M245 PolarHBondContact N-O 2.96Å; T229-M245 VanDerWaalsContact N-O 3.11Å; T229-M245 WeakPolarHBondContact O-CB 3.45Å; T229-M245 PolarHBondContact O-N 3.17Å; K231-M245 HydrophobicContact CB-CB 3.68Å; K231-M245 HydrophobicContact CB-CE 4.38Å; K231-M245 HydrophobicContact CB-CG 4.21Å; K231-M245 HydrophobicContact CG-CB 3.56Å; K231-M245 HydrophobicContact CG-CG 4.07Å; V243-M245 HydrophobicContact CG2-CE 3.77Å; V243-M245 PolarHBondContact O-N 3.28Å; M245-H317 HydrophobicContact CG-CB 3.89Å; M245-H317 HydrophobicContact SD-CB 4Å; M245-P319 HydrophobicContact CE-CB 4.3Å; M245-P319 HydrophobicContact SD-CB 4.24Å; M245-P319 VanDerWaalsContact SD-N 3.38Å; M245-N400 HydrophobicContact CE-CB 4.14Å
246	M	98	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	145	175.5	-50.8	-177.3	-67.3	0	0	109.4	F223 T228 H317 L318 K320 V370 E372	F223-M246 HydrophobicContact CB-CB 4.25Å; F223-M246 HydrophobicContact CB-SD 4.4Å; F223-M246 HydrophobicContact CD1-CB 3.55Å; F223-M246 HydrophobicContact CD2-CE 3.98Å; F223-M246 HydrophobicContact CD2-SD 3.99Å; F223-M246 HydrophobicContact CE1-CB 3.97Å; F223-M246 HydrophobicContact CE2-CE 3.81Å; F223-M246 HydrophobicContact CE2-SD 4.44Å; F223-M246 HydrophobicContact CG-CB 3.87Å; F223-M246 HydrophobicContact CG-CE 4.44Å; F223-M246 HydrophobicContact CG-SD 4.12Å; F223-M246 HydrophobicContact CZ-CE 4.15Å; T228-M246 HydrophobicContact CG2-CG 4.23Å; M246-H317 WeakPolarHBondContact O-CA 3.26Å; M246-L318 WeakPolarHBondContact CA-O 3.41Å; M246-L318 VanDerWaalsContact CB-O 3.29Å; M246-L318 WeakPolarHBondContact CB-O 3.24Å; M246-L318 HydrophobicContact CE-CB 4.19Å; M246-L318 HydrophobicContact CE-CD2 3.98Å; M246-L318 HydrophobicContact CE-CG 4.2Å; M246-L318 PolarHBondContact N-O 3.36Å; M246-L318 PolarHBondContact O-N 2.79Å; M246-L318 VanDerWaalsContact O-N 3.11Å; M246-K320 HydrophobicContact CG-CB 3.89Å; M246-K320 HydrophobicContact SD-CB 4.05Å; M246-V370 HydrophobicContact CE-CG1 3.89Å; M246-E372 HydrophobicContact CG-CG 4.14Å; M246-E372 HydrophobicContact SD-CB 4.34Å; M246-E372 HydrophobicContact SD-CG 3.78Å; M246-E372 PolarHBondContact SD-N 3.46Å; M246-E372 VanDerWaalsContact SD-N 3.42Å
247	L	97.2	Very high	96.3	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.168	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.1	-178	177.7	57.3	0	0	0	111	R227 E315 L316 H317	R227-L247 HydrophobicContact CB-CB 4.4Å; L247-E315 HydrophobicContact CD1-CG 3.93Å; L247-L316 WeakPolarHBondContact CA-O 3.23Å; L247-H317 WeakPolarHBondContact CD1-NE2 3.44Å
248	Q	95.7	Very high	96.6	Very high	15 Å²	15	45.1 Å²	45.1	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	119.7	173.1	-171.5	176.7	53.1	0	0	109.4	K221 P222 F223 E251 H253 L316	K221-Q248 PolarHBondContact O-NE2 2.92Å; P222-Q248 PolarHBondContact O-NE2 3.5Å; F223-Q248 HydrophobicContact CD1-CB 3.62Å; F223-Q248 HydrophobicContact CE1-CB 3.68Å; Q248-E251 HydrophobicContact CG-CB 4.17Å; Q248-E251 HydrophobicContact CG-CG 3.98Å; Q248-H253 PolarHBondContact OE1-CE1 3.48Å; Q248-H253 PolarHBondContact OE1-NE2 3.25Å; Q248-L316 PolarHBondContact N-O 2.96Å; Q248-L316 PolarHBondContact O-N 2.79Å
249	D	94.1	Very high	96.6	Very high	21 Å²	21	48 Å²	48	11%	0.112	23%	0.225	C	C	.	.			trans	-132.7	-3.9	-174.5	61.9	-2.4	0	0	0	113.7	R227 E315 N393	R227-D249 IonicContact CZ-OD1 3.52Å; R227-D249 IonicContact CZ-OD2 3.41Å; R227-D249 VanDerWaalsContact NH1-CG 3.28Å; R227-D249 IonicContact NH1-OD1 2.67Å; R227-D249 PolarHBondContact NH1-OD1 3.42Å; R227-D249 IonicContact NH1-OD2 3.22Å; R227-D249 PolarHBondContact NH1-OD2 3.39Å; R227-D249 IonicContact NH2-OD1 3.58Å; R227-D249 IonicContact NH2-OD2 2.7Å; R227-D249 PolarHBondContact NH2-OD2 2.89Å; D249-E315 HydrophobicContact CB-CB 4.27Å; D249-E315 HydrophobicContact CB-CG 4.08Å; D249-N393 PolarHBondContact O-ND2 3.42Å
250	Q	87.6	Confident	96.5	Very high	51 Å²	51	54.3 Å²	54.3	24%	0.238	24%	0.243	C	C	.	.	S	Bend	trans	-91.4	-12.9	179.2	-57.1	-50.4	-50.9	0	0	113.1	Q391	Q250-Q391 PolarHBondContact O-NE2 3.19Å
251	E	92.2	Very high	96.5	Very high	43 Å²	43	52.1 Å²	52.1	20%	0.201	23%	0.229	C	C	.	.	S	Bend	trans	-101.9	157.1	-170.6	-63	-59.4	152.2	0	0	113	K221 Q248 K386	K221-E251 HydrophobicContact CD-CB 4.22Å; K221-E251 HydrophobicContact CD-CG 4.34Å; Q248-E251 HydrophobicContact CG-CB 4.17Å; Q248-E251 HydrophobicContact CG-CG 3.98Å; E251-K386 IonicContact OE1-NZ 2.83Å; E251-K386 PolarHBondContact OE1-NZ 3.16Å
252	H	95.8	Very high	96.5	Very high	65 Å²	65	52.4 Å²	52.4	30%	0.301	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.8	165.7	-66.9	71	0	0	0	109.2	K221 Y311 K312 K313	K221-H252 PolarHBondContact NZ-O 3.42Å; H252-Y311 HydrophobicContact CB-CD1 3.92Å; H252-Y311 HydrophobicContact CB-CD2 4.27Å; H252-Y311 HydrophobicContact CB-CE1 3.48Å; H252-Y311 VanDerWaalsContact CB-CE1 3.48Å; H252-Y311 HydrophobicContact CB-CE2 3.85Å; H252-Y311 HydrophobicContact CB-CG 4.33Å; H252-Y311 VanDerWaalsContact CB-CZ 3.45Å; H252-Y311 WeakPolarHBondContact O-CE2 3.39Å; H252-K312 WeakPolarHBondContact CA-O 3.48Å; H252-K313 PolarHBondContact CD2-N 2.9Å; H252-K313 VanDerWaalsContact NE2-CG 3.31Å; H252-K313 WeakPolarHBondContact NE2-CG 3.19Å
253	H	97.8	Very high	96.5	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.032	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153	178.2	-72.6	-90.4	0	0	0	111.1	Q248 Y255 L266 F310 Y311 K312 L314	Q248-H253 PolarHBondContact OE1-CE1 3.48Å; Q248-H253 PolarHBondContact OE1-NE2 3.25Å; H253-Y255 HydrophobicContact CB-CD1 4.33Å; H253-Y255 PolarHBondContact O-N 2.78Å; H253-L266 HydrophobicContact CB-CD1 3.88Å; H253-F310 VanDerWaalsContact O-O 3.1Å; H253-Y311 WeakPolarHBondContact O-CA 3.29Å; H253-K312 PolarHBondContact N-O 2.89Å; H253-K312 PolarHBondContact O-N 2.95Å; H253-L314 HydrophobicContact CB-CB 4.27Å; H253-L314 HydrophobicContact CB-CD2 3.94Å
254	W	98.3	Very high	96.6	Very high	40 Å²	40	45.1 Å²	45.1	15%	0.152	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	106.2	167.2	-57.5	102.5	0	0	0	107.9	R267 L305 F310 Y311	W254-R267 HydrophobicContact CB-CB 3.97Å; W254-R267 HydrophobicContact CB-CG 4.47Å; W254-R267 PolarHBondContact O-N 3.29Å; W254-L305 HydrophobicContact CB-CD2 4.41Å; W254-F310 WeakPolarHBondContact CA-O 2.94Å; W254-Y311 AromaticContact CD1-CD2 3.96Å; W254-Y311 AromaticContact CD2-CD2 3.48Å; W254-Y311 HydrophobicContact CD2-CD2 3.48Å; W254-Y311 VanDerWaalsContact CD2-CD2 3.48Å; W254-Y311 HydrophobicContact CD2-CE2 4.31Å; W254-Y311 HydrophobicContact CD2-CG 4.18Å; W254-Y311 AromaticContact CE2-CD2 3.39Å; W254-Y311 AromaticContact CE2-CE2 3.87Å; W254-Y311 AromaticContact CE3-CD2 3.98Å; W254-Y311 HydrophobicContact CE3-CD2 3.98Å; W254-Y311 HydrophobicContact CE3-CG 4.23Å; W254-Y311 AromaticContact CG-CD2 3.85Å; W254-Y311 HydrophobicContact CG-CD2 3.85Å; W254-Y311 HydrophobicContact CG-CE2 4.47Å; W254-Y311 HydrophobicContact CH2-CD2 4.36Å; W254-Y311 HydrophobicContact CH2-CG 4.33Å; W254-Y311 AromaticContact CZ2-CD2 3.85Å; W254-Y311 HydrophobicContact CZ2-CD2 3.85Å; W254-Y311 HydrophobicContact CZ2-CE2 4.33Å; W254-Y311 HydrophobicContact CZ2-CG 4.22Å; W254-Y311 HydrophobicContact CZ3-CD2 4.41Å; W254-Y311 HydrophobicContact CZ3-CG 4.33Å; W254-Y311 AromaticContact NE1-CD2 3.7Å; W254-Y311 AromaticContact NE1-CE2 3.76Å
255	Y	98.5	Very high	96.6	Very high	9 Å²	9	42.2 Å²	42.2	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.5	175.8	76.3	-82.1	0	0	0	112.1	H253 H257 V265 F310 K312 L314 H395 L397	H253-Y255 HydrophobicContact CB-CD1 4.33Å; H253-Y255 PolarHBondContact O-N 2.78Å; Y255-H257 AromaticContact CE2-NE2 3.8Å; Y255-V265 CarbonylContact C-O 3.51Å; Y255-V265 WeakPolarHBondContact CA-O 3.06Å; Y255-F310 PolarHBondContact N-O 2.73Å; Y255-F310 WeakPolarHBondContact O-CB 3.47Å; Y255-K312 HydrophobicContact CE1-CB 3.78Å; Y255-L314 HydrophobicContact CD1-CB 4.26Å; Y255-L314 HydrophobicContact CD1-CD1 4.42Å; Y255-L314 HydrophobicContact CD1-CD2 3.94Å; Y255-L314 HydrophobicContact CD1-CG 4.44Å; Y255-L314 HydrophobicContact CE1-CB 3.92Å; Y255-L314 HydrophobicContact CE1-CD1 4.08Å; Y255-L314 HydrophobicContact CE1-CD2 4.33Å; Y255-L314 HydrophobicContact CE1-CG 4.34Å; Y255-L314 HydrophobicContact CE2-CD1 4.38Å; Y255-L314 HydrophobicContact CG-CD2 4.22Å; Y255-H395 WeakPolarHBondContact OH-CB 3.33Å; Y255-H395 PolarHBondContact OH-ND1 3.05Å; Y255-L397 HydrophobicContact CD2-CD1 3.91Å; Y255-L397 HydrophobicContact CG-CD1 4.16Å
256	L	98	Very high	96.6	Very high	5 Å²	5	42 Å²	42	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.8	173.3	61	82.9	0	0	0	110.7	D258 S264 V265 L304 L305 F310	L256-D258 HydrophobicContact CD1-CB 4.05Å; L256-S264 CarbonylContact O-C 3.5Å; L256-S264 VanDerWaalsContact O-CA 3.31Å; L256-S264 WeakPolarHBondContact O-CA 3.42Å; L256-V265 HydrophobicContact CD1-CB 3.97Å; L256-V265 HydrophobicContact CD1-CG2 3.98Å; L256-V265 HydrophobicContact CG-CB 4.19Å; L256-V265 PolarHBondContact N-O 3.33Å; L256-V265 PolarHBondContact O-N 3.41Å; L256-L304 HydrophobicContact CD2-CB 3.65Å; L256-L304 HydrophobicContact CD2-CD1 4.05Å; L256-L304 HydrophobicContact CD2-CG 4.5Å; L256-L305 HydrophobicContact CB-CD2 4.17Å; L256-L305 HydrophobicContact CD2-CD1 4.29Å; L256-L305 HydrophobicContact CD2-CD2 3.75Å; L256-L305 HydrophobicContact CD2-CG 3.69Å; L256-L305 HydrophobicContact CG-CD2 3.86Å; L256-L305 HydrophobicContact CG-CG 4.21Å; L256-F310 HydrophobicContact CB-CD1 3.55Å; L256-F310 HydrophobicContact CB-CE1 3.68Å; L256-F310 HydrophobicContact CB-CG 4.34Å
257	H	97.8	Very high	96.6	Very high	100 Å²	100	43.4 Å²	43.4	46%	0.463	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.1	156.9	-54.9	-65.9	0	0	0	105.6	Y255 R259 S264	Y255-H257 AromaticContact CE2-NE2 3.8Å; H257-R259 PolarHBondContact O-N 3.21Å; H257-S264 PolarHBondContact ND1-OG 2.86Å
258	D	97.7	Very high	96.6	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.091	18%	0.184	C	C	.	.			trans	-66.2	137.7	-178	-160.7	-49.4	0	0	0	109.3	L256 Y260 L261 C263 R300 W301	L256-D258 HydrophobicContact CD1-CB 4.05Å; D258-Y260 PolarHBondContact OD1-N 2.86Å; D258-L261 HydrophobicContact CB-CB 4.14Å; D258-L261 WeakPolarHBondContact CB-O 3.44Å; D258-L261 PolarHBondContact OD1-N 3.43Å; D258-C263 PolarHBondContact N-O 3.28Å; D258-R300 IonicContact OD1-CZ 2.69Å; D258-R300 IonicContact OD1-NH1 3.35Å; D258-R300 IonicContact OD1-NH2 2.91Å; D258-R300 PolarHBondContact OD1-NH2 3.48Å; D258-R300 IonicContact OD2-CZ 2.72Å; D258-R300 IonicContact OD2-NH1 3.75Å; D258-R300 PolarHBondContact OD2-NH1 3.4Å; D258-R300 IonicContact OD2-NH2 3.15Å; D258-R300 PolarHBondContact OD2-NH2 2.75Å; D258-R300 VanDerWaalsContact OD2-NH2 3.11Å; D258-W301 PolarHBondContact OD2-NE1 3.29Å
259	R	95.7	Very high	96.6	Very high	213 Å²	213	43.3 Å²	43.3	80%	0.804	19%	0.19	S	C	*	.	S	Bend	trans	-83.4	-22.9	-177.4	-67.3	-177.7	179.5	-176.8	-1.9	112.5	H257	H257-R259 PolarHBondContact O-N 3.21Å
260	Y	95.1	Very high	96.6	Very high	191 Å²	191	42.5 Å²	42.5	75%	0.749	19%	0.186	S	C	*	.	S	Bend	trans	-110.1	-29.4	-176.4	-54.5	-64.2	0	0	0	112	D258	D258-Y260 PolarHBondContact OD1-N 2.86Å
261	L	97.3	Very high	96.9	Very high	30 Å²	30	44.4 Å²	44.4	16%	0.157	19%	0.193	C	C	.	.	S	Bend	trans	-106.2	145.2	177.7	-62.2	-178.8	0	0	0	111.4	D258 C263 I289 V292 M297 W301	D258-L261 HydrophobicContact CB-CB 4.14Å; D258-L261 WeakPolarHBondContact CB-O 3.44Å; D258-L261 PolarHBondContact OD1-N 3.43Å; L261-C263 PolarHBondContact O-N 2.98Å; L261-I289 HydrophobicContact CB-CD1 3.95Å; L261-V292 HydrophobicContact CD1-CG2 3.68Å; L261-V292 HydrophobicContact CD2-CG2 3.81Å; L261-V292 HydrophobicContact CG-CG2 4.4Å; L261-M297 HydrophobicContact CD1-CE 3.72Å; L261-M297 HydrophobicContact CD1-CG 4.26Å; L261-M297 HydrophobicContact CD1-SD 3.64Å; L261-W301 HydrophobicContact CD1-CZ2 3.9Å
262	P	97.6	Very high	96.8	Very high	31 Å²	31	44.2 Å²	44.2	20%	0.201	20%	0.203	C	C	.	.	S	Bend	trans	-79.9	59.6	-179.6	34.8	-37.8	0	0	0	111.4	N282 K285 I289	P262-N282 HydrophobicContact CB-CB 4.24Å; P262-N282 WeakPolarHBondContact O-CB 3.48Å; P262-N282 VanDerWaalsContact O-CG 3.27Å; P262-N282 PolarHBondContact O-N 2.99Å; P262-K285 HydrophobicContact CB-CB 4.21Å; P262-K285 HydrophobicContact CB-CG 3.99Å; P262-K285 HydrophobicContact CG-CB 3.91Å; P262-K285 HydrophobicContact CG-CD 4.34Å; P262-K285 HydrophobicContact CG-CG 4.04Å; P262-I289 HydrophobicContact CG-CD1 4.04Å
263	C	98.4	Very high	96.6	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.2	178.3	67.9	0	0	0	0	113.3	D258 L261 I279 L280 I289	D258-C263 PolarHBondContact N-O 3.28Å; L261-C263 PolarHBondContact O-N 2.98Å; C263-I279 HydrophobicContact CB-CG2 4.06Å; C263-L280 WeakPolarHBondContact CA-O 3.48Å; C263-I289 HydrophobicContact CB-CD1 3.63Å; C263-I289 HydrophobicContact CB-CG1 3.95Å
264	S	98.6	Very high	96.4	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.1	165.8	-53.8	0	0	0	0	109.2	L256 H257 L280	L256-S264 CarbonylContact O-C 3.5Å; L256-S264 VanDerWaalsContact O-CA 3.31Å; L256-S264 WeakPolarHBondContact O-CA 3.42Å; H257-S264 PolarHBondContact ND1-OG 2.86Å; S264-L280 PolarHBondContact N-O 3.27Å; S264-L280 PolarHBondContact O-N 2.83Å
265	V	98.7	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120	179.1	-173.2	0	0	0	0	108.6	Y255 L256 F277 I279 W301 L305	Y255-V265 CarbonylContact C-O 3.51Å; Y255-V265 WeakPolarHBondContact CA-O 3.06Å; L256-V265 HydrophobicContact CD1-CB 3.97Å; L256-V265 HydrophobicContact CD1-CG2 3.98Å; L256-V265 HydrophobicContact CG-CB 4.19Å; L256-V265 PolarHBondContact N-O 3.33Å; L256-V265 PolarHBondContact O-N 3.41Å; V265-F277 HydrophobicContact CG1-CD1 4.17Å; V265-I279 HydrophobicContact CG1-CG1 4.26Å; V265-I279 HydrophobicContact CG2-CG1 4.3Å; V265-I279 HydrophobicContact CG2-CG2 4.27Å; V265-W301 HydrophobicContact CG1-CB 4.42Å; V265-W301 HydrophobicContact CG1-CG 4.44Å; V265-W301 HydrophobicContact CG2-CD2 3.91Å; V265-W301 HydrophobicContact CG2-CG 4.04Å; V265-W301 HydrophobicContact CG2-CZ2 4.3Å; V265-L305 HydrophobicContact CB-CD1 4.23Å; V265-L305 HydrophobicContact CG1-CD1 3.65Å
266	L	98.7	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.2	170.7	171.5	69.3	0	0	0	108.6	H253 M268 F277 F278 L314 L316 F399	H253-L266 HydrophobicContact CB-CD1 3.88Å; L266-M268 HydrophobicContact CD1-CG 4.33Å; L266-M268 HydrophobicContact CD2-CG 3.96Å; L266-M268 HydrophobicContact CD2-SD 3.95Å; L266-M268 HydrophobicContact CG-CG 3.99Å; L266-F277 CarbonylContact O-C 3.6Å; L266-F277 WeakPolarHBondContact O-CA 3.38Å; L266-F278 HydrophobicContact CB-CB 4.3Å; L266-F278 HydrophobicContact CD2-CD2 4.19Å; L266-F278 PolarHBondContact N-O 2.71Å; L266-F278 PolarHBondContact O-N 2.86Å; L266-L314 HydrophobicContact CD1-CD2 4.12Å; L266-L316 HydrophobicContact CD2-CD1 3.56Å; L266-L316 HydrophobicContact CD2-CD2 3.79Å; L266-L316 HydrophobicContact CD2-CG 4.35Å; L266-F399 HydrophobicContact CB-CE2 4.17Å; L266-F399 HydrophobicContact CB-CZ 3.78Å; L266-F399 HydrophobicContact CD2-CE2 3.62Å; L266-F399 HydrophobicContact CD2-CZ 3.95Å
267	R	98.3	Very high	96.2	Very high	30 Å²	30	42.9 Å²	42.9	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.1	167.7	174	-167.1	167.2	-175.5	2.3	109.3	W254 D269 T275 V276 F277 L305	W254-R267 HydrophobicContact CB-CB 3.97Å; W254-R267 HydrophobicContact CB-CG 4.47Å; W254-R267 PolarHBondContact O-N 3.29Å; R267-D269 IonicContact CZ-OD1 2.68Å; R267-D269 IonicContact CZ-OD2 3.53Å; R267-D269 IonicContact NE-OD1 3.35Å; R267-D269 PolarHBondContact NE-OD1 2.86Å; R267-D269 IonicContact NE-OD2 3.43Å; R267-D269 IonicContact NH2-OD1 2.57Å; R267-D269 PolarHBondContact NH2-OD1 2.84Å; R267-D269 IonicContact NH2-OD2 2.71Å; R267-D269 PolarHBondContact NH2-OD2 3.4Å; R267-T275 HydrophobicContact CG-CG2 3.33Å; R267-V276 WeakPolarHBondContact CA-O 3.3Å; R267-F277 HydrophobicContact CB-CD1 4.08Å; R267-F277 HydrophobicContact CB-CE1 4.02Å; R267-F277 HydrophobicContact CG-CD1 4.4Å; R267-F277 HydrophobicContact CG-CE1 4.03Å; R267-F277 HydrophobicContact CG-CZ 4.5Å; R267-L305 HydrophobicContact CB-CB 4.38Å; R267-L305 HydrophobicContact CB-CD1 3.89Å
268	M	97.3	Very high	96.3	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.2	170.4	-65.5	-170.5	64.1	0	0	109.6	W219 F223 L266 T275 V276 F278 L316 L318	W219-M268 HydrophobicContact CD2-CE 4.23Å; W219-M268 HydrophobicContact CE3-CB 4.26Å; W219-M268 HydrophobicContact CE3-CE 4.22Å; W219-M268 HydrophobicContact CZ3-CB 3.88Å; F223-M268 HydrophobicContact CE2-CE 3.71Å; F223-M268 HydrophobicContact CZ-CE 3.87Å; F223-M268 HydrophobicContact CZ-SD 4.34Å; L266-M268 HydrophobicContact CD1-CG 4.33Å; L266-M268 HydrophobicContact CD2-CG 3.96Å; L266-M268 HydrophobicContact CD2-SD 3.95Å; L266-M268 HydrophobicContact CG-CG 3.99Å; M268-T275 WeakPolarHBondContact O-CG2 3.45Å; M268-V276 PolarHBondContact N-O 2.79Å; M268-V276 PolarHBondContact O-N 2.92Å; M268-F278 HydrophobicContact CB-CE2 4.49Å; M268-F278 HydrophobicContact CG-CD2 4.47Å; M268-F278 HydrophobicContact CG-CE2 4.4Å; M268-F278 HydrophobicContact SD-CD2 4.41Å; M268-F278 HydrophobicContact SD-CE2 4.04Å; M268-L316 HydrophobicContact CE-CD2 4.41Å; M268-L316 HydrophobicContact SD-CD2 3.83Å; M268-L318 HydrophobicContact SD-CD2 4.07Å
269	D	95.9	Very high	96.3	Very high	37 Å²	37	37.3 Å²	37.3	20%	0.198	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.3	178.3	-62.2	-51.4	0	0	0	110	E220 R267 T275	E220-D269 HydrophobicContact CB-CB 4.2Å; E220-D269 VanDerWaalsContact CB-O 3.28Å; E220-D269 WeakPolarHBondContact CB-O 3.47Å; E220-D269 PolarHBondContact N-O 2.97Å; R267-D269 IonicContact CZ-OD1 2.68Å; R267-D269 IonicContact CZ-OD2 3.53Å; R267-D269 IonicContact NE-OD1 3.35Å; R267-D269 PolarHBondContact NE-OD1 2.86Å; R267-D269 IonicContact NE-OD2 3.43Å; R267-D269 IonicContact NH2-OD1 2.57Å; R267-D269 PolarHBondContact NH2-OD1 2.84Å; R267-D269 IonicContact NH2-OD2 2.71Å; R267-D269 PolarHBondContact NH2-OD2 3.4Å; D269-T275 VanDerWaalsContact OD1-CG2 3.31Å; D269-T275 WeakPolarHBondContact OD1-CG2 3.43Å; D269-T275 PolarHBondContact OD1-OG1 3.21Å
270	Y	94.3	Very high	96.5	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-85.8	165.2	161.7	-66.5	-66.3	0	0	0	109.6	F215 A217 L218 W219 G272 A274 V276 T375 I407	F215-Y270 HydrophobicContact CE1-CD2 4.4Å; F215-Y270 AromaticContact CE1-CE2 3.73Å; F215-Y270 HydrophobicContact CE1-CE2 3.73Å; F215-Y270 AromaticContact CE1-CZ 3.97Å; F215-Y270 AromaticContact CZ-CD2 3.92Å; F215-Y270 HydrophobicContact CZ-CD2 3.92Å; F215-Y270 AromaticContact CZ-CE2 3.62Å; F215-Y270 HydrophobicContact CZ-CE2 3.62Å; A217-Y270 HydrophobicContact CB-CD1 3.44Å; A217-Y270 VanDerWaalsContact CB-CD1 3.44Å; A217-Y270 HydrophobicContact CB-CD2 3.8Å; A217-Y270 HydrophobicContact CB-CE1 3.79Å; A217-Y270 HydrophobicContact CB-CE2 4.1Å; A217-Y270 HydrophobicContact CB-CG 3.46Å; A217-Y270 VanDerWaalsContact CB-CG 3.46Å; L218-Y270 CarbonylContact O-C 3.58Å; L218-Y270 WeakPolarHBondContact O-CA 3.4Å; L218-Y270 WeakPolarHBondContact O-CB 3.41Å; L218-Y270 WeakPolarHBondContact O-CD1 3.4Å; W219-Y270 HydrophobicContact CD2-CD1 4.01Å; W219-Y270 AromaticContact CD2-CE1 3.72Å; W219-Y270 HydrophobicContact CD2-CE1 3.72Å; W219-Y270 AromaticContact CE2-CE1 3.96Å; W219-Y270 AromaticContact CE3-CD1 3.38Å; W219-Y270 HydrophobicContact CE3-CD1 3.38Å; W219-Y270 AromaticContact CE3-CE1 3.26Å; W219-Y270 HydrophobicContact CE3-CE1 3.26Å; W219-Y270 HydrophobicContact CE3-CG 4.22Å; W219-Y270 HydrophobicContact CH2-CD1 4.29Å; W219-Y270 AromaticContact CH2-CE1 3.37Å; W219-Y270 HydrophobicContact CH2-CE1 3.37Å; W219-Y270 HydrophobicContact CH2-CE2 4.34Å; W219-Y270 AromaticContact CH2-CZ 3.38Å; W219-Y270 WeakPolarHBondContact CH2-OH 3.5Å; W219-Y270 AromaticContact CZ2-CE1 3.8Å; W219-Y270 HydrophobicContact CZ2-CE1 3.8Å; W219-Y270 AromaticContact CZ3-CD1 3.57Å; W219-Y270 HydrophobicContact CZ3-CD1 3.57Å; W219-Y270 HydrophobicContact CZ3-CD2 4.39Å; W219-Y270 AromaticContact CZ3-CE1 3.08Å; W219-Y270 HydrophobicContact CZ3-CE1 3.08Å; W219-Y270 HydrophobicContact CZ3-CE2 4.03Å; W219-Y270 HydrophobicContact CZ3-CG 4.19Å; W219-Y270 AromaticContact CZ3-CZ 3.33Å; Y270-G272 PolarHBondContact O-N 3.37Å; Y270-A274 WeakPolarHBondContact CB-O 3.11Å; Y270-A274 HydrophobicContact CD2-CB 3.84Å; Y270-A274 PolarHBondContact N-O 3.5Å; Y270-V276 HydrophobicContact CD2-CG2 4Å; Y270-V276 HydrophobicContact CE2-CG2 3.12Å; Y270-V276 VanDerWaalsContact CZ-CG2 3.46Å; Y270-V276 WeakPolarHBondContact OH-CG2 3.35Å; Y270-T375 HydrophobicContact CE1-CG2 3.83Å; Y270-T375 WeakPolarHBondContact OH-CG2 3.32Å; Y270-I407 HydrophobicContact CE2-CG2 4.35Å
271	K	92.1	Very high	96.6	Very high	90 Å²	90	18.3 Å²	18.3	39%	0.391	10%	0.103	S	C	.	.	S	Bend	trans	-65	129.1	161.7	-62.4	-174.9	178.2	-177.8	0	108.5	H133 L218 E220	H133-K271 VanDerWaalsContact O-CB 3.27Å; H133-K271 WeakPolarHBondContact O-CB 3.47Å; L218-K271 HydrophobicContact CB-CD 4.15Å; L218-K271 HydrophobicContact CB-CG 4.41Å; L218-K271 PolarHBondContact O-N 3.47Å; E220-K271 WeakPolarHBondContact OE2-CG 3.46Å
272	G	90.7	Very high	96.7	Very high	39 Å²	39	20.4 Å²	20.4	40%	0.402	11%	0.114	S	C	.	.	S	Bend	trans	90.2	-167.6	-172.6	0	0	0	0	0	113.3	Y270 A274	Y270-G272 PolarHBondContact O-N 3.37Å; G272-A274 PolarHBondContact O-N 3.13Å
273	D	91	Very high	96.5	Very high	92 Å²	92	25.3 Å²	25.3	49%	0.492	13%	0.134	S	C	.	.	S	Bend	trans	-86.7	39.7	-166.6	-62.6	-31.5	0	0	0	114.2	S409 T410	D273-S409 CarbonylContact O-C 3.45Å; D273-S409 WeakPolarHBondContact O-CA 3.4Å; D273-T410 WeakPolarHBondContact CA-OG1 3.47Å; D273-T410 PolarHBondContact O-N 3.21Å; D273-T410 PolarHBondContact O-OG1 2.79Å; D273-T410 VanDerWaalsContact O-OG1 3.13Å
274	A	94.1	Very high	96.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.6	179.3	0	0	0	0	0	112.6	L135 F215 Y270 G272 F408	L135-A274 HydrophobicContact CD1-CB 3.92Å; L135-A274 HydrophobicContact CD2-CB 3.77Å; F215-A274 HydrophobicContact CE2-CB 4.39Å; F215-A274 HydrophobicContact CZ-CB 4.3Å; Y270-A274 WeakPolarHBondContact CB-O 3.11Å; Y270-A274 HydrophobicContact CD2-CB 3.84Å; Y270-A274 PolarHBondContact N-O 3.5Å; G272-A274 PolarHBondContact O-N 3.13Å; A274-F408 WeakPolarHBondContact CA-O 3.38Å
275	T	96	Very high	96.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.7	-178.4	-61.5	0	0	0	0	109.7	R267 M268 D269 F277 I407 F408 T410	R267-T275 HydrophobicContact CG-CG2 3.33Å; M268-T275 WeakPolarHBondContact O-CG2 3.45Å; D269-T275 VanDerWaalsContact OD1-CG2 3.31Å; D269-T275 WeakPolarHBondContact OD1-CG2 3.43Å; D269-T275 PolarHBondContact OD1-OG1 3.21Å; T275-F277 HydrophobicContact CG2-CE2 4.21Å; T275-F277 HydrophobicContact CG2-CZ 4.27Å; T275-I407 WeakPolarHBondContact O-CA 3.46Å; T275-F408 PolarHBondContact N-O 2.83Å; T275-F408 PolarHBondContact O-N 2.83Å; T275-T410 WeakPolarHBondContact OG1-CG2 3.36Å
276	V	97.3	Very high	96.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.6	171.5	-168.2	0	0	0	0	110.5	W219 R267 M268 Y270 F278 V405 V406 I407	W219-V276 HydrophobicContact CH2-CB 4.4Å; W219-V276 HydrophobicContact CH2-CG2 3.85Å; W219-V276 HydrophobicContact CZ3-CB 4.44Å; W219-V276 HydrophobicContact CZ3-CG2 3.88Å; R267-V276 WeakPolarHBondContact CA-O 3.3Å; M268-V276 PolarHBondContact N-O 2.79Å; M268-V276 PolarHBondContact O-N 2.92Å; Y270-V276 HydrophobicContact CD2-CG2 4Å; Y270-V276 HydrophobicContact CE2-CG2 3.12Å; Y270-V276 VanDerWaalsContact CZ-CG2 3.46Å; Y270-V276 WeakPolarHBondContact OH-CG2 3.35Å; V276-F278 HydrophobicContact CB-CD2 4.44Å; V276-F278 HydrophobicContact CB-CE2 3.98Å; V276-F278 HydrophobicContact CB-CZ 4.38Å; V276-F278 HydrophobicContact CG1-CD1 4.39Å; V276-F278 HydrophobicContact CG1-CD2 3.97Å; V276-F278 HydrophobicContact CG1-CE1 4.07Å; V276-F278 HydrophobicContact CG1-CE2 3.6Å; V276-F278 HydrophobicContact CG1-CG 4.35Å; V276-F278 HydrophobicContact CG1-CZ 3.66Å; V276-V405 HydrophobicContact CG1-CG1 3.75Å; V276-V406 CarbonylContact C-O 3.59Å; V276-V406 WeakPolarHBondContact CA-O 3.35Å; V276-I407 HydrophobicContact CG1-CG1 4.23Å; V276-I407 HydrophobicContact CG2-CD1 4.49Å; V276-I407 HydrophobicContact CG2-CG1 4.01Å; V276-I407 HydrophobicContact CG2-CG2 4.48Å
277	F	98.4	Very high	96	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.5	164.5	-60.7	-86	0	0	0	108.9	V265 L266 R267 T275 I279 L298 N302 L305 V405 V406 F408	V265-F277 HydrophobicContact CG1-CD1 4.17Å; L266-F277 CarbonylContact O-C 3.6Å; L266-F277 WeakPolarHBondContact O-CA 3.38Å; R267-F277 HydrophobicContact CB-CD1 4.08Å; R267-F277 HydrophobicContact CB-CE1 4.02Å; R267-F277 HydrophobicContact CG-CD1 4.4Å; R267-F277 HydrophobicContact CG-CE1 4.03Å; R267-F277 HydrophobicContact CG-CZ 4.5Å; T275-F277 HydrophobicContact CG2-CE2 4.21Å; T275-F277 HydrophobicContact CG2-CZ 4.27Å; F277-I279 HydrophobicContact CB-CD1 4.06Å; F277-L298 HydrophobicContact CD2-CD1 3.83Å; F277-L298 HydrophobicContact CE2-CD1 4.15Å; F277-L298 HydrophobicContact CG-CD1 4.2Å; F277-N302 HydrophobicContact CE1-CB 4.46Å; F277-N302 HydrophobicContact CZ-CB 3.89Å; F277-L305 HydrophobicContact CD1-CD1 4Å; F277-L305 HydrophobicContact CE1-CD1 3.91Å; F277-V405 WeakPolarHBondContact O-CA 3.27Å; F277-V406 HydrophobicContact CB-CB 4.27Å; F277-V406 PolarHBondContact N-O 2.9Å; F277-V406 PolarHBondContact O-N 2.87Å; F277-F408 HydrophobicContact CD2-CB 4.36Å; F277-F408 HydrophobicContact CE2-CB 4.06Å; F277-F408 HydrophobicContact CE2-CG 4.42Å
278	F	98.5	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.7	167.7	-64	-81.7	0	0	0	108.5	W219 L266 M268 V276 L318 F399 F403 L404 V405	W219-F278 HydrophobicContact CH2-CE2 4.24Å; W219-F278 HydrophobicContact CH2-CZ 4.29Å; L266-F278 HydrophobicContact CB-CB 4.3Å; L266-F278 HydrophobicContact CD2-CD2 4.19Å; L266-F278 PolarHBondContact N-O 2.71Å; L266-F278 PolarHBondContact O-N 2.86Å; M268-F278 HydrophobicContact CB-CE2 4.49Å; M268-F278 HydrophobicContact CG-CD2 4.47Å; M268-F278 HydrophobicContact CG-CE2 4.4Å; M268-F278 HydrophobicContact SD-CD2 4.41Å; M268-F278 HydrophobicContact SD-CE2 4.04Å; V276-F278 HydrophobicContact CB-CD2 4.44Å; V276-F278 HydrophobicContact CB-CE2 3.98Å; V276-F278 HydrophobicContact CB-CZ 4.38Å; V276-F278 HydrophobicContact CG1-CD1 4.39Å; V276-F278 HydrophobicContact CG1-CD2 3.97Å; V276-F278 HydrophobicContact CG1-CE1 4.07Å; V276-F278 HydrophobicContact CG1-CE2 3.6Å; V276-F278 HydrophobicContact CG1-CG 4.35Å; V276-F278 HydrophobicContact CG1-CZ 3.66Å; F278-L318 HydrophobicContact CD1-CD1 4.19Å; F278-L318 HydrophobicContact CD2-CD1 4.47Å; F278-L318 HydrophobicContact CE1-CD1 4.17Å; F278-L318 HydrophobicContact CE2-CD1 4.44Å; F278-L318 HydrophobicContact CE2-CD2 4.01Å; F278-L318 HydrophobicContact CG-CD1 4.34Å; F278-L318 HydrophobicContact CZ-CD1 4.3Å; F278-L318 HydrophobicContact CZ-CD2 3.93Å; F278-F399 HydrophobicContact CB-CD1 4.22Å; F278-F399 HydrophobicContact CB-CE1 3.38Å; F278-F399 HydrophobicContact CB-CZ 3.57Å; F278-F399 HydrophobicContact CG-CE1 4.37Å; F278-F403 AromaticContact CD1-CD2 3.97Å; F278-F403 HydrophobicContact CD1-CD2 3.97Å; F278-F403 AromaticContact CD1-CE2 3.7Å; F278-F403 HydrophobicContact CD1-CE2 3.7Å; F278-F403 HydrophobicContact CE1-CE2 4.03Å; F278-L404 WeakPolarHBondContact CA-O 3.44Å; F278-V405 HydrophobicContact CD1-CG2 3.89Å; F278-V405 HydrophobicContact CE1-CG1 4.27Å; F278-V405 HydrophobicContact CE1-CG2 3.93Å
279	I	98.7	Very high	95.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.5	179.9	-53.4	88.5	0	0	0	107.5	C263 V265 F277 P281 I289 W301 F403 L404 V406	C263-I279 HydrophobicContact CB-CG2 4.06Å; V265-I279 HydrophobicContact CG1-CG1 4.26Å; V265-I279 HydrophobicContact CG2-CG1 4.3Å; V265-I279 HydrophobicContact CG2-CG2 4.27Å; F277-I279 HydrophobicContact CB-CD1 4.06Å; I279-P281 VanDerWaalsContact O-CD 3.31Å; I279-P281 WeakPolarHBondContact O-CD 3.43Å; I279-I289 HydrophobicContact CG2-CG2 4.03Å; I279-W301 HydrophobicContact CG1-CE3 4.37Å; I279-W301 HydrophobicContact CG1-CH2 4.39Å; I279-W301 HydrophobicContact CG1-CZ3 3.98Å; I279-W301 HydrophobicContact CG2-CH2 4.34Å; I279-F403 CarbonylContact O-C 3.58Å; I279-F403 WeakPolarHBondContact O-CA 3.31Å; I279-F403 WeakPolarHBondContact O-CB 3.43Å; I279-L404 HydrophobicContact CB-CB 4.09Å; I279-L404 HydrophobicContact CD1-CB 4.12Å; I279-L404 PolarHBondContact N-O 3.08Å; I279-L404 PolarHBondContact O-N 2.88Å; I279-V406 HydrophobicContact CD1-CG2 3.76Å
280	L	98.7	Very high	96	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	99.3	179.3	-176.8	64.3	0	0	0	109.3	C263 S264 L397 R398 F399 R401 F403	C263-L280 WeakPolarHBondContact CA-O 3.48Å; S264-L280 PolarHBondContact N-O 3.27Å; S264-L280 PolarHBondContact O-N 2.83Å; L280-L397 HydrophobicContact CD2-CD2 4.37Å; L280-R398 VanDerWaalsContact CD2-O 3.31Å; L280-R398 WeakPolarHBondContact CD2-O 3.22Å; L280-F399 HydrophobicContact CB-CD1 4.11Å; L280-F399 HydrophobicContact CB-CE1 3.63Å; L280-F399 HydrophobicContact CB-CZ 4.17Å; L280-F399 HydrophobicContact CD1-CD1 4.15Å; L280-F399 HydrophobicContact CD2-CD1 4.47Å; L280-F399 HydrophobicContact CD2-CE1 4.48Å; L280-F399 HydrophobicContact CG-CD1 4.47Å; L280-F399 HydrophobicContact CG-CE1 4.42Å; L280-R401 HydrophobicContact CD1-CG 3.82Å; L280-F403 HydrophobicContact CD1-CB 4.03Å
281	P	98.5	Very high	96	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	151.9	172.3	-20.4	32.6	0	0	0	111.3	I279 K285 M286 I289 R401	I279-P281 VanDerWaalsContact O-CD 3.31Å; I279-P281 WeakPolarHBondContact O-CD 3.43Å; P281-K285 HydrophobicContact CB-CB 4.39Å; P281-M286 HydrophobicContact CG-CE 4.07Å; P281-M286 HydrophobicContact CG-SD 3.85Å; P281-I289 HydrophobicContact CB-CG1 3.91Å; P281-I289 HydrophobicContact CG-CB 4.32Å; P281-I289 HydrophobicContact CG-CG1 4.08Å; P281-R401 VanDerWaalsContact O-CZ 3.27Å; P281-R401 PolarHBondContact O-NE 3.2Å; P281-R401 PolarHBondContact O-NH2 2.82Å
282	N	97.9	Very high	96.2	Very high	74 Å²	74	46.3 Å²	46.3	40%	0.396	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-61.1	159.9	164.9	-67.8	-5.4	0	0	0	109.7	P262 G284 K285	P262-N282 HydrophobicContact CB-CB 4.24Å; P262-N282 WeakPolarHBondContact O-CB 3.48Å; P262-N282 VanDerWaalsContact O-CG 3.27Å; P262-N282 PolarHBondContact O-N 2.99Å; N282-G284 PolarHBondContact O-N 2.85Å; N282-K285 HydrophobicContact CB-CB 4.25Å; N282-K285 HydrophobicContact CB-CG 3.87Å; N282-K285 WeakPolarHBondContact O-CB 3.31Å; N282-K285 PolarHBondContact O-N 2.86Å
283	Q	94.9	Very high	96.4	Very high	133 Å²	133	45 Å²	45	62%	0.621	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	130.6	-178.7	-173.6	173.6	-1.6	0	0	111	E237 K285	E237-Q283 PolarHBondContact OE1-NE2 3.41Å; E237-Q283 PolarHBondContact OE2-NE2 2.85Å; Q283-K285 PolarHBondContact O-N 2.93Å
284	G	93.9	Very high	96.6	Very high	75 Å²	75	43 Å²	43	77%	0.773	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	2.2	-176.9	0	0	0	0	0	115.8	N282	N282-G284 PolarHBondContact O-N 2.85Å
285	K	97.1	Very high	96.6	Very high	72 Å²	72	44 Å²	44	31%	0.313	23%	0.23	S	C	.	.			trans	-104.8	13.5	-171.9	-56.5	-59.5	-168.5	167.1	0	115.3	P262 P281 N282 Q283 R287 E288 I289	P262-K285 HydrophobicContact CB-CB 4.21Å; P262-K285 HydrophobicContact CB-CG 3.99Å; P262-K285 HydrophobicContact CG-CB 3.91Å; P262-K285 HydrophobicContact CG-CD 4.34Å; P262-K285 HydrophobicContact CG-CG 4.04Å; P281-K285 HydrophobicContact CB-CB 4.39Å; N282-K285 HydrophobicContact CB-CB 4.25Å; N282-K285 HydrophobicContact CB-CG 3.87Å; N282-K285 WeakPolarHBondContact O-CB 3.31Å; N282-K285 PolarHBondContact O-N 2.86Å; Q283-K285 PolarHBondContact O-N 2.93Å; K285-R287 PolarHBondContact O-N 2.9Å; K285-E288 VanDerWaalsContact CD-CD 3.46Å; K285-E288 WeakPolarHBondContact CD-OE1 3.49Å; K285-E288 WeakPolarHBondContact CD-OE2 3.33Å; K285-E288 WeakPolarHBondContact CE-OE1 3.36Å; K285-E288 VanDerWaalsContact NZ-CD 3.31Å; K285-E288 IonicContact NZ-OE1 3.16Å; K285-E288 PolarHBondContact NZ-OE1 3.29Å; K285-E288 IonicContact NZ-OE2 3.16Å; K285-E288 PolarHBondContact NZ-OE2 2.84Å; K285-E288 PolarHBondContact O-N 3.04Å; K285-I289 WeakPolarHBondContact O-CG1 3.33Å; K285-I289 PolarHBondContact O-N 2.68Å
286	M	97.1	Very high	96.6	Very high	34 Å²	34	50.1 Å²	50.1	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-54.1	-177.8	179.4	62.8	79	0	0	112	P281 E288 I289 E290 P402 L404 K420	P281-M286 HydrophobicContact CG-CE 4.07Å; P281-M286 HydrophobicContact CG-SD 3.85Å; M286-E288 VanDerWaalsContact C-N 3.34Å; M286-E288 PolarHBondContact O-N 2.92Å; M286-I289 PolarHBondContact O-N 2.85Å; M286-I289 VanDerWaalsContact O-N 3.08Å; M286-E290 HydrophobicContact CG-CG 4.38Å; M286-E290 WeakPolarHBondContact O-CG 3.49Å; M286-E290 PolarHBondContact O-N 3.11Å; M286-E290 HydrophobicContact SD-CG 4.26Å; M286-P402 VanDerWaalsContact CE-C 3.4Å; M286-P402 HydrophobicContact CE-CB 3.4Å; M286-P402 WeakPolarHBondContact CE-O 3.3Å; M286-L404 HydrophobicContact CE-CD2 4.31Å; M286-L404 HydrophobicContact SD-CD2 3.7Å; M286-L404 HydrophobicContact SD-CG 4.15Å; M286-K420 HydrophobicContact CE-CD 3.95Å; M286-K420 HydrophobicContact CE-CG 4.14Å; M286-K420 HydrophobicContact CG-CD 4.23Å; M286-K420 HydrophobicContact SD-CD 3.86Å; M286-K420 HydrophobicContact SD-CG 4.5Å
287	R	95.3	Very high	96.5	Very high	171 Å²	171	51.7 Å²	51.7	65%	0.645	27%	0.266	S	S	*	.	H	α-helix	trans	-61.7	-40.8	-177.3	-171	-176.5	-70.9	171.3	-2.9	112.5	K285 I289 E290 E291	K285-R287 PolarHBondContact O-N 2.9Å; R287-I289 PolarHBondContact O-N 2.79Å; R287-E290 PolarHBondContact O-N 2.79Å; R287-E290 VanDerWaalsContact O-N 3.08Å; R287-E291 WeakPolarHBondContact CD-OE1 3.43Å; R287-E291 HydrophobicContact CG-CG 4.35Å; R287-E291 WeakPolarHBondContact CG-OE1 3.22Å; R287-E291 WeakPolarHBondContact O-CG 3.44Å; R287-E291 PolarHBondContact O-N 2.99Å
288	E	96.6	Very high	96.4	Very high	84 Å²	84	51.9 Å²	51.9	39%	0.393	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-33.4	176.7	-71	176.3	-136.4	0	0	112.1	K285 M286 V292	K285-E288 VanDerWaalsContact CD-CD 3.46Å; K285-E288 WeakPolarHBondContact CD-OE1 3.49Å; K285-E288 WeakPolarHBondContact CD-OE2 3.33Å; K285-E288 WeakPolarHBondContact CE-OE1 3.36Å; K285-E288 VanDerWaalsContact NZ-CD 3.31Å; K285-E288 IonicContact NZ-OE1 3.16Å; K285-E288 PolarHBondContact NZ-OE1 3.29Å; K285-E288 IonicContact NZ-OE2 3.16Å; K285-E288 PolarHBondContact NZ-OE2 2.84Å; K285-E288 PolarHBondContact O-N 3.04Å; M286-E288 VanDerWaalsContact C-N 3.34Å; M286-E288 PolarHBondContact O-N 2.92Å; E288-V292 WeakPolarHBondContact O-CG2 3.38Å
289	I	97.5	Very high	96.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-77.4	-39.4	174.6	-60.4	-55.6	0	0	0	111.4	L261 P262 C263 I279 P281 K285 M286 R287 E291 V292 L293 L404	L261-I289 HydrophobicContact CB-CD1 3.95Å; P262-I289 HydrophobicContact CG-CD1 4.04Å; C263-I289 HydrophobicContact CB-CD1 3.63Å; C263-I289 HydrophobicContact CB-CG1 3.95Å; I279-I289 HydrophobicContact CG2-CG2 4.03Å; P281-I289 HydrophobicContact CB-CG1 3.91Å; P281-I289 HydrophobicContact CG-CB 4.32Å; P281-I289 HydrophobicContact CG-CG1 4.08Å; K285-I289 WeakPolarHBondContact O-CG1 3.33Å; K285-I289 PolarHBondContact O-N 2.68Å; M286-I289 PolarHBondContact O-N 2.85Å; M286-I289 VanDerWaalsContact O-N 3.08Å; R287-I289 PolarHBondContact O-N 2.79Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 2.79Å; I289-V292 WeakPolarHBondContact O-CG2 3.47Å; I289-V292 PolarHBondContact O-N 3.42Å; I289-L293 WeakPolarHBondContact O-CB 3.31Å; I289-L293 PolarHBondContact O-N 3.25Å; I289-L293 VanDerWaalsContact O-N 3.16Å; I289-L404 HydrophobicContact CG2-CD1 4.04Å
290	E	96.8	Very high	96	Very high	22 Å²	22	58.4 Å²	58.4	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-35.7	178.3	-66.4	-179.8	128.8	0	0	112.7	Y63 M286 R287 V292 L293 K420	Y63-E290 HydrophobicContact CE1-CB 4.35Å; Y63-E290 HydrophobicContact CE1-CG 3.94Å; Y63-E290 PolarHBondContact OH-OE1 3.25Å; M286-E290 HydrophobicContact CG-CG 4.38Å; M286-E290 WeakPolarHBondContact O-CG 3.49Å; M286-E290 PolarHBondContact O-N 3.11Å; M286-E290 HydrophobicContact SD-CG 4.26Å; R287-E290 PolarHBondContact O-N 2.79Å; R287-E290 VanDerWaalsContact O-N 3.08Å; E290-V292 PolarHBondContact O-N 3.08Å; E290-L293 PolarHBondContact O-N 3.47Å; E290-K420 WeakPolarHBondContact OE1-CD 3.37Å; E290-K420 WeakPolarHBondContact OE1-CE 3.37Å; E290-K420 IonicContact OE1-NZ 2.75Å; E290-K420 PolarHBondContact OE1-NZ 2.98Å; E290-K420 IonicContact OE2-NZ 3.52Å
291	E	95.1	Very high	96	Very high	115 Å²	115	58.3 Å²	58.3	54%	0.537	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.2	178.7	-75.3	169.2	-174.5	0	0	113.7	R287 I289	R287-E291 WeakPolarHBondContact CD-OE1 3.43Å; R287-E291 HydrophobicContact CG-CG 4.35Å; R287-E291 WeakPolarHBondContact CG-OE1 3.22Å; R287-E291 WeakPolarHBondContact O-CG 3.44Å; R287-E291 PolarHBondContact O-N 2.99Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 2.79Å
292	V	95.3	Very high	95.8	Very high	49 Å²	49	58.3 Å²	58.3	30%	0.297	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	11.3	-179.5	-57.1	0	0	0	0	112.5	L261 E288 I289 E290 T294 M297	L261-V292 HydrophobicContact CD1-CG2 3.68Å; L261-V292 HydrophobicContact CD2-CG2 3.81Å; L261-V292 HydrophobicContact CG-CG2 4.4Å; E288-V292 WeakPolarHBondContact O-CG2 3.38Å; I289-V292 WeakPolarHBondContact O-CG2 3.47Å; I289-V292 PolarHBondContact O-N 3.42Å; E290-V292 PolarHBondContact O-N 3.08Å; V292-T294 PolarHBondContact O-N 3.33Å; V292-M297 WeakPolarHBondContact O-CB 3.48Å
293	L	95.1	Very high	95.7	Very high	11 Å²	11	59 Å²	59	6%	0.058	30%	0.298	C	S	.	.			trans	-81.2	85.1	-179.6	-169.2	71.5	0	0	0	110.1	F60 Y63 I289 E290 W301 L404 L418	F60-L293 WeakPolarHBondContact CB-O 3.5Å; F60-L293 HydrophobicContact CD1-CB 4.44Å; F60-L293 HydrophobicContact CD1-CD2 3.95Å; F60-L293 HydrophobicContact CD1-CG 3.68Å; F60-L293 WeakPolarHBondContact CD1-O 3.34Å; F60-L293 HydrophobicContact CE1-CD1 4.18Å; F60-L293 HydrophobicContact CE1-CD2 3.95Å; F60-L293 HydrophobicContact CE1-CG 3.59Å; F60-L293 WeakPolarHBondContact CG-O 3.39Å; Y63-L293 HydrophobicContact CD1-CD2 4.09Å; Y63-L293 HydrophobicContact CE1-CD2 4.04Å; I289-L293 WeakPolarHBondContact O-CB 3.31Å; I289-L293 PolarHBondContact O-N 3.25Å; I289-L293 VanDerWaalsContact O-N 3.16Å; E290-L293 PolarHBondContact O-N 3.47Å; L293-W301 HydrophobicContact CD1-CH2 3.86Å; L293-W301 HydrophobicContact CD1-CZ3 3.63Å; L293-L404 HydrophobicContact CD1-CD1 4.35Å; L293-L404 HydrophobicContact CD2-CD1 3.87Å; L293-L418 HydrophobicContact CD2-CD1 4.47Å
294	T	95.4	Very high	95.8	Very high	51 Å²	51	54.8 Å²	54.8	31%	0.313	28%	0.279	S	S	.	.			trans	-114.6	166.2	-178.9	79.1	0	0	0	0	112	V292 E296 M297 L298	V292-T294 PolarHBondContact O-N 3.33Å; T294-E296 VanDerWaalsContact C-N 3.27Å; T294-E296 WeakPolarHBondContact CB-OE2 3.41Å; T294-E296 PolarHBondContact O-N 2.98Å; T294-E296 PolarHBondContact OG1-N 3.31Å; T294-E296 PolarHBondContact OG1-OE2 2.97Å; T294-M297 WeakPolarHBondContact O-CB 3.48Å; T294-M297 PolarHBondContact O-N 2.94Å; T294-M297 VanDerWaalsContact O-N 3.15Å; T294-M297 PolarHBondContact OG1-N 3.04Å; T294-L298 PolarHBondContact O-N 2.77Å; T294-L298 VanDerWaalsContact O-N 3.08Å
295	P	94.4	Very high	96	Very high	22 Å²	22	51.2 Å²	51.2	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-53.4	-42.1	172.1	-24.9	33.3	0	0	0	113.4	A56 D57 F60 M297 L298 M299	A56-P295 HydrophobicContact CB-CB 3.92Å; A56-P295 HydrophobicContact CB-CG 4Å; D57-P295 HydrophobicContact CB-CG 4.41Å; F60-P295 HydrophobicContact CD2-CB 4.37Å; F60-P295 VanDerWaalsContact CD2-CD 3.45Å; F60-P295 HydrophobicContact CD2-CG 3.64Å; F60-P295 HydrophobicContact CE2-CB 4.25Å; F60-P295 HydrophobicContact CE2-CG 4.01Å; P295-M297 VanDerWaalsContact C-N 3.29Å; P295-M297 PolarHBondContact O-N 3.5Å; P295-L298 PolarHBondContact O-N 3.32Å; P295-M299 WeakPolarHBondContact O-CG 3.48Å; P295-M299 PolarHBondContact O-N 3.3Å
296	E	95.7	Very high	95.9	Very high	131 Å²	131	53.6 Å²	53.6	61%	0.612	25%	0.25	S	C	*	.	H	α-helix	trans	-66	-36.7	-178.9	-55.5	69.8	-146	0	0	110.6	T294 M299 R300	T294-E296 VanDerWaalsContact C-N 3.27Å; T294-E296 WeakPolarHBondContact CB-OE2 3.41Å; T294-E296 PolarHBondContact O-N 2.98Å; T294-E296 PolarHBondContact OG1-N 3.31Å; T294-E296 PolarHBondContact OG1-OE2 2.97Å; E296-M299 PolarHBondContact O-N 2.77Å; E296-R300 WeakPolarHBondContact O-CB 3.32Å; E296-R300 PolarHBondContact O-N 2.83Å
297	M	95.6	Very high	95.8	Very high	35 Å²	35	58 Å²	58	17%	0.172	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-44.4	175.9	-169.5	58.9	64	0	0	111.4	L261 V292 T294 P295 M299 R300 W301	L261-M297 HydrophobicContact CD1-CE 3.72Å; L261-M297 HydrophobicContact CD1-CG 4.26Å; L261-M297 HydrophobicContact CD1-SD 3.64Å; V292-M297 WeakPolarHBondContact O-CB 3.48Å; T294-M297 WeakPolarHBondContact O-CB 3.48Å; T294-M297 PolarHBondContact O-N 2.94Å; T294-M297 VanDerWaalsContact O-N 3.15Å; T294-M297 PolarHBondContact OG1-N 3.04Å; P295-M297 VanDerWaalsContact C-N 3.29Å; P295-M297 PolarHBondContact O-N 3.5Å; M297-M299 VanDerWaalsContact C-N 3.32Å; M297-M299 PolarHBondContact O-N 2.97Å; M297-R300 WeakPolarHBondContact O-CB 3.24Å; M297-R300 PolarHBondContact O-N 3.34Å; M297-R300 PolarHBondContact SD-NH1 3.36Å; M297-W301 HydrophobicContact CG-CD2 4.13Å; M297-W301 HydrophobicContact CG-CE3 4.16Å; M297-W301 HydrophobicContact CG-CH2 3.56Å; M297-W301 HydrophobicContact CG-CZ2 3.52Å; M297-W301 HydrophobicContact CG-CZ3 3.89Å; M297-W301 PolarHBondContact O-N 3Å; M297-W301 HydrophobicContact SD-CZ2 3.98Å
298	L	95.5	Very high	95.9	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-45	173.9	-179.5	65.3	0	0	0	111.1	F60 F277 T294 P295 R300 W301 N302 V406 F408 V415	F60-L298 HydrophobicContact CZ-CB 4.09Å; F60-L298 HydrophobicContact CZ-CD2 4.05Å; F277-L298 HydrophobicContact CD2-CD1 3.83Å; F277-L298 HydrophobicContact CE2-CD1 4.15Å; F277-L298 HydrophobicContact CG-CD1 4.2Å; T294-L298 PolarHBondContact O-N 2.77Å; T294-L298 VanDerWaalsContact O-N 3.08Å; P295-L298 PolarHBondContact O-N 3.32Å; L298-R300 VanDerWaalsContact C-N 3.34Å; L298-R300 PolarHBondContact O-N 2.94Å; L298-W301 PolarHBondContact O-N 3.31Å; L298-N302 WeakPolarHBondContact O-CB 3.48Å; L298-N302 PolarHBondContact O-N 2.88Å; L298-V406 HydrophobicContact CD1-CB 4.41Å; L298-V406 HydrophobicContact CD1-CG1 4.14Å; L298-V406 HydrophobicContact CD2-CG1 3.97Å; L298-F408 HydrophobicContact CD2-CD2 4.02Å; L298-F408 HydrophobicContact CD2-CE2 4.26Å; L298-V415 HydrophobicContact CD2-CG2 3.93Å
299	M	94	Very high	95.8	Very high	67 Å²	67	59 Å²	59	33%	0.33	28%	0.277	S	S	.	.	H	α-helix	trans	-65.2	-36.8	177.7	-71.5	-56	-69.8	0	0	112.5	P295 E296 M297 N302 N303	P295-M299 WeakPolarHBondContact O-CG 3.48Å; P295-M299 PolarHBondContact O-N 3.3Å; E296-M299 PolarHBondContact O-N 2.77Å; M297-M299 VanDerWaalsContact C-N 3.32Å; M297-M299 PolarHBondContact O-N 2.97Å; M299-N302 PolarHBondContact O-N 3.4Å; M299-N303 VanDerWaalsContact O-CB 3.31Å; M299-N303 WeakPolarHBondContact O-CB 3.38Å; M299-N303 VanDerWaalsContact O-CG 3.24Å; M299-N303 PolarHBondContact O-N 3.12Å; M299-N303 PolarHBondContact O-ND2 3.17Å; M299-N303 VanDerWaalsContact O-ND2 3.1Å
300	R	96.5	Very high	95.8	Very high	71 Å²	71	60.9 Å²	60.9	27%	0.268	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-49.6	172	173.5	175.7	164.6	-89.6	-7.7	110.9	D258 E296 M297 L298 N303 L304	D258-R300 IonicContact OD1-CZ 2.69Å; D258-R300 IonicContact OD1-NH1 3.35Å; D258-R300 IonicContact OD1-NH2 2.91Å; D258-R300 PolarHBondContact OD1-NH2 3.48Å; D258-R300 IonicContact OD2-CZ 2.72Å; D258-R300 IonicContact OD2-NH1 3.75Å; D258-R300 PolarHBondContact OD2-NH1 3.4Å; D258-R300 IonicContact OD2-NH2 3.15Å; D258-R300 PolarHBondContact OD2-NH2 2.75Å; D258-R300 VanDerWaalsContact OD2-NH2 3.11Å; E296-R300 WeakPolarHBondContact O-CB 3.32Å; E296-R300 PolarHBondContact O-N 2.83Å; M297-R300 WeakPolarHBondContact O-CB 3.24Å; M297-R300 PolarHBondContact O-N 3.34Å; M297-R300 PolarHBondContact SD-NH1 3.36Å; L298-R300 VanDerWaalsContact C-N 3.34Å; L298-R300 PolarHBondContact O-N 2.94Å; R300-N303 PolarHBondContact O-N 2.98Å; R300-L304 HydrophobicContact CG-CD1 4.03Å; R300-L304 WeakPolarHBondContact O-CB 3.31Å; R300-L304 VanDerWaalsContact O-CG 3.3Å; R300-L304 WeakPolarHBondContact O-CG 3.41Å; R300-L304 PolarHBondContact O-N 3.43Å
301	W	97	Very high	95.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-44.1	177.3	-67.1	-38	0	0	0	112.4	D258 L261 V265 I279 L293 M297 L298 N303 L304 L305	D258-W301 PolarHBondContact OD2-NE1 3.29Å; L261-W301 HydrophobicContact CD1-CZ2 3.9Å; V265-W301 HydrophobicContact CG1-CB 4.42Å; V265-W301 HydrophobicContact CG1-CG 4.44Å; V265-W301 HydrophobicContact CG2-CD2 3.91Å; V265-W301 HydrophobicContact CG2-CG 4.04Å; V265-W301 HydrophobicContact CG2-CZ2 4.3Å; I279-W301 HydrophobicContact CG1-CE3 4.37Å; I279-W301 HydrophobicContact CG1-CH2 4.39Å; I279-W301 HydrophobicContact CG1-CZ3 3.98Å; I279-W301 HydrophobicContact CG2-CH2 4.34Å; L293-W301 HydrophobicContact CD1-CH2 3.86Å; L293-W301 HydrophobicContact CD1-CZ3 3.63Å; M297-W301 HydrophobicContact CG-CD2 4.13Å; M297-W301 HydrophobicContact CG-CE3 4.16Å; M297-W301 HydrophobicContact CG-CH2 3.56Å; M297-W301 HydrophobicContact CG-CZ2 3.52Å; M297-W301 HydrophobicContact CG-CZ3 3.89Å; M297-W301 PolarHBondContact O-N 3Å; M297-W301 HydrophobicContact SD-CZ2 3.98Å; L298-W301 PolarHBondContact O-N 3.31Å; W301-N303 VanDerWaalsContact C-N 3.34Å; W301-N303 PolarHBondContact O-N 2.97Å; W301-L304 PolarHBondContact O-N 2.75Å; W301-L305 VanDerWaalsContact O-CB 3.31Å; W301-L305 WeakPolarHBondContact O-CB 3.41Å; W301-L305 WeakPolarHBondContact O-CG 3.25Å; W301-L305 PolarHBondContact O-N 2.76Å
302	N	95.2	Very high	95.8	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-47.8	175.4	179.4	27.2	0	0	0	111.2	F277 L298 M299 L305 R306	F277-N302 HydrophobicContact CE1-CB 4.46Å; F277-N302 HydrophobicContact CZ-CB 3.89Å; L298-N302 WeakPolarHBondContact O-CB 3.48Å; L298-N302 PolarHBondContact O-N 2.88Å; M299-N302 PolarHBondContact O-N 3.4Å; N302-L305 PolarHBondContact O-N 2.92Å; N302-R306 WeakPolarHBondContact O-CG 3.38Å; N302-R306 PolarHBondContact O-N 3.27Å; N302-R306 VanDerWaalsContact O-N 3.16Å; N302-R306 PolarHBondContact OD1-NE 3.45Å
303	N	95.7	Very high	95.8	Very high	89 Å²	89	62.8 Å²	62.8	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-39.9	178.7	-75	-33.6	0	0	0	113.1	M299 R300 W301 R306	M299-N303 VanDerWaalsContact O-CB 3.31Å; M299-N303 WeakPolarHBondContact O-CB 3.38Å; M299-N303 VanDerWaalsContact O-CG 3.24Å; M299-N303 PolarHBondContact O-N 3.12Å; M299-N303 PolarHBondContact O-ND2 3.17Å; M299-N303 VanDerWaalsContact O-ND2 3.1Å; R300-N303 PolarHBondContact O-N 2.98Å; W301-N303 VanDerWaalsContact C-N 3.34Å; W301-N303 PolarHBondContact O-N 2.97Å; N303-R306 PolarHBondContact O-N 2.98Å
304	L	97.2	Very high	95.9	Very high	43 Å²	43	62.2 Å²	62.2	23%	0.225	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-47.6	175.3	-72.5	170.8	0	0	0	111.1	L256 R300 W301 R306 K307 F310	L256-L304 HydrophobicContact CD2-CB 3.65Å; L256-L304 HydrophobicContact CD2-CD1 4.05Å; L256-L304 HydrophobicContact CD2-CG 4.5Å; R300-L304 HydrophobicContact CG-CD1 4.03Å; R300-L304 WeakPolarHBondContact O-CB 3.31Å; R300-L304 VanDerWaalsContact O-CG 3.3Å; R300-L304 WeakPolarHBondContact O-CG 3.41Å; R300-L304 PolarHBondContact O-N 3.43Å; W301-L304 PolarHBondContact O-N 2.75Å; L304-R306 PolarHBondContact O-N 3.13Å; L304-K307 WeakPolarHBondContact O-CB 3.38Å; L304-K307 PolarHBondContact O-N 3.04Å; L304-F310 HydrophobicContact CB-CE2 4.29Å; L304-F310 HydrophobicContact CD2-CE2 4.26Å; L304-F310 WeakPolarHBondContact O-CD2 3.35Å
305	L	97.4	Very high	96	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-73.3	-2.3	-177.4	-68.5	168.1	0	0	0	113.9	W254 L256 V265 R267 F277 W301 N302 F310	W254-L305 HydrophobicContact CB-CD2 4.41Å; L256-L305 HydrophobicContact CB-CD2 4.17Å; L256-L305 HydrophobicContact CD2-CD1 4.29Å; L256-L305 HydrophobicContact CD2-CD2 3.75Å; L256-L305 HydrophobicContact CD2-CG 3.69Å; L256-L305 HydrophobicContact CG-CD2 3.86Å; L256-L305 HydrophobicContact CG-CG 4.21Å; V265-L305 HydrophobicContact CB-CD1 4.23Å; V265-L305 HydrophobicContact CG1-CD1 3.65Å; R267-L305 HydrophobicContact CB-CB 4.38Å; R267-L305 HydrophobicContact CB-CD1 3.89Å; F277-L305 HydrophobicContact CD1-CD1 4Å; F277-L305 HydrophobicContact CE1-CD1 3.91Å; W301-L305 VanDerWaalsContact O-CB 3.31Å; W301-L305 WeakPolarHBondContact O-CB 3.41Å; W301-L305 WeakPolarHBondContact O-CG 3.25Å; W301-L305 PolarHBondContact O-N 2.76Å; N302-L305 PolarHBondContact O-N 2.92Å; L305-F310 HydrophobicContact CD2-CB 4.23Å
306	R	94.9	Very high	96.2	Very high	122 Å²	122	61.2 Å²	61.2	46%	0.46	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.5	165.4	-75.1	172.6	-179.6	-125.8	-2.3	112.9	N302 N303 L304	N302-R306 WeakPolarHBondContact O-CG 3.38Å; N302-R306 PolarHBondContact O-N 3.27Å; N302-R306 VanDerWaalsContact O-N 3.16Å; N302-R306 PolarHBondContact OD1-NE 3.45Å; N303-R306 PolarHBondContact O-N 2.98Å; L304-R306 PolarHBondContact O-N 3.13Å
307	K	96.6	Very high	96.3	Very high	127 Å²	127	55.8 Å²	55.8	55%	0.552	25%	0.247	S	C	*	.	S	Bend	trans	-78.3	130.2	-178.4	-56.2	-173.5	-179.2	-162.2	0	110.6	L304 N309 F310	L304-K307 WeakPolarHBondContact O-CB 3.38Å; L304-K307 PolarHBondContact O-N 3.04Å; K307-N309 PolarHBondContact O-N 2.87Å; K307-F310 HydrophobicContact CB-CD2 4.19Å; K307-F310 PolarHBondContact O-N 2.83Å
308	R	96.2	Very high	96.4	Very high	166 Å²	166	54.1 Å²	54.1	63%	0.626	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-53.1	-26.3	-179	-65.6	-63.3	-65.5	154.2	-2.8	114.3	F310 Y311	R308-F310 PolarHBondContact O-N 3.01Å; R308-F310 VanDerWaalsContact O-N 3.14Å; R308-Y311 VanDerWaalsContact NH1-CG 3.3Å; R308-Y311 PolarHBondContact O-N 2.9Å
309	N	95.3	Very high	96.5	Very high	111 Å²	111	54 Å²	54	59%	0.594	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-55.2	-27.5	174.9	-177	65.7	0	0	0	114	K307	K307-N309 PolarHBondContact O-N 2.87Å
310	F	96.8	Very high	96.6	Very high	38 Å²	38	54.4 Å²	54.4	17%	0.167	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-98.6	3.9	-179.1	-63.3	-74.2	0	0	0	113.6	H253 W254 Y255 L256 L304 L305 K307 R308 K312	H253-F310 VanDerWaalsContact O-O 3.1Å; W254-F310 WeakPolarHBondContact CA-O 2.94Å; Y255-F310 PolarHBondContact N-O 2.73Å; Y255-F310 WeakPolarHBondContact O-CB 3.47Å; L256-F310 HydrophobicContact CB-CD1 3.55Å; L256-F310 HydrophobicContact CB-CE1 3.68Å; L256-F310 HydrophobicContact CB-CG 4.34Å; L304-F310 HydrophobicContact CB-CE2 4.29Å; L304-F310 HydrophobicContact CD2-CE2 4.26Å; L304-F310 WeakPolarHBondContact O-CD2 3.35Å; L305-F310 HydrophobicContact CD2-CB 4.23Å; K307-F310 HydrophobicContact CB-CD2 4.19Å; K307-F310 PolarHBondContact O-N 2.83Å; R308-F310 PolarHBondContact O-N 3.01Å; R308-F310 VanDerWaalsContact O-N 3.14Å; F310-K312 PolarHBondContact O-N 2.85Å
311	Y	97.5	Very high	96.5	Very high	55 Å²	55	51.6 Å²	51.6	22%	0.216	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	92.1	174.3	-170	-112.8	0	0	0	110.5	K221 H252 H253 W254 R308	K221-Y311 PolarHBondContact NZ-OH 2.93Å; H252-Y311 HydrophobicContact CB-CD1 3.92Å; H252-Y311 HydrophobicContact CB-CD2 4.27Å; H252-Y311 HydrophobicContact CB-CE1 3.48Å; H252-Y311 VanDerWaalsContact CB-CE1 3.48Å; H252-Y311 HydrophobicContact CB-CE2 3.85Å; H252-Y311 HydrophobicContact CB-CG 4.33Å; H252-Y311 VanDerWaalsContact CB-CZ 3.45Å; H252-Y311 WeakPolarHBondContact O-CE2 3.39Å; H253-Y311 WeakPolarHBondContact O-CA 3.29Å; W254-Y311 AromaticContact CD1-CD2 3.96Å; W254-Y311 AromaticContact CD2-CD2 3.48Å; W254-Y311 HydrophobicContact CD2-CD2 3.48Å; W254-Y311 VanDerWaalsContact CD2-CD2 3.48Å; W254-Y311 HydrophobicContact CD2-CE2 4.31Å; W254-Y311 HydrophobicContact CD2-CG 4.18Å; W254-Y311 AromaticContact CE2-CD2 3.39Å; W254-Y311 AromaticContact CE2-CE2 3.87Å; W254-Y311 AromaticContact CE3-CD2 3.98Å; W254-Y311 HydrophobicContact CE3-CD2 3.98Å; W254-Y311 HydrophobicContact CE3-CG 4.23Å; W254-Y311 AromaticContact CG-CD2 3.85Å; W254-Y311 HydrophobicContact CG-CD2 3.85Å; W254-Y311 HydrophobicContact CG-CE2 4.47Å; W254-Y311 HydrophobicContact CH2-CD2 4.36Å; W254-Y311 HydrophobicContact CH2-CG 4.33Å; W254-Y311 AromaticContact CZ2-CD2 3.85Å; W254-Y311 HydrophobicContact CZ2-CD2 3.85Å; W254-Y311 HydrophobicContact CZ2-CE2 4.33Å; W254-Y311 HydrophobicContact CZ2-CG 4.22Å; W254-Y311 HydrophobicContact CZ3-CD2 4.41Å; W254-Y311 HydrophobicContact CZ3-CG 4.33Å; W254-Y311 AromaticContact NE1-CD2 3.7Å; W254-Y311 AromaticContact NE1-CE2 3.76Å; R308-Y311 VanDerWaalsContact NH1-CG 3.3Å; R308-Y311 PolarHBondContact O-N 2.9Å
312	K	95.5	Very high	96.3	Very high	87 Å²	87	53.8 Å²	53.8	38%	0.378	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	157.5	-168.2	-57.1	176.7	76.4	163.3	0	111.2	H252 H253 Y255 F310	H252-K312 WeakPolarHBondContact CA-O 3.48Å; H253-K312 PolarHBondContact N-O 2.89Å; H253-K312 PolarHBondContact O-N 2.95Å; Y255-K312 HydrophobicContact CE1-CB 3.78Å; F310-K312 PolarHBondContact O-N 2.85Å
313	K	94.4	Very high	96.2	Very high	84 Å²	84	53.6 Å²	53.6	37%	0.365	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	138.6	170.1	-64	-173.6	176.4	-165.9	0	110.2	H252 Q391 H395	H252-K313 PolarHBondContact CD2-N 2.9Å; H252-K313 VanDerWaalsContact NE2-CG 3.31Å; H252-K313 WeakPolarHBondContact NE2-CG 3.19Å; K313-Q391 HydrophobicContact CD-CG 4.27Å; K313-Q391 VanDerWaalsContact NZ-CD 3.27Å; K313-H395 PolarHBondContact O-ND1 2.96Å
314	L	96.3	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.231	C	C	.	.			trans	-148.5	132.2	-176.9	-178.7	65.8	0	0	0	110	H253 Y255 L266 L316 N393 H395 L397	H253-L314 HydrophobicContact CB-CB 4.27Å; H253-L314 HydrophobicContact CB-CD2 3.94Å; Y255-L314 HydrophobicContact CD1-CB 4.26Å; Y255-L314 HydrophobicContact CD1-CD1 4.42Å; Y255-L314 HydrophobicContact CD1-CD2 3.94Å; Y255-L314 HydrophobicContact CD1-CG 4.44Å; Y255-L314 HydrophobicContact CE1-CB 3.92Å; Y255-L314 HydrophobicContact CE1-CD1 4.08Å; Y255-L314 HydrophobicContact CE1-CD2 4.33Å; Y255-L314 HydrophobicContact CE1-CG 4.34Å; Y255-L314 HydrophobicContact CE2-CD1 4.38Å; Y255-L314 HydrophobicContact CG-CD2 4.22Å; L266-L314 HydrophobicContact CD1-CD2 4.12Å; L314-L316 HydrophobicContact CD2-CB 4.18Å; L314-L316 HydrophobicContact CD2-CD1 4.4Å; L314-L316 HydrophobicContact CG-CB 4.34Å; L314-L316 PolarHBondContact O-N 2.83Å; L314-N393 PolarHBondContact O-ND2 2.84Å; L314-H395 HydrophobicContact CD1-CB 4.18Å; L314-L397 HydrophobicContact CD1-CB 4Å; L314-L397 HydrophobicContact CD1-CD1 4.21Å; L314-L397 HydrophobicContact CD1-CG 3.94Å; L314-L397 HydrophobicContact CD2-CB 4.25Å; L314-L397 HydrophobicContact CD2-CD1 3.96Å; L314-L397 HydrophobicContact CD2-CG 4.42Å
315	E	97.6	Very high	95.8	Very high	51 Å²	51	49.3 Å²	49.3	24%	0.238	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	102.6	159.3	-177.3	-176.3	138.2	0	0	108.3	L247 D249 H317 N393 H395 I396 L397	L247-E315 HydrophobicContact CD1-CG 3.93Å; D249-E315 HydrophobicContact CB-CB 4.27Å; D249-E315 HydrophobicContact CB-CG 4.08Å; E315-H317 IonicContact OE1-CD2 3.69Å; E315-H317 IonicContact OE1-CE1 3.61Å; E315-H317 IonicContact OE1-NE2 2.61Å; E315-H317 PolarHBondContact OE1-NE2 2.92Å; E315-N393 HydrophobicContact CB-CB 4.19Å; E315-N393 PolarHBondContact N-ND2 2.93Å; E315-H395 PolarHBondContact N-O 3.4Å; E315-I396 HydrophobicContact CB-CB 4.39Å; E315-I396 HydrophobicContact CB-CG1 4.18Å; E315-I396 HydrophobicContact CG-CD1 4.4Å; E315-I396 HydrophobicContact CG-CG1 4.25Å; E315-I396 WeakPolarHBondContact O-CA 3.15Å; E315-I396 VanDerWaalsContact OE1-CD1 3.31Å; E315-I396 WeakPolarHBondContact OE1-CD1 3.34Å; E315-L397 PolarHBondContact O-N 2.8Å
316	L	98.4	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.9	-177	176.6	59.4	0	0	0	110.7	F223 L247 Q248 L266 M268 L314 L318 L397 F399	F223-L316 HydrophobicContact CE1-CD2 4.14Å; F223-L316 HydrophobicContact CE1-CG 4.37Å; F223-L316 HydrophobicContact CZ-CD2 3.88Å; F223-L316 HydrophobicContact CZ-CG 4.49Å; L247-L316 WeakPolarHBondContact CA-O 3.23Å; Q248-L316 PolarHBondContact N-O 2.96Å; Q248-L316 PolarHBondContact O-N 2.79Å; L266-L316 HydrophobicContact CD2-CD1 3.56Å; L266-L316 HydrophobicContact CD2-CD2 3.79Å; L266-L316 HydrophobicContact CD2-CG 4.35Å; M268-L316 HydrophobicContact CE-CD2 4.41Å; M268-L316 HydrophobicContact SD-CD2 3.83Å; L314-L316 HydrophobicContact CD2-CB 4.18Å; L314-L316 HydrophobicContact CD2-CD1 4.4Å; L314-L316 HydrophobicContact CG-CB 4.34Å; L314-L316 PolarHBondContact O-N 2.83Å; L316-L318 HydrophobicContact CD1-CB 4.49Å; L316-L318 HydrophobicContact CG-CB 4.42Å; L316-L397 HydrophobicContact CD1-CB 4.49Å; L316-F399 HydrophobicContact CD1-CD2 3.94Å; L316-F399 HydrophobicContact CD1-CE2 3.81Å
317	H	98.5	Very high	95.7	Very high	18 Å²	18	47.6 Å²	47.6	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.1	167.3	-61	-118.3	0	0	0	108.6	M245 M246 L247 E315 L397 R398 F399	M245-H317 HydrophobicContact CG-CB 3.89Å; M245-H317 HydrophobicContact SD-CB 4Å; M246-H317 WeakPolarHBondContact O-CA 3.26Å; L247-H317 WeakPolarHBondContact CD1-NE2 3.44Å; E315-H317 IonicContact OE1-CD2 3.69Å; E315-H317 IonicContact OE1-CE1 3.61Å; E315-H317 IonicContact OE1-NE2 2.61Å; E315-H317 PolarHBondContact OE1-NE2 2.92Å; H317-L397 PolarHBondContact N-O 2.92Å; H317-R398 HydrophobicContact CB-CB 4.31Å; H317-R398 HydrophobicContact CB-CG 4.05Å; H317-F399 PolarHBondContact O-N 2.72Å
318	L	98.3	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.7	-179	-170.1	72.9	0	0	0	109	F223 M246 M268 F278 L316 V370 F399	F223-L318 HydrophobicContact CE1-CB 4.37Å; F223-L318 HydrophobicContact CE2-CD2 4.27Å; F223-L318 HydrophobicContact CZ-CB 4.04Å; F223-L318 HydrophobicContact CZ-CD2 3.96Å; M246-L318 WeakPolarHBondContact CA-O 3.41Å; M246-L318 VanDerWaalsContact CB-O 3.29Å; M246-L318 WeakPolarHBondContact CB-O 3.24Å; M246-L318 HydrophobicContact CE-CB 4.19Å; M246-L318 HydrophobicContact CE-CD2 3.98Å; M246-L318 HydrophobicContact CE-CG 4.2Å; M246-L318 PolarHBondContact N-O 3.36Å; M246-L318 PolarHBondContact O-N 2.79Å; M246-L318 VanDerWaalsContact O-N 3.11Å; M268-L318 HydrophobicContact SD-CD2 4.07Å; F278-L318 HydrophobicContact CD1-CD1 4.19Å; F278-L318 HydrophobicContact CD2-CD1 4.47Å; F278-L318 HydrophobicContact CE1-CD1 4.17Å; F278-L318 HydrophobicContact CE2-CD1 4.44Å; F278-L318 HydrophobicContact CE2-CD2 4.01Å; F278-L318 HydrophobicContact CG-CD1 4.34Å; F278-L318 HydrophobicContact CZ-CD1 4.3Å; F278-L318 HydrophobicContact CZ-CD2 3.93Å; L316-L318 HydrophobicContact CD1-CB 4.49Å; L316-L318 HydrophobicContact CG-CB 4.42Å; L318-V370 HydrophobicContact CD2-CG1 4.25Å; L318-F399 HydrophobicContact CD1-CB 3.92Å; L318-F399 HydrophobicContact CD1-CD1 4.31Å; L318-F399 HydrophobicContact CD1-CD2 3.72Å; L318-F399 HydrophobicContact CD1-CE2 4.36Å; L318-F399 HydrophobicContact CD1-CG 3.71Å
319	P	97.8	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.3	-179.9	25.7	-30.7	0	0	0	110	F233 V243 M245 F321 F399 F403 P424	F233-P319 HydrophobicContact CE2-CG 4.38Å; V243-P319 HydrophobicContact CG2-CB 4.04Å; M245-P319 HydrophobicContact CE-CB 4.3Å; M245-P319 HydrophobicContact SD-CB 4.24Å; M245-P319 VanDerWaalsContact SD-N 3.38Å; P319-F321 HydrophobicContact CB-CD1 4Å; P319-F321 HydrophobicContact CG-CD1 3.77Å; P319-F321 HydrophobicContact CG-CE1 4.03Å; P319-F321 WeakPolarHBondContact O-CD1 3.38Å; P319-F399 WeakPolarHBondContact CD-O 3.27Å; P319-F403 HydrophobicContact CG-CE1 3.91Å; P319-F403 HydrophobicContact CG-CZ 4.04Å; P319-P424 HydrophobicContact CB-CB 4.47Å; P319-P424 HydrophobicContact CB-CG 4.5Å; P319-P424 HydrophobicContact CG-CG 4.46Å
320	K	96.5	Very high	95.8	Very high	76 Å²	76	31.4 Å²	31.4	33%	0.33	16%	0.161	S	C	.	.			trans	-85.7	122.6	161	171.1	173.7	-170.7	155.8	0	107.5	P244 M246 V370 D371 E372	P244-K320 HydrophobicContact CB-CB 4.27Å; P244-K320 PolarHBondContact O-N 2.81Å; M246-K320 HydrophobicContact CG-CB 3.89Å; M246-K320 HydrophobicContact SD-CB 4.05Å; K320-V370 WeakPolarHBondContact CA-O 3.46Å; K320-V370 WeakPolarHBondContact CG-O 3.4Å; K320-D371 HydrophobicContact CD-CB 4.33Å; K320-D371 HydrophobicContact CG-CB 4.35Å; K320-E372 WeakPolarHBondContact CD-OE2 3.36Å; K320-E372 IonicContact NZ-OE1 3.81Å; K320-E372 IonicContact NZ-OE2 2.7Å; K320-E372 PolarHBondContact NZ-OE2 3.43Å
321	F	94.1	Very high	95.7	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.057	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	165.4	-174.5	64.7	-90.1	0	0	0	111.9	P319 I323 V370 F403 V421 P424	P319-F321 HydrophobicContact CB-CD1 4Å; P319-F321 HydrophobicContact CG-CD1 3.77Å; P319-F321 HydrophobicContact CG-CE1 4.03Å; P319-F321 WeakPolarHBondContact O-CD1 3.38Å; F321-I323 HydrophobicContact CD2-CB 4.46Å; F321-I323 HydrophobicContact CD2-CG1 4.37Å; F321-I323 HydrophobicContact CD2-CG2 3.67Å; F321-I323 HydrophobicContact CE2-CD1 3.96Å; F321-I323 HydrophobicContact CE2-CG1 4.01Å; F321-I323 HydrophobicContact CE2-CG2 3.93Å; F321-V370 HydrophobicContact CD1-CB 4.15Å; F321-V370 HydrophobicContact CE1-CB 3.82Å; F321-V370 HydrophobicContact CE1-CG1 4.1Å; F321-V370 HydrophobicContact CE1-CG2 3.91Å; F321-V370 HydrophobicContact CE2-CB 4.4Å; F321-V370 HydrophobicContact CE2-CG2 3.99Å; F321-V370 HydrophobicContact CZ-CB 3.98Å; F321-V370 HydrophobicContact CZ-CG2 3.57Å; F321-V370 PolarHBondContact N-O 2.58Å; F321-V370 VanDerWaalsContact N-O 3.08Å; F321-V370 PolarHBondContact O-N 2.67Å; F321-F403 HydrophobicContact CE1-CE2 4.36Å; F321-F403 AromaticContact CE1-CZ 3.71Å; F321-F403 HydrophobicContact CE1-CZ 3.71Å; F321-F403 HydrophobicContact CZ-CE2 4.21Å; F321-F403 AromaticContact CZ-CZ 3.9Å; F321-F403 HydrophobicContact CZ-CZ 3.9Å; F321-V421 HydrophobicContact CE2-CG2 3.78Å; F321-V421 HydrophobicContact CZ-CG2 3.86Å; F321-P424 HydrophobicContact CB-CB 3.65Å; F321-P424 WeakPolarHBondContact CB-O 3.32Å; F321-P424 HydrophobicContact CD1-CB 4.45Å; F321-P424 HydrophobicContact CG-CB 4.1Å
322	S	93	Very high	95.7	Very high	45 Å²	45	33.3 Å²	33.3	32%	0.315	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133	166.6	-173	0	0	0	0	107.3	L368 D369	S322-L368 WeakPolarHBondContact CA-O 3.21Å; S322-D369 VanDerWaalsContact CB-OD1 3.23Å; S322-D369 WeakPolarHBondContact CB-OD1 3.39Å; S322-D369 PolarHBondContact OG-OD1 3.04Å
323	I	92.6	Very high	95.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.2	173.5	59.1	177.9	0	0	0	110.2	F76 F321 T367 L368 V421	F76-I323 HydrophobicContact CB-CD1 3.92Å; F76-I323 HydrophobicContact CB-CG1 4.22Å; F76-I323 HydrophobicContact CD1-CD1 4.49Å; F76-I323 HydrophobicContact CD1-CG1 4.38Å; F76-I323 HydrophobicContact CD2-CD1 3.41Å; F76-I323 VanDerWaalsContact CD2-CD1 3.41Å; F76-I323 HydrophobicContact CD2-CG1 4.15Å; F76-I323 HydrophobicContact CE2-CD1 4.08Å; F76-I323 HydrophobicContact CG-CD1 3.67Å; F76-I323 HydrophobicContact CG-CG1 3.97Å; F321-I323 HydrophobicContact CD2-CB 4.46Å; F321-I323 HydrophobicContact CD2-CG1 4.37Å; F321-I323 HydrophobicContact CD2-CG2 3.67Å; F321-I323 HydrophobicContact CE2-CD1 3.96Å; F321-I323 HydrophobicContact CE2-CG1 4.01Å; F321-I323 HydrophobicContact CE2-CG2 3.93Å; I323-T367 CarbonylContact O-C 3.6Å; I323-T367 VanDerWaalsContact O-CA 3.31Å; I323-T367 WeakPolarHBondContact O-CA 3.4Å; I323-L368 HydrophobicContact CD1-CB 4.49Å; I323-L368 HydrophobicContact CD1-CD2 4.33Å; I323-L368 HydrophobicContact CG1-CB 3.99Å; I323-L368 PolarHBondContact N-O 3.19Å; I323-L368 PolarHBondContact O-N 2.95Å; I323-V421 HydrophobicContact CD1-CG2 3.83Å; I323-V421 HydrophobicContact CG2-CG2 4.31Å
324	S	91.9	Very high	95.9	Very high	36 Å²	36	26.9 Å²	26.9	25%	0.252	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.7	170.9	73.6	0	0	0	0	111.6	A366 P427	S324-A366 CarbonylContact C-O 3.57Å; S324-A366 WeakPolarHBondContact CA-O 3.47Å; S324-A366 WeakPolarHBondContact CB-O 3.28Å; S324-P427 WeakPolarHBondContact CA-OXT 3.29Å; S324-P427 WeakPolarHBondContact CB-OXT 3.46Å; S324-P427 PolarHBondContact N-OXT 2.82Å; S324-P427 PolarHBondContact OG-OXT 3.1Å
325	G	92.7	Very high	95.9	Very high	7 Å²	7	33 Å²	33	7%	0.072	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	127	167.9	0	0	0	0	0	109	F76 K365 A366	F76-G325 VanDerWaalsContact O-CA 3.29Å; F76-G325 WeakPolarHBondContact O-CA 3.38Å; G325-K365 VanDerWaalsContact O-CA 3.26Å; G325-K365 WeakPolarHBondContact O-CA 3.41Å; G325-A366 PolarHBondContact N-O 2.75Å; G325-A366 PolarHBondContact O-N 3.07Å
326	S	94.2	Very high	95.9	Very high	65 Å²	65	31.7 Å²	31.7	46%	0.455	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.6	176.7	-165	0	0	0	0	109.3	H364	S326-H364 CarbonylContact C-O 3.56Å; S326-H364 WeakPolarHBondContact CA-O 3.45Å
327	Y	96.3	Very high	95.7	Very high	20 Å²	20	33.2 Å²	33.2	8%	0.078	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.1	-170.3	-61.4	-81.6	0	0	0	111.1	F62 I66 F76 F77 L329 I332 F363 H364	F62-Y327 HydrophobicContact CZ-CG 4.49Å; I66-Y327 HydrophobicContact CD1-CD1 3.95Å; I66-Y327 HydrophobicContact CD1-CE1 3.84Å; I66-Y327 HydrophobicContact CG1-CE1 4.02Å; I66-Y327 HydrophobicContact CG2-CE1 3.81Å; F76-Y327 PolarHBondContact N-OH 2.87Å; F76-Y327 WeakPolarHBondContact O-CE2 3.35Å; F77-Y327 HydrophobicContact CB-CD2 4.17Å; F77-Y327 HydrophobicContact CB-CE2 3.69Å; Y327-L329 PolarHBondContact O-N 2.87Å; Y327-I332 HydrophobicContact CD1-CD1 3.76Å; Y327-I332 HydrophobicContact CG-CD1 4.23Å; Y327-F363 WeakPolarHBondContact O-CA 3.35Å; Y327-H364 AromaticContact CD2-CD2 3.89Å; Y327-H364 PolarHBondContact N-O 2.8Å; Y327-H364 PolarHBondContact O-N 2.99Å
328	V	96.7	Very high	95.6	Very high	44 Å²	44	32.4 Å²	32.4	27%	0.267	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	92.2	171.4	-174.2	0	0	0	0	107.7	D330 Q331 I332 S362 F363	V328-D330 VanDerWaalsContact C-N 3.31Å; V328-D330 VanDerWaalsContact CG1-OD1 3.23Å; V328-D330 WeakPolarHBondContact CG1-OD1 3.29Å; V328-D330 PolarHBondContact O-N 3.06Å; V328-Q331 HydrophobicContact CG1-CG 3.93Å; V328-Q331 PolarHBondContact O-N 3.31Å; V328-Q331 VanDerWaalsContact O-N 3.14Å; V328-I332 PolarHBondContact O-N 2.96Å; V328-S362 CarbonylContact C-O 3.58Å; V328-F363 HydrophobicContact CG1-CD1 4.49Å; V328-F363 HydrophobicContact CG1-CE1 4.17Å; V328-F363 HydrophobicContact CG2-CD1 4.11Å; V328-F363 HydrophobicContact CG2-CE1 4.05Å
329	L	97.3	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-29.9	-168.3	-65.5	-178.6	0	0	0	113.2	F62 I82 Y86 Y327 Q331 I332 L333 S362 H364	F62-L329 HydrophobicContact CE2-CD2 3.77Å; F62-L329 HydrophobicContact CZ-CD2 3.79Å; I82-L329 HydrophobicContact CD1-CD2 4.15Å; I82-L329 HydrophobicContact CG1-CD1 4.2Å; I82-L329 HydrophobicContact CG2-CD1 4.11Å; Y86-L329 HydrophobicContact CE2-CD1 3.71Å; Y86-L329 WeakPolarHBondContact OH-CB 3.44Å; Y327-L329 PolarHBondContact O-N 2.87Å; L329-Q331 PolarHBondContact O-N 2.79Å; L329-Q331 VanDerWaalsContact O-N 3.16Å; L329-I332 PolarHBondContact O-N 2.95Å; L329-L333 HydrophobicContact CB-CD1 3.97Å; L329-L333 HydrophobicContact CB-CG 4.14Å; L329-L333 HydrophobicContact CD2-CG 4.44Å; L329-L333 WeakPolarHBondContact O-CB 3.39Å; L329-L333 WeakPolarHBondContact O-CG 3.49Å; L329-L333 PolarHBondContact O-N 3.35Å; L329-S362 PolarHBondContact N-O 2.96Å; L329-H364 HydrophobicContact CD1-CB 3.83Å; L329-H364 HydrophobicContact CD2-CB 4.3Å; L329-H364 HydrophobicContact CG-CB 4.07Å
330	D	94.9	Very high	95.2	Very high	21 Å²	21	37 Å²	37	11%	0.112	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-20.2	175.5	59.1	-87.4	0	0	0	113.3	V328 P334 F342 K361 S362	V328-D330 VanDerWaalsContact C-N 3.31Å; V328-D330 VanDerWaalsContact CG1-OD1 3.23Å; V328-D330 WeakPolarHBondContact CG1-OD1 3.29Å; V328-D330 PolarHBondContact O-N 3.06Å; D330-P334 WeakPolarHBondContact O-CD 3.13Å; D330-P334 WeakPolarHBondContact O-CG 3.38Å; D330-F342 HydrophobicContact CB-CD1 3.53Å; D330-F342 HydrophobicContact CB-CE1 3.48Å; D330-F342 VanDerWaalsContact CB-CE1 3.48Å; D330-F342 HydrophobicContact CB-CG 4.13Å; D330-F342 HydrophobicContact CB-CZ 4.04Å; D330-K361 WeakPolarHBondContact OD1-CA 3.42Å; D330-K361 IonicContact OD1-NZ 3.09Å; D330-K361 PolarHBondContact OD1-NZ 3.19Å; D330-K361 IonicContact OD2-NZ 2.78Å; D330-K361 PolarHBondContact OD2-NZ 3.15Å; D330-S362 PolarHBondContact OD1-N 3.15Å
331	Q	95.5	Very high	95	Very high	118 Å²	118	33.5 Å²	33.5	55%	0.551	19%	0.191	S	C	*	.	H	α-helix	trans	-94.2	-24.8	174.6	-61.5	176.4	-0.5	0	0	112.5	V328 L329 R335	V328-Q331 HydrophobicContact CG1-CG 3.93Å; V328-Q331 PolarHBondContact O-N 3.31Å; V328-Q331 VanDerWaalsContact O-N 3.14Å; L329-Q331 PolarHBondContact O-N 2.79Å; L329-Q331 VanDerWaalsContact O-N 3.16Å; Q331-R335 PolarHBondContact O-NE 3.4Å; Q331-R335 PolarHBondContact O-NH2 3.12Å
332	I	97.1	Very high	94.9	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.072	20%	0.197	C	C	.	.	H	α-helix	trans	-91.2	-53.6	-173.3	-65.6	162.3	0	0	0	110.9	F62 L65 I66 Y327 V328 L329 R335	F62-I332 HydrophobicContact CD2-CG2 4.45Å; F62-I332 HydrophobicContact CE2-CG2 3.73Å; F62-I332 HydrophobicContact CZ-CG2 3.98Å; L65-I332 HydrophobicContact CD2-CG2 3.78Å; I66-I332 HydrophobicContact CD1-CD1 4Å; I66-I332 HydrophobicContact CD1-CG1 4.39Å; I66-I332 HydrophobicContact CD1-CG2 4.01Å; Y327-I332 HydrophobicContact CD1-CD1 3.76Å; Y327-I332 HydrophobicContact CG-CD1 4.23Å; V328-I332 PolarHBondContact O-N 2.96Å; L329-I332 PolarHBondContact O-N 2.95Å; I332-R335 WeakPolarHBondContact O-CB 3.43Å; I332-R335 PolarHBondContact O-N 2.98Å; I332-R335 VanDerWaalsContact O-N 3.13Å
333	L	97.3	Very high	94.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63	-26.2	-170.7	-64.7	-178.1	0	0	0	115.9	F58 F62 Y86 L329 R335 L336 G337 F338 F342	F58-L333 HydrophobicContact CE2-CD2 4.16Å; F58-L333 HydrophobicContact CZ-CD2 3.95Å; F62-L333 HydrophobicContact CD2-CD2 3.98Å; F62-L333 HydrophobicContact CE2-CD2 3.82Å; Y86-L333 HydrophobicContact CD1-CD1 3.96Å; Y86-L333 HydrophobicContact CD2-CD1 4.23Å; Y86-L333 HydrophobicContact CE1-CD1 3.29Å; Y86-L333 HydrophobicContact CE2-CD1 3.65Å; Y86-L333 HydrophobicContact CG-CD1 4.38Å; Y86-L333 VanDerWaalsContact OH-CD1 3.29Å; Y86-L333 WeakPolarHBondContact OH-CD1 3.23Å; L329-L333 HydrophobicContact CB-CD1 3.97Å; L329-L333 HydrophobicContact CB-CG 4.14Å; L329-L333 HydrophobicContact CD2-CG 4.44Å; L329-L333 WeakPolarHBondContact O-CB 3.39Å; L329-L333 WeakPolarHBondContact O-CG 3.49Å; L329-L333 PolarHBondContact O-N 3.35Å; L333-R335 PolarHBondContact O-N 3.09Å; L333-R335 VanDerWaalsContact O-N 3.12Å; L333-L336 HydrophobicContact CD2-CD1 4.11Å; L333-L336 CarbonylContact O-C 3.37Å; L333-L336 WeakPolarHBondContact O-CA 3.44Å; L333-L336 PolarHBondContact O-N 3.48Å; L333-G337 PolarHBondContact O-N 3.43Å; L333-F338 HydrophobicContact CB-CB 3.78Å; L333-F338 HydrophobicContact CB-CD2 3.79Å; L333-F338 HydrophobicContact CB-CG 3.82Å; L333-F338 HydrophobicContact CD1-CD1 4.48Å; L333-F338 HydrophobicContact CD1-CG 4.45Å; L333-F338 HydrophobicContact CD2-CD2 4.33Å; L333-F338 HydrophobicContact CD2-CE2 4.29Å; L333-F338 HydrophobicContact CG-CD2 4.47Å; L333-F338 WeakPolarHBondContact O-CB 3.46Å; L333-F338 WeakPolarHBondContact O-CD2 3.49Å; L333-F338 PolarHBondContact O-N 2.87Å; L333-F338 VanDerWaalsContact O-N 3.1Å; L333-F342 HydrophobicContact CB-CE2 4.11Å
334	P	96.6	Very high	94.7	Very high	37 Å²	37	40.1 Å²	40.1	24%	0.24	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-53.3	-32.8	171.9	-30.1	36.8	0	0	0	113.7	D330 L336 G337 T339 F342	D330-P334 WeakPolarHBondContact O-CD 3.13Å; D330-P334 WeakPolarHBondContact O-CG 3.38Å; P334-L336 VanDerWaalsContact C-N 3.25Å; P334-L336 PolarHBondContact O-N 2.71Å; P334-G337 PolarHBondContact O-N 2.93Å; P334-T339 HydrophobicContact CB-CG2 4.24Å; P334-T339 VanDerWaalsContact O-CG2 3.22Å; P334-T339 WeakPolarHBondContact O-CG2 3.31Å; P334-F342 HydrophobicContact CG-CD2 3.96Å
335	R	96.5	Very high	94.7	Very high	129 Å²	129	46.6 Å²	46.6	49%	0.487	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-74.4	-13.6	176.9	-70.8	168.4	-82.6	-168.1	-1.4	113.8	L65 E69 Q331 I332 L333	L65-R335 HydrophobicContact CD1-CB 3.52Å; E69-R335 IonicContact OE1-CZ 3.75Å; E69-R335 IonicContact OE1-NE 3.77Å; E69-R335 IonicContact OE1-NH1 3.89Å; E69-R335 PolarHBondContact OE1-NH1 2.93Å; E69-R335 IonicContact OE2-CZ 2.69Å; E69-R335 IonicContact OE2-NH1 3.83Å; E69-R335 PolarHBondContact OE2-NH1 2.84Å; E69-R335 IonicContact OE2-NH2 2.85Å; Q331-R335 PolarHBondContact O-NE 3.4Å; Q331-R335 PolarHBondContact O-NH2 3.12Å; I332-R335 WeakPolarHBondContact O-CB 3.43Å; I332-R335 PolarHBondContact O-N 2.98Å; I332-R335 VanDerWaalsContact O-N 3.13Å; L333-R335 PolarHBondContact O-N 3.09Å; L333-R335 VanDerWaalsContact O-N 3.12Å
336	L	96.8	Very high	94.7	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.115	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-104.6	16.4	174.5	-61.5	176.7	0	0	0	112.4	F58 R61 F62 L65 L333 P334 F338	F58-L336 HydrophobicContact CE2-CD1 4.15Å; R61-L336 HydrophobicContact CB-CD2 4.31Å; F62-L336 HydrophobicContact CB-CD1 4.05Å; F62-L336 HydrophobicContact CD2-CD1 3.62Å; F62-L336 HydrophobicContact CG-CD1 4.2Å; L65-L336 HydrophobicContact CB-CD2 4.31Å; L65-L336 HydrophobicContact CD1-CD1 4.41Å; L65-L336 HydrophobicContact CD1-CD2 3.69Å; L65-L336 HydrophobicContact CD1-CG 3.77Å; L333-L336 HydrophobicContact CD2-CD1 4.11Å; L333-L336 CarbonylContact O-C 3.37Å; L333-L336 WeakPolarHBondContact O-CA 3.44Å; L333-L336 PolarHBondContact O-N 3.48Å; P334-L336 VanDerWaalsContact C-N 3.25Å; P334-L336 PolarHBondContact O-N 2.71Å; L336-F338 HydrophobicContact CB-CD2 4.25Å; L336-F338 HydrophobicContact CB-CE2 4.32Å
337	G	95.2	Very high	94.8	Very high	33 Å²	33	46 Å²	46	34%	0.34	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-0.1	175.3	0	0	0	0	0	115.4	Q100 L333 P334 T339	Q100-G337 WeakPolarHBondContact CG-O 3.43Å; Q100-G337 PolarHBondContact OE1-O 2.77Å; Q100-G337 VanDerWaalsContact OE1-O 3.12Å; L333-G337 PolarHBondContact O-N 3.43Å; P334-G337 PolarHBondContact O-N 2.93Å; G337-T339 PolarHBondContact O-N 2.86Å; G337-T339 VanDerWaalsContact O-N 3.14Å
338	F	95.7	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.			trans	-88.4	43	-179.8	-60.6	-108.2	0	0	0	112.5	F58 Y86 I101 G104 L105 L333 L336 L341 F342	F58-F338 HydrophobicContact CE2-CE2 4.05Å; F58-F338 HydrophobicContact CE2-CZ 4.25Å; Y86-F338 AromaticContact CD1-CD1 3.91Å; Y86-F338 HydrophobicContact CD1-CD1 3.91Å; Y86-F338 AromaticContact CD1-CE1 3.79Å; Y86-F338 HydrophobicContact CD1-CE1 3.79Å; Y86-F338 HydrophobicContact CE1-CD1 4.3Å; Y86-F338 HydrophobicContact CG-CE1 4.32Å; I101-F338 HydrophobicContact CB-CE1 4.45Å; I101-F338 HydrophobicContact CG1-CD1 4.46Å; I101-F338 HydrophobicContact CG2-CE1 4.09Å; I101-F338 WeakPolarHBondContact O-CE1 3.33Å; G104-F338 VanDerWaalsContact C-CE2 3.49Å; G104-F338 VanDerWaalsContact C-CZ 3.48Å; L105-F338 HydrophobicContact CD2-CE1 4.4Å; L105-F338 HydrophobicContact CD2-CZ 3.81Å; L105-F338 HydrophobicContact CG-CE1 4.23Å; L105-F338 HydrophobicContact CG-CZ 3.84Å; L333-F338 HydrophobicContact CB-CB 3.78Å; L333-F338 HydrophobicContact CB-CD2 3.79Å; L333-F338 HydrophobicContact CB-CG 3.82Å; L333-F338 HydrophobicContact CD1-CD1 4.48Å; L333-F338 HydrophobicContact CD1-CG 4.45Å; L333-F338 HydrophobicContact CD2-CD2 4.33Å; L333-F338 HydrophobicContact CD2-CE2 4.29Å; L333-F338 HydrophobicContact CG-CD2 4.47Å; L333-F338 WeakPolarHBondContact O-CB 3.46Å; L333-F338 WeakPolarHBondContact O-CD2 3.49Å; L333-F338 PolarHBondContact O-N 2.87Å; L333-F338 VanDerWaalsContact O-N 3.1Å; L336-F338 HydrophobicContact CB-CD2 4.25Å; L336-F338 HydrophobicContact CB-CE2 4.32Å; F338-L341 HydrophobicContact CD1-CD2 4.42Å; F338-F342 HydrophobicContact CB-CD2 4.47Å; F338-F342 HydrophobicContact CB-CE2 4.2Å; F338-F342 WeakPolarHBondContact O-CD2 3.31Å
339	T	94	Very high	94.8	Very high	79 Å²	79	45.3 Å²	45.3	49%	0.485	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-38	-172.8	53.1	0	0	0	0	113.6	Q100 P334 G337 S343	Q100-T339 PolarHBondContact NE2-OG1 3.38Å; P334-T339 HydrophobicContact CB-CG2 4.24Å; P334-T339 VanDerWaalsContact O-CG2 3.22Å; P334-T339 WeakPolarHBondContact O-CG2 3.31Å; G337-T339 PolarHBondContact O-N 2.86Å; G337-T339 VanDerWaalsContact O-N 3.14Å; T339-S343 WeakPolarHBondContact O-CB 3.47Å
340	D	93.4	Very high	94.8	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.091	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-41.8	-176	-177.5	73.4	0	0	0	110.6	H96 S97 Q100 F342 S343 W345 A346	H96-D340 IonicContact ND1-OD2 3.77Å; S97-D340 VanDerWaalsContact CA-OD2 3.28Å; S97-D340 WeakPolarHBondContact CA-OD2 3.39Å; S97-D340 WeakPolarHBondContact CB-OD2 3.33Å; S97-D340 PolarHBondContact OG-OD2 2.86Å; Q100-D340 VanDerWaalsContact CD-CB 3.49Å; Q100-D340 VanDerWaalsContact OE1-CB 3.28Å; D340-F342 VanDerWaalsContact C-N 3.27Å; D340-F342 PolarHBondContact O-N 3.27Å; D340-S343 WeakPolarHBondContact O-CB 3.22Å; D340-S343 PolarHBondContact O-N 2.74Å; D340-S343 PolarHBondContact O-OG 3.01Å; D340-W345 VanDerWaalsContact OD1-CB 3.25Å; D340-W345 WeakPolarHBondContact OD1-CB 3.42Å; D340-A346 WeakPolarHBondContact O-CB 3.38Å; D340-A346 PolarHBondContact O-N 2.58Å
341	L	93.7	Very high	94.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.2	-178.9	179	59.5	0	0	0	113.7	Y86 L89 I101 F338 A346 L348	Y86-L341 HydrophobicContact CD1-CD2 3.86Å; Y86-L341 HydrophobicContact CE1-CD2 3.6Å; L89-L341 HydrophobicContact CD2-CD1 4.03Å; L89-L341 HydrophobicContact CD2-CD2 3.87Å; I101-L341 HydrophobicContact CD1-CD1 3.98Å; I101-L341 HydrophobicContact CD1-CD2 4.13Å; I101-L341 HydrophobicContact CG1-CB 4.49Å; I101-L341 HydrophobicContact CG1-CD2 4.02Å; F338-L341 HydrophobicContact CD1-CD2 4.42Å; L341-A346 WeakPolarHBondContact O-CB 3.27Å; L341-L348 HydrophobicContact CD1-CD1 4.2Å; L341-L348 HydrophobicContact CD1-CD2 3.83Å; L341-L348 HydrophobicContact CD1-CG 4.39Å
342	F	91.9	Very high	94.9	Very high	43 Å²	43	39.7 Å²	39.7	19%	0.189	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	27.3	-179.3	-58.9	-68.3	0	0	0	112.5	Y86 D330 L333 P334 F338 D340	Y86-F342 HydrophobicContact CE1-CE2 4.29Å; Y86-F342 AromaticContact CE1-CZ 3.86Å; Y86-F342 HydrophobicContact CE1-CZ 3.86Å; Y86-F342 WeakPolarHBondContact OH-CZ 3.48Å; D330-F342 HydrophobicContact CB-CD1 3.53Å; D330-F342 HydrophobicContact CB-CE1 3.48Å; D330-F342 VanDerWaalsContact CB-CE1 3.48Å; D330-F342 HydrophobicContact CB-CG 4.13Å; D330-F342 HydrophobicContact CB-CZ 4.04Å; L333-F342 HydrophobicContact CB-CE2 4.11Å; P334-F342 HydrophobicContact CG-CD2 3.96Å; F338-F342 HydrophobicContact CB-CD2 4.47Å; F338-F342 HydrophobicContact CB-CE2 4.2Å; F338-F342 WeakPolarHBondContact O-CD2 3.31Å; D340-F342 VanDerWaalsContact C-N 3.27Å; D340-F342 PolarHBondContact O-N 3.27Å
343	S	91	Very high	94.9	Very high	28 Å²	28	47.1 Å²	47.1	20%	0.196	24%	0.236	C	C	.	.	S	Bend	trans	-124.7	168.3	-179.2	82.1	0	0	0	0	112.1	T339 D340 W345 A346	T339-S343 WeakPolarHBondContact O-CB 3.47Å; D340-S343 WeakPolarHBondContact O-CB 3.22Å; D340-S343 PolarHBondContact O-N 2.74Å; D340-S343 PolarHBondContact O-OG 3.01Å; S343-W345 PolarHBondContact O-N 3.49Å; S343-W345 WeakPolarHBondContact OG-CB 3.45Å; S343-W345 PolarHBondContact OG-N 3.28Å; S343-A346 VanDerWaalsContact O-CB 3.31Å; S343-A346 WeakPolarHBondContact O-CB 3.34Å; S343-A346 PolarHBondContact O-N 3.38Å; S343-A346 VanDerWaalsContact O-N 3.15Å
344	K	90.2	Very high	94.7	Very high	126 Å²	126	52.3 Å²	52.3	55%	0.548	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.4	169.8	67.7	-179.5	179.6	-179.5	0	114	K356	K344-K356 WeakPolarHBondContact O-CE 3.45Å; K344-K356 PolarHBondContact O-NZ 3.42Å
345	W	91.3	Very high	94.4	Very high	172 Å²	172	55.6 Å²	55.6	65%	0.652	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-17.1	179.3	-55.3	115.6	0	0	0	112.8	D340 S343 D347	D340-W345 VanDerWaalsContact OD1-CB 3.25Å; D340-W345 WeakPolarHBondContact OD1-CB 3.42Å; S343-W345 PolarHBondContact O-N 3.49Å; S343-W345 WeakPolarHBondContact OG-CB 3.45Å; S343-W345 PolarHBondContact OG-N 3.28Å; W345-D347 PolarHBondContact O-N 3.33Å
346	A	94	Very high	94	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	27%	0.271	C	S	.	.			trans	-48.3	122.8	179.5	0	0	0	0	0	112.3	D340 L341 S343 L348 K356	D340-A346 WeakPolarHBondContact O-CB 3.38Å; D340-A346 PolarHBondContact O-N 2.58Å; L341-A346 WeakPolarHBondContact O-CB 3.27Å; S343-A346 VanDerWaalsContact O-CB 3.31Å; S343-A346 WeakPolarHBondContact O-CB 3.34Å; S343-A346 PolarHBondContact O-N 3.38Å; S343-A346 VanDerWaalsContact O-N 3.15Å; A346-L348 HydrophobicContact CB-CG 4.45Å; A346-K356 WeakPolarHBondContact O-CE 3.31Å
347	D	95.5	Very high	93.7	Very high	56 Å²	56	53.4 Å²	53.4	30%	0.299	27%	0.266	S	S	.	.			trans	-99.8	88.3	170.9	-172.8	2.3	0	0	0	109.6	A93 C94 S97 W345 S349	A93-D347 CarbonylContact C-O 3.58Å; A93-D347 VanDerWaalsContact CA-O 3.26Å; A93-D347 WeakPolarHBondContact CA-O 3.39Å; C94-D347 HydrophobicContact CB-CB 4.34Å; C94-D347 VanDerWaalsContact CB-OD2 3.23Å; C94-D347 WeakPolarHBondContact CB-OD2 3.39Å; C94-D347 PolarHBondContact N-O 3.28Å; S97-D347 PolarHBondContact OG-N 2.95Å; W345-D347 PolarHBondContact O-N 3.33Å; D347-S349 WeakPolarHBondContact OD1-CB 3.35Å; D347-S349 PolarHBondContact OD1-N 2.76Å; D347-S349 VanDerWaalsContact OD1-N 3.16Å; D347-S349 PolarHBondContact OD1-OG 2.64Å
348	L	96.2	Very high	92.8	Very high	6 Å²	6	57 Å²	57	3%	0.031	27%	0.274	C	S	.	.			trans	-100.9	27.9	173.6	-63.7	176.1	0	0	0	111.7	G92 A93 M207 L341 A346 G350 I351 L357	G92-L348 CarbonylContact O-C 3.49Å; G92-L348 VanDerWaalsContact O-C 3.31Å; G92-L348 WeakPolarHBondContact O-CA 3.47Å; A93-L348 HydrophobicContact CB-CD2 3.9Å; M207-L348 HydrophobicContact CE-CD1 3.96Å; L341-L348 HydrophobicContact CD1-CD1 4.2Å; L341-L348 HydrophobicContact CD1-CD2 3.83Å; L341-L348 HydrophobicContact CD1-CG 4.39Å; A346-L348 HydrophobicContact CB-CG 4.45Å; L348-G350 PolarHBondContact O-N 3.2Å; L348-G350 VanDerWaalsContact O-N 3.15Å; L348-I351 HydrophobicContact CB-CD1 4.14Å; L348-I351 HydrophobicContact CB-CG1 4.43Å; L348-I351 HydrophobicContact CD1-CD1 4.43Å; L348-I351 HydrophobicContact CD2-CD1 4.17Å; L348-I351 HydrophobicContact CG-CD1 4.49Å; L348-I351 WeakPolarHBondContact O-CB 3.33Å; L348-I351 PolarHBondContact O-N 3.19Å; L348-L357 HydrophobicContact CB-CB 4.28Å; L348-L357 HydrophobicContact CB-CD1 4.08Å; L348-L357 HydrophobicContact CD1-CB 3.85Å; L348-L357 HydrophobicContact CD1-CD1 4.38Å
349	S	96.3	Very high	91.9	Very high	45 Å²	45	58.3 Å²	58.3	32%	0.315	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.7	-176.6	61.2	0	0	0	0	114.1	L152 D347 I351 T352	L152-S349 WeakPolarHBondContact CD1-O 3.31Å; D347-S349 WeakPolarHBondContact OD1-CB 3.35Å; D347-S349 PolarHBondContact OD1-N 2.76Å; D347-S349 VanDerWaalsContact OD1-N 3.16Å; D347-S349 PolarHBondContact OD1-OG 2.64Å; S349-I351 VanDerWaalsContact C-N 3.31Å; S349-T352 WeakPolarHBondContact CA-O 3.31Å
350	G	96.8	Very high	91.6	Very high	17 Å²	17	55.2 Å²	55.2	18%	0.175	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.9	170	0	0	0	0	0	113.6	G92 L152 F155 L348	G92-G350 CarbonylContact O-C 3.59Å; G92-G350 WeakPolarHBondContact O-CA 3.16Å; G92-G350 PolarHBondContact O-N 3Å; L152-G350 WeakPolarHBondContact CD1-O 3.3Å; F155-G350 WeakPolarHBondContact CB-O 3.18Å; L348-G350 PolarHBondContact O-N 3.2Å; L348-G350 VanDerWaalsContact O-N 3.15Å
351	I	97.3	Very high	91.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-51.3	174.7	-55.2	-177.4	0	0	0	110.1	L89 G92 L143 L145 F151 L152 F155 M207 L348 S349 L357	L89-I351 HydrophobicContact CD1-CD1 3.76Å; G92-I351 PolarHBondContact O-N 3.49Å; L143-I351 HydrophobicContact CD1-CD1 4.46Å; L145-I351 HydrophobicContact CD2-CG2 4.48Å; F151-I351 CarbonylContact C-O 3.58Å; F151-I351 WeakPolarHBondContact CA-O 3.22Å; F151-I351 HydrophobicContact CD1-CG2 3.79Å; F151-I351 HydrophobicContact CE1-CG2 3.83Å; L152-I351 PolarHBondContact N-O 2.94Å; F155-I351 HydrophobicContact CD1-CG1 4.41Å; F155-I351 HydrophobicContact CD1-CG2 4.2Å; F155-I351 HydrophobicContact CD2-CG1 4.24Å; F155-I351 HydrophobicContact CE1-CG1 4.15Å; F155-I351 HydrophobicContact CE1-CG2 4.08Å; F155-I351 HydrophobicContact CE2-CG1 3.98Å; F155-I351 HydrophobicContact CG-CG1 4.45Å; F155-I351 HydrophobicContact CZ-CD1 4.16Å; F155-I351 HydrophobicContact CZ-CG1 3.92Å; M207-I351 HydrophobicContact CE-CD1 4.36Å; M207-I351 HydrophobicContact SD-CD1 3.81Å; L348-I351 HydrophobicContact CB-CD1 4.14Å; L348-I351 HydrophobicContact CB-CG1 4.43Å; L348-I351 HydrophobicContact CD1-CD1 4.43Å; L348-I351 HydrophobicContact CD2-CD1 4.17Å; L348-I351 HydrophobicContact CG-CD1 4.49Å; L348-I351 WeakPolarHBondContact O-CB 3.33Å; L348-I351 PolarHBondContact O-N 3.19Å; S349-I351 VanDerWaalsContact C-N 3.31Å; I351-L357 HydrophobicContact CB-CD1 4Å; I351-L357 HydrophobicContact CD1-CD1 4.17Å; I351-L357 HydrophobicContact CG2-CD1 4.01Å
352	T	96.9	Very high	91.8	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	27%	0.271	C	S	.	.			trans	-152	146.5	179	-169.9	0	0	0	0	111.1	L149 K150 S349 Q354 L357	L149-T352 HydrophobicContact CD1-CG2 4.47Å; K150-T352 VanDerWaalsContact O-CB 3.25Å; K150-T352 WeakPolarHBondContact O-CB 3.4Å; K150-T352 PolarHBondContact O-OG1 3.25Å; S349-T352 WeakPolarHBondContact CA-O 3.31Å; T352-Q354 PolarHBondContact OG1-N 3.14Å; T352-L357 HydrophobicContact CG2-CD1 3.93Å; T352-L357 HydrophobicContact CG2-CD2 4.26Å; T352-L357 HydrophobicContact CG2-CG 4.07Å
353	K	95.4	Very high	92.1	Very high	170 Å²	170	54.9 Å²	54.9	74%	0.739	26%	0.264	S	S	*	.	S	Bend	trans	-97.3	-5	176.9	-66.6	-176.4	178.6	-177.1	0	113.8	L152	L152-K353 HydrophobicContact CD1-CG 4.15Å; L152-K353 HydrophobicContact CD2-CG 4.28Å
354	Q	93.3	Very high	92.4	Very high	109 Å²	109	53.6 Å²	53.6	51%	0.509	26%	0.255	S	S	.	.	S	Bend	trans	-83.9	-30.6	-168.2	-68.2	173.9	-76.4	0	0	113.5	L149 T352	L149-Q354 HydrophobicContact CD2-CB 3.93Å; T352-Q354 PolarHBondContact OG1-N 3.14Å
355	Q	91.1	Very high	92.5	Very high	106 Å²	106	49.2 Å²	49.2	50%	0.495	24%	0.236	S	C	.	.	S	Bend	trans	-154.2	153.4	-177.3	-165.4	172.5	15.5	0	0	110.3	L149 L206	L149-Q355 HydrophobicContact CD1-CB 4.37Å; L149-Q355 HydrophobicContact CD2-CB 3.66Å; L206-Q355 HydrophobicContact CD1-CG 4.49Å
356	K	88.8	Confident	92.5	Very high	103 Å²	103	41 Å²	41	45%	0.448	21%	0.205	S	C	.	.			trans	-76.1	130.3	172.9	-157.9	164.1	-164.7	175.7	0	110.4	K344 A346 E358	K344-K356 WeakPolarHBondContact O-CE 3.45Å; K344-K356 PolarHBondContact O-NZ 3.42Å; A346-K356 WeakPolarHBondContact O-CE 3.31Å; K356-E358 PolarHBondContact O-N 3.06Å
357	L	89.5	Confident	92.4	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	21%	0.212	C	C	.	.			trans	-92.9	54.2	-173.7	-66.9	175.2	0	0	0	112.7	L145 L149 L206 M207 L348 I351 T352 S360	L145-L357 HydrophobicContact CD1-CD1 4.24Å; L145-L357 HydrophobicContact CD1-CD2 3.79Å; L149-L357 HydrophobicContact CD1-CD2 3.67Å; L206-L357 HydrophobicContact CB-CD2 4.05Å; M207-L357 HydrophobicContact SD-CD1 3.99Å; L348-L357 HydrophobicContact CB-CB 4.28Å; L348-L357 HydrophobicContact CB-CD1 4.08Å; L348-L357 HydrophobicContact CD1-CB 3.85Å; L348-L357 HydrophobicContact CD1-CD1 4.38Å; I351-L357 HydrophobicContact CB-CD1 4Å; I351-L357 HydrophobicContact CD1-CD1 4.17Å; I351-L357 HydrophobicContact CG2-CD1 4.01Å; T352-L357 HydrophobicContact CG2-CD1 3.93Å; T352-L357 HydrophobicContact CG2-CD2 4.26Å; T352-L357 HydrophobicContact CG2-CG 4.07Å; L357-S360 PolarHBondContact O-OG 3.44Å
358	E	77.7	Confident	92.1	Very high	109 Å²	109	39.9 Å²	39.9	51%	0.509	20%	0.199	S	C	.	.			trans	-74.1	-31.9	-175.7	64	-174.6	171.7	0	0	114	K356 S360	K356-E358 PolarHBondContact O-N 3.06Å; E358-S360 PolarHBondContact O-N 3.04Å
359	A	75.7	Confident	91.8	Very high	27 Å²	27	41.2 Å²	41.2	22%	0.223	21%	0.207	C	C	.	.	S	Bend	trans	-92.5	70.8	-178.9	0	0	0	0	0	111.1	D204 V205 L206	D204-A359 VanDerWaalsContact O-CB 3.27Å; D204-A359 WeakPolarHBondContact O-CB 3.18Å; V205-A359 WeakPolarHBondContact CA-O 3.26Å; L206-A359 PolarHBondContact N-O 3.46Å
360	S	87.1	Confident	91.6	Very high	13 Å²	13	39.2 Å²	39.2	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.3	-176.8	-61.8	0	0	0	0	111.4	M207 L357 E358	M207-S360 WeakPolarHBondContact CE-OG 3.07Å; M207-S360 WeakPolarHBondContact O-CA 3.42Å; L357-S360 PolarHBondContact O-OG 3.44Å; E358-S360 PolarHBondContact O-N 3.04Å
361	K	95.6	Very high	91.5	Very high	45 Å²	45	38.9 Å²	38.9	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.2	175.2	-55.6	-68.2	-78	157.6	0	110.5	L201 V205 M207 V208 L209 D330 F363	L201-K361 HydrophobicContact CD2-CB 4.34Å; L201-K361 HydrophobicContact CD2-CG 4.09Å; V205-K361 HydrophobicContact CG1-CG 4.04Å; V205-K361 HydrophobicContact CG2-CD 4.37Å; V205-K361 HydrophobicContact CG2-CG 3.66Å; M207-K361 PolarHBondContact O-N 2.98Å; V208-K361 WeakPolarHBondContact CA-O 3.46Å; V208-K361 HydrophobicContact CG2-CB 4.27Å; L209-K361 PolarHBondContact N-O 2.95Å; D330-K361 WeakPolarHBondContact OD1-CA 3.42Å; D330-K361 IonicContact OD1-NZ 3.09Å; D330-K361 PolarHBondContact OD1-NZ 3.19Å; D330-K361 IonicContact OD2-NZ 2.78Å; D330-K361 PolarHBondContact OD2-NZ 3.15Å; K361-F363 HydrophobicContact CB-CE2 3.67Å; K361-F363 HydrophobicContact CB-CZ 3.97Å
362	S	97.2	Very high	91.3	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.4	175.5	-177	0	0	0	0	112.5	Y86 L209 V328 L329 D330	Y86-S362 WeakPolarHBondContact OH-CB 3.33Å; Y86-S362 PolarHBondContact OH-OG 2.69Å; L209-S362 CarbonylContact O-C 3.31Å; L209-S362 WeakPolarHBondContact O-CA 3.14Å; L209-S362 PolarHBondContact O-OG 3.49Å; V328-S362 CarbonylContact C-O 3.58Å; L329-S362 PolarHBondContact N-O 2.96Å; D330-S362 PolarHBondContact OD1-N 3.15Å
363	F	97.7	Very high	91.1	Very high	10 Å²	10	40 Å²	40	4%	0.044	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136	-175.3	-54.3	-85.2	0	0	0	111.4	L197 V198 L201 V208 L209 V210 N211 Y327 V328 K361	L197-F363 HydrophobicContact CD1-CB 3.98Å; L197-F363 HydrophobicContact CD2-CB 4.24Å; L197-F363 HydrophobicContact CG-CB 4.01Å; V198-F363 HydrophobicContact CG1-CE1 4.47Å; V198-F363 HydrophobicContact CG1-CE2 3.98Å; V198-F363 HydrophobicContact CG1-CZ 3.94Å; V198-F363 HydrophobicContact CG2-CB 4.4Å; V198-F363 HydrophobicContact CG2-CD1 4.48Å; V198-F363 HydrophobicContact CG2-CD2 3.59Å; V198-F363 HydrophobicContact CG2-CE2 3.88Å; V198-F363 HydrophobicContact CG2-CG 3.92Å; V198-F363 HydrophobicContact CG2-CZ 4.43Å; L201-F363 HydrophobicContact CD2-CE2 3.98Å; L201-F363 HydrophobicContact CD2-CZ 4.07Å; V208-F363 HydrophobicContact CG1-CD2 3.73Å; V208-F363 HydrophobicContact CG1-CE2 3.77Å; L209-F363 PolarHBondContact O-N 2.77Å; V210-F363 WeakPolarHBondContact CA-O 3.48Å; V210-F363 HydrophobicContact CG1-CB 4.39Å; V210-F363 HydrophobicContact CG1-CD2 4.43Å; N211-F363 PolarHBondContact N-O 2.8Å; N211-F363 VanDerWaalsContact N-O 3.17Å; N211-F363 PolarHBondContact OD1-O 2.82Å; Y327-F363 WeakPolarHBondContact O-CA 3.35Å; V328-F363 HydrophobicContact CG1-CD1 4.49Å; V328-F363 HydrophobicContact CG1-CE1 4.17Å; V328-F363 HydrophobicContact CG2-CD1 4.11Å; V328-F363 HydrophobicContact CG2-CE1 4.05Å; K361-F363 HydrophobicContact CB-CE2 3.67Å; K361-F363 HydrophobicContact CB-CZ 3.97Å
364	H	96.5	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.1	170.9	171.8	59.9	0	0	0	109.4	S78 S81 I82 N211 S326 Y327 L329	S78-H364 PolarHBondContact N-NE2 3.13Å; S78-H364 VanDerWaalsContact N-NE2 3.17Å; S81-H364 PolarHBondContact OG-CE1 3.27Å; I82-H364 HydrophobicContact CD1-CB 4.44Å; I82-H364 HydrophobicContact CG1-CB 4.22Å; N211-H364 PolarHBondContact ND2-ND1 3.38Å; N211-H364 PolarHBondContact O-ND1 2.92Å; N211-H364 WeakPolarHBondContact OD1-CB 3.41Å; S326-H364 CarbonylContact C-O 3.56Å; S326-H364 WeakPolarHBondContact CA-O 3.45Å; Y327-H364 AromaticContact CD2-CD2 3.89Å; Y327-H364 PolarHBondContact N-O 2.8Å; Y327-H364 PolarHBondContact O-N 2.99Å; L329-H364 HydrophobicContact CD1-CB 3.83Å; L329-H364 HydrophobicContact CD2-CB 4.3Å; L329-H364 HydrophobicContact CG-CB 4.07Å
365	K	93.3	Very high	90	Very high	34 Å²	34	27 Å²	27	15%	0.148	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.9	167.1	-171.1	166.4	178.8	-179.5	0	109.5	I194 V195 D196 L197 G325	I194-K365 VanDerWaalsContact CD1-O 3.23Å; I194-K365 WeakPolarHBondContact CD1-O 3.4Å; I194-K365 HydrophobicContact CG2-CB 4Å; I194-K365 HydrophobicContact CG2-CD 3.95Å; I194-K365 HydrophobicContact CG2-CG 4.07Å; V195-K365 PolarHBondContact O-NZ 2.78Å; D196-K365 PolarHBondContact O-NZ 3.09Å; L197-K365 HydrophobicContact CD1-CB 3.36Å; L197-K365 HydrophobicContact CD1-CD 4.42Å; G325-K365 VanDerWaalsContact O-CA 3.26Å; G325-K365 WeakPolarHBondContact O-CA 3.41Å
366	A	91.9	Very high	88.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.5	172	0	0	0	0	0	109.2	F76 S324 G325 F417	F76-A366 HydrophobicContact CD1-CB 3.75Å; F76-A366 HydrophobicContact CE1-CB 3.96Å; S324-A366 CarbonylContact C-O 3.57Å; S324-A366 WeakPolarHBondContact CA-O 3.47Å; S324-A366 WeakPolarHBondContact CB-O 3.28Å; G325-A366 PolarHBondContact N-O 2.75Å; G325-A366 PolarHBondContact O-N 3.07Å; A366-F417 HydrophobicContact CB-CD1 4.16Å; A366-F417 HydrophobicContact CB-CE1 3.97Å
367	T	90.2	Very high	86.9	Confident	30 Å²	30	23.5 Å²	23.5	18%	0.184	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.4	172.5	55.8	0	0	0	0	108.9	I194 I323	I194-T367 HydrophobicContact CG1-CG2 4.3Å; I323-T367 CarbonylContact O-C 3.6Å; I323-T367 VanDerWaalsContact O-CA 3.31Å; I323-T367 WeakPolarHBondContact O-CA 3.4Å
368	L	89.1	Confident	84.4	Confident	5 Å²	5	25.6 Å²	25.6	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.8	171.6	171.6	67.7	0	0	0	109	F76 S322 I323 V370 T375 V405 I407	F76-L368 HydrophobicContact CD1-CB 4.07Å; F76-L368 HydrophobicContact CE1-CB 3.35Å; F76-L368 HydrophobicContact CE2-CB 3.89Å; F76-L368 HydrophobicContact CE2-CD2 3.65Å; F76-L368 HydrophobicContact CE2-CG 4.39Å; F76-L368 HydrophobicContact CZ-CB 3.27Å; F76-L368 HydrophobicContact CZ-CD2 3.72Å; F76-L368 HydrophobicContact CZ-CG 4Å; S322-L368 WeakPolarHBondContact CA-O 3.21Å; I323-L368 HydrophobicContact CD1-CB 4.49Å; I323-L368 HydrophobicContact CD1-CD2 4.33Å; I323-L368 HydrophobicContact CG1-CB 3.99Å; I323-L368 PolarHBondContact N-O 3.19Å; I323-L368 PolarHBondContact O-N 2.95Å; L368-V370 HydrophobicContact CD1-CG2 4.26Å; L368-V370 HydrophobicContact CD2-CG2 3.94Å; L368-V370 HydrophobicContact CG-CG2 3.9Å; L368-T375 HydrophobicContact CD1-CG2 3.72Å; L368-V405 HydrophobicContact CD2-CG1 4.07Å; L368-I407 HydrophobicContact CD1-CD1 3.67Å; L368-I407 HydrophobicContact CD2-CD1 4.12Å
369	D	90.5	Very high	82	Confident	35 Å²	35	25 Å²	25	19%	0.187	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.1	166.8	-60.2	-45	0	0	0	107.9	K193 S322 T375	K193-D369 IonicContact NZ-OD2 3.76Å; K193-D369 PolarHBondContact NZ-OD2 2.84Å; S322-D369 VanDerWaalsContact CB-OD1 3.23Å; S322-D369 WeakPolarHBondContact CB-OD1 3.39Å; S322-D369 PolarHBondContact OG-OD1 3.04Å; D369-T375 WeakPolarHBondContact O-CA 3.46Å; D369-T375 VanDerWaalsContact O-CB 3.22Å; D369-T375 WeakPolarHBondContact O-CB 3.14Å; D369-T375 WeakPolarHBondContact O-CG2 3.01Å
370	V	93.1	Very high	79.9	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	115.5	171.1	173.9	0	0	0	0	107.6	W219 M246 L318 K320 F321 L368	W219-V370 HydrophobicContact CZ2-CG1 4.24Å; M246-V370 HydrophobicContact CE-CG1 3.89Å; L318-V370 HydrophobicContact CD2-CG1 4.25Å; K320-V370 WeakPolarHBondContact CA-O 3.46Å; K320-V370 WeakPolarHBondContact CG-O 3.4Å; F321-V370 HydrophobicContact CD1-CB 4.15Å; F321-V370 HydrophobicContact CE1-CB 3.82Å; F321-V370 HydrophobicContact CE1-CG1 4.1Å; F321-V370 HydrophobicContact CE1-CG2 3.91Å; F321-V370 HydrophobicContact CE2-CB 4.4Å; F321-V370 HydrophobicContact CE2-CG2 3.99Å; F321-V370 HydrophobicContact CZ-CB 3.98Å; F321-V370 HydrophobicContact CZ-CG2 3.57Å; F321-V370 PolarHBondContact N-O 2.58Å; F321-V370 VanDerWaalsContact N-O 3.08Å; F321-V370 PolarHBondContact O-N 2.67Å; L368-V370 HydrophobicContact CD1-CG2 4.26Å; L368-V370 HydrophobicContact CD2-CG2 3.94Å; L368-V370 HydrophobicContact CG-CG2 3.9Å
371	D	93.1	Very high	77.2	Confident	10 Å²	10	30.7 Å²	30.7	5%	0.053	20%	0.203	C	C	.	.			trans	-135.8	-173	177.8	83.1	-2.7	0	0	0	113	W219 K320 A373 G374 E376 A377	W219-D371 PolarHBondContact NE1-O 2.82Å; K320-D371 HydrophobicContact CD-CB 4.33Å; K320-D371 HydrophobicContact CG-CB 4.35Å; D371-A373 VanDerWaalsContact C-N 3.3Å; D371-A373 PolarHBondContact O-N 2.92Å; D371-A373 PolarHBondContact OD1-N 2.81Å; D371-G374 PolarHBondContact N-O 3.5Å; D371-G374 PolarHBondContact OD1-N 3.39Å; D371-G374 VanDerWaalsContact OD1-O 3.12Å; D371-E376 VanDerWaalsContact OD2-C 3.28Å; D371-A377 VanDerWaalsContact OD2-CA 3.25Å; D371-A377 WeakPolarHBondContact OD2-CA 3.2Å; D371-A377 PolarHBondContact OD2-N 2.76Å
372	E	94.6	Very high	74.1	Confident	21 Å²	21	31.3 Å²	31.3	10%	0.098	21%	0.213	C	C	.	.	S	Bend	trans	-66.2	-30.7	-175.4	-66	91.6	161.6	0	0	113.7	P222 F223 T228 M246 K320	P222-E372 CarbonylContact C-O 3.59Å; P222-E372 WeakPolarHBondContact CA-O 3.42Å; P222-E372 VanDerWaalsContact CB-O 3.3Å; P222-E372 WeakPolarHBondContact CB-O 3.34Å; F223-E372 HydrophobicContact CB-CB 3.92Å; F223-E372 HydrophobicContact CB-CG 3.93Å; F223-E372 PolarHBondContact N-O 2.89Å; T228-E372 VanDerWaalsContact CB-OE1 3.32Å; T228-E372 WeakPolarHBondContact CB-OE1 3.43Å; T228-E372 PolarHBondContact OG1-OE1 2.76Å; M246-E372 HydrophobicContact CG-CG 4.14Å; M246-E372 HydrophobicContact SD-CB 4.34Å; M246-E372 HydrophobicContact SD-CG 3.78Å; M246-E372 PolarHBondContact SD-N 3.46Å; M246-E372 VanDerWaalsContact SD-N 3.42Å; K320-E372 WeakPolarHBondContact CD-OE2 3.36Å; K320-E372 IonicContact NZ-OE1 3.81Å; K320-E372 IonicContact NZ-OE2 2.7Å; K320-E372 PolarHBondContact NZ-OE2 3.43Å
373	A	92	Very high	70.9	Confident	7 Å²	7	39.5 Å²	39.5	6%	0.058	25%	0.249	C	C	.	.	S	Bend	trans	-89.4	-31.4	-177.8	0	0	0	0	0	112.2	L218 W219 D371 A380	L218-A373 CarbonylContact C-O 3.58Å; L218-A373 WeakPolarHBondContact CA-O 3.28Å; L218-A373 HydrophobicContact CD2-CB 4.43Å; W219-A373 VanDerWaalsContact CD1-C 3.47Å; W219-A373 PolarHBondContact N-O 3.19Å; D371-A373 VanDerWaalsContact C-N 3.3Å; D371-A373 PolarHBondContact O-N 2.92Å; D371-A373 PolarHBondContact OD1-N 2.81Å; A373-A380 HydrophobicContact CB-CB 3.85Å
374	G	87.8	Confident	67.7	Low	0 Å²	0	41.6 Å²	41.6	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	160.8	-126.9	-173.7	0	0	0	0	0	112.6	A217 W219 D371	A217-G374 CarbonylContact O-C 3.49Å; A217-G374 VanDerWaalsContact O-CA 3.28Å; A217-G374 WeakPolarHBondContact O-CA 3.3Å; W219-G374 VanDerWaalsContact CD1-CA 3.41Å; W219-G374 VanDerWaalsContact CD1-N 3.27Å; D371-G374 PolarHBondContact N-O 3.5Å; D371-G374 PolarHBondContact OD1-N 3.39Å; D371-G374 VanDerWaalsContact OD1-O 3.12Å
375	T	77.2	Confident	64.7	Low	5 Å²	5	48.6 Å²	48.6	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	-108.2	22.2	170.9	70.2	0	0	0	0	113.4	F215 K216 A217 Y270 L368 D369	F215-T375 HydrophobicContact CD1-CG2 3.98Å; F215-T375 HydrophobicContact CE1-CG2 3.71Å; K216-T375 WeakPolarHBondContact CA-OG1 3.43Å; A217-T375 PolarHBondContact N-OG1 3.17Å; A217-T375 PolarHBondContact O-N 2.61Å; Y270-T375 HydrophobicContact CE1-CG2 3.83Å; Y270-T375 WeakPolarHBondContact OH-CG2 3.32Å; L368-T375 HydrophobicContact CD1-CG2 3.72Å; D369-T375 WeakPolarHBondContact O-CA 3.46Å; D369-T375 VanDerWaalsContact O-CB 3.22Å; D369-T375 WeakPolarHBondContact O-CB 3.14Å; D369-T375 WeakPolarHBondContact O-CG2 3.01Å
376	E	67.3	Low	62	Low	51 Å²	51	53.3 Å²	53.3	24%	0.238	33%	0.325	C	S	.	.	S	Bend	trans	-131.8	126.4	174.6	-175.6	-177.3	-140.5	0	0	110.4	K216 D371 A378	K216-E376 HydrophobicContact CD-CB 4.44Å; K216-E376 HydrophobicContact CD-CG 4.43Å; K216-E376 WeakPolarHBondContact CE-OE1 3.26Å; K216-E376 WeakPolarHBondContact CE-OE2 3.38Å; K216-E376 HydrophobicContact CG-CB 4.23Å; K216-E376 IonicContact NZ-OE1 3.18Å; K216-E376 PolarHBondContact NZ-OE1 2.98Å; K216-E376 IonicContact NZ-OE2 2.68Å; K216-E376 PolarHBondContact NZ-OE2 3.29Å; D371-E376 VanDerWaalsContact OD2-C 3.28Å; E376-A378 HydrophobicContact CG-CB 4.15Å; E376-A378 PolarHBondContact O-N 3.2Å
377	A	48.3	Very low	59.5	Low	85 Å²	85	62.3 Å²	62.3	70%	0.702	36%	0.364	S	S	*	.			trans	-66.6	73.5	167	0	0	0	0	0	111	D371	D371-A377 VanDerWaalsContact OD2-CA 3.25Å; D371-A377 WeakPolarHBondContact OD2-CA 3.2Å; D371-A377 PolarHBondContact OD2-N 2.76Å
378	A	36.6	Very low	57.3	Low	47 Å²	47	71.1 Å²	71.1	39%	0.388	40%	0.4	S	S	.	.			trans	-130.2	129	168.5	0	0	0	0	0	108.2	E376 A380	E376-A378 HydrophobicContact CG-CB 4.15Å; E376-A378 PolarHBondContact O-N 3.2Å; A378-A380 PolarHBondContact O-N 3.01Å
379	A	28.3	Very low	55.5	Low	96 Å²	96	74.3 Å²	74.3	79%	0.793	42%	0.423	S	S	*	.			trans	-60.8	86.3	177.4	0	0	0	0	0	109.9	T381	A379-T381 PolarHBondContact O-N 2.96Å; A379-T381 PolarHBondContact O-OG1 2.82Å
380	A	30	Very low	53.7	Low	56 Å²	56	77.8 Å²	77.8	46%	0.463	46%	0.457	S	S	.	.			trans	-70.5	85.8	158.5	0	0	0	0	0	106	A373 A378 S382	A373-A380 HydrophobicContact CB-CB 3.85Å; A378-A380 PolarHBondContact O-N 3.01Å; A380-S382 PolarHBondContact O-N 2.72Å
381	T	31.7	Very low	52	Low	103 Å²	103	80.1 Å²	80.1	63%	0.632	47%	0.467	S	S	*	.			trans	-67.9	63.1	165.3	-15.8	0	0	0	0	107.8	A379 F383	A379-T381 PolarHBondContact O-N 2.96Å; A379-T381 PolarHBondContact O-OG1 2.82Å; T381-F383 VanDerWaalsContact C-N 3.28Å; T381-F383 HydrophobicContact CG2-CD2 4.08Å; T381-F383 HydrophobicContact CG2-CE2 3.55Å; T381-F383 HydrophobicContact CG2-CZ 4.2Å; T381-F383 PolarHBondContact O-N 3.02Å
382	S	30.4	Very low	50.7	Low	58 Å²	58	86 Å²	86	41%	0.406	50%	0.504	S	S	.	.			trans	-74	92.1	169.3	53.7	0	0	0	0	106.7	A380 A384	A380-S382 PolarHBondContact O-N 2.72Å; S382-A384 PolarHBondContact O-N 2.8Å
383	F	28.6	Very low	49.4	Very low	174 Å²	174	86.5 Å²	86.5	76%	0.763	51%	0.507	S	S	*	.			trans	-65.8	68.2	160.7	-75.1	-86.2	0	0	0	108.7	T381 I385	T381-F383 VanDerWaalsContact C-N 3.28Å; T381-F383 HydrophobicContact CG2-CD2 4.08Å; T381-F383 HydrophobicContact CG2-CE2 3.55Å; T381-F383 HydrophobicContact CG2-CZ 4.2Å; T381-F383 PolarHBondContact O-N 3.02Å; F383-I385 PolarHBondContact O-N 2.99Å; F383-I385 VanDerWaalsContact O-N 3.1Å
384	A	31.8	Very low	48.8	Very low	54 Å²	54	97.5 Å²	97.5	45%	0.446	55%	0.547	S	S	.	.			trans	-79	84.2	160.3	0	0	0	0	0	106.4	S382 K386	S382-A384 PolarHBondContact O-N 2.8Å; A384-K386 PolarHBondContact O-N 2.89Å
385	I	32.1	Very low	49.1	Very low	148 Å²	148	101 Å²	101	76%	0.759	56%	0.563	S	S	*	*			trans	-67.2	83.2	164.1	-57.8	174.5	0	0	0	105.9	F383	F383-I385 PolarHBondContact O-N 2.99Å; F383-I385 VanDerWaalsContact O-N 3.1Å
386	K	38.5	Very low	50	Low	133 Å²	133	104.2 Å²	104.2	58%	0.578	58%	0.58	S	S	*	*			trans	-97.9	125.9	165.8	-74.7	-175.7	-177.9	179.5	0	106.9	E251 A384	E251-K386 IonicContact OE1-NZ 2.83Å; E251-K386 PolarHBondContact OE1-NZ 3.16Å; A384-K386 PolarHBondContact O-N 2.89Å
387	F	38	Very low	51.5	Low	189 Å²	189	102.2 Å²	102.2	83%	0.829	57%	0.571	S	S	*	*			trans	-48.5	146.3	-175.9	-71.1	-92.8	0	0	0	113.1	S389	F387-S389 PolarHBondContact O-N 3.03Å
388	F	44.8	Very low	53.8	Low	214 Å²	214	104 Å²	104	94%	0.939	56%	0.559	S	S	*	*	S	Bend	trans	-45.1	129.4	178.3	-69.3	-86.4	0	0	0	111.7	A390	F388-A390 PolarHBondContact O-N 2.81Å
389	S	51	Low	56.8	Low	73 Å²	73	101.8 Å²	101.8	51%	0.51	54%	0.541	S	S	.	.			trans	-64.7	116.6	-162	67.4	0	0	0	0	113.4	F387	F387-S389 PolarHBondContact O-N 3.03Å
390	A	52.3	Low	60.1	Low	108 Å²	108	98.5 Å²	98.5	89%	0.893	51%	0.51	S	S	*	.			trans	-85	4	158.8	0	0	0	0	0	112.4	F388	F388-A390 PolarHBondContact O-N 2.81Å
391	Q	58	Low	63.4	Low	50 Å²	50	98.7 Å²	98.7	23%	0.234	50%	0.499	C	S	.	.			trans	-95	105.5	-170.5	-174.3	158.7	-58.4	0	0	111.2	Q250 K313 N393	Q250-Q391 PolarHBondContact O-NE2 3.19Å; K313-Q391 HydrophobicContact CD-CG 4.27Å; K313-Q391 VanDerWaalsContact NZ-CD 3.27Å; Q391-N393 WeakPolarHBondContact CG-OD1 3.22Å
392	T	64.9	Low	66.5	Low	134 Å²	134	95 Å²	95	82%	0.822	48%	0.477	S	S	*	.			trans	-87.3	117.1	170.6	44.9	0	0	0	0	110
393	N	67.8	Low	69.8	Low	32 Å²	32	92.3 Å²	92.3	17%	0.171	46%	0.458	C	S	.	.			trans	-91.7	129.2	177	-73.6	1.2	0	0	0	110.2	D249 L314 E315 Q391	D249-N393 PolarHBondContact O-ND2 3.42Å; L314-N393 PolarHBondContact O-ND2 2.84Å; E315-N393 HydrophobicContact CB-CB 4.19Å; E315-N393 PolarHBondContact N-ND2 2.93Å; Q391-N393 WeakPolarHBondContact CG-OD1 3.22Å
394	R	79.5	Confident	73.1	Confident	237 Å²	237	84 Å²	84	89%	0.894	42%	0.421	S	S	*	.	S	Bend	trans	-88.2	-13.1	173.1	-67.9	-173.4	177.9	170.7	-0.6	113.5
395	H	93.6	Very high	76.2	Confident	73 Å²	73	81.4 Å²	81.4	34%	0.338	40%	0.4	S	S	.	.			trans	-115.3	134.3	-177.4	-49.4	129.1	0	0	0	110	Y255 K313 L314 E315	Y255-H395 WeakPolarHBondContact OH-CB 3.33Å; Y255-H395 PolarHBondContact OH-ND1 3.05Å; K313-H395 PolarHBondContact O-ND1 2.96Å; L314-H395 HydrophobicContact CD1-CB 4.18Å; E315-H395 PolarHBondContact N-O 3.4Å
396	I	96.7	Very high	79.4	Confident	74 Å²	74	74.4 Å²	74.4	38%	0.379	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.1	-178.5	-170	170	0	0	0	109.6	E315 R398	E315-I396 HydrophobicContact CB-CB 4.39Å; E315-I396 HydrophobicContact CB-CG1 4.18Å; E315-I396 HydrophobicContact CG-CD1 4.4Å; E315-I396 HydrophobicContact CG-CG1 4.25Å; E315-I396 WeakPolarHBondContact O-CA 3.15Å; E315-I396 VanDerWaalsContact OE1-CD1 3.31Å; E315-I396 WeakPolarHBondContact OE1-CD1 3.34Å; I396-R398 HydrophobicContact CD1-CG 4.15Å; I396-R398 HydrophobicContact CG1-CG 4.09Å
397	L	97.9	Very high	82.2	Confident	9 Å²	9	68 Å²	68	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.9	167.7	-82.5	176.6	0	0	0	108.8	Y255 L280 L314 E315 L316 H317 F399	Y255-L397 HydrophobicContact CD2-CD1 3.91Å; Y255-L397 HydrophobicContact CG-CD1 4.16Å; L280-L397 HydrophobicContact CD2-CD2 4.37Å; L314-L397 HydrophobicContact CD1-CB 4Å; L314-L397 HydrophobicContact CD1-CD1 4.21Å; L314-L397 HydrophobicContact CD1-CG 3.94Å; L314-L397 HydrophobicContact CD2-CB 4.25Å; L314-L397 HydrophobicContact CD2-CD1 3.96Å; L314-L397 HydrophobicContact CD2-CG 4.42Å; E315-L397 PolarHBondContact O-N 2.8Å; L316-L397 HydrophobicContact CD1-CB 4.49Å; H317-L397 PolarHBondContact N-O 2.92Å; L397-F399 HydrophobicContact CB-CE2 4.37Å
398	R	98.4	Very high	84.9	Confident	123 Å²	123	59.3 Å²	59.3	46%	0.464	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.2	176.9	-58.4	-171.8	176.4	172.9	3.3	109.8	L280 H317 I396 N400	L280-R398 VanDerWaalsContact CD2-O 3.31Å; L280-R398 WeakPolarHBondContact CD2-O 3.22Å; H317-R398 HydrophobicContact CB-CB 4.31Å; H317-R398 HydrophobicContact CB-CG 4.05Å; I396-R398 HydrophobicContact CD1-CG 4.15Å; I396-R398 HydrophobicContact CG1-CG 4.09Å; R398-N400 HydrophobicContact CB-CB 4.34Å; R398-N400 PolarHBondContact O-N 2.78Å; R398-N400 PolarHBondContact O-OD1 2.91Å
399	F	98.6	Very high	87.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.			trans	-83	61.5	170.3	-70.4	-93.8	0	0	0	109.5	F233 L266 F278 L280 L316 H317 L318 P319 L397 F403	F233-F399 WeakPolarHBondContact CD2-O 3.21Å; F233-F399 VanDerWaalsContact CE2-O 3.26Å; F233-F399 WeakPolarHBondContact CE2-O 3.23Å; L266-F399 HydrophobicContact CB-CE2 4.17Å; L266-F399 HydrophobicContact CB-CZ 3.78Å; L266-F399 HydrophobicContact CD2-CE2 3.62Å; L266-F399 HydrophobicContact CD2-CZ 3.95Å; F278-F399 HydrophobicContact CB-CD1 4.22Å; F278-F399 HydrophobicContact CB-CE1 3.38Å; F278-F399 HydrophobicContact CB-CZ 3.57Å; F278-F399 HydrophobicContact CG-CE1 4.37Å; L280-F399 HydrophobicContact CB-CD1 4.11Å; L280-F399 HydrophobicContact CB-CE1 3.63Å; L280-F399 HydrophobicContact CB-CZ 4.17Å; L280-F399 HydrophobicContact CD1-CD1 4.15Å; L280-F399 HydrophobicContact CD2-CD1 4.47Å; L280-F399 HydrophobicContact CD2-CE1 4.48Å; L280-F399 HydrophobicContact CG-CD1 4.47Å; L280-F399 HydrophobicContact CG-CE1 4.42Å; L316-F399 HydrophobicContact CD1-CD2 3.94Å; L316-F399 HydrophobicContact CD1-CE2 3.81Å; H317-F399 PolarHBondContact O-N 2.72Å; L318-F399 HydrophobicContact CD1-CB 3.92Å; L318-F399 HydrophobicContact CD1-CD1 4.31Å; L318-F399 HydrophobicContact CD1-CD2 3.72Å; L318-F399 HydrophobicContact CD1-CE2 4.36Å; L318-F399 HydrophobicContact CD1-CG 3.71Å; P319-F399 WeakPolarHBondContact CD-O 3.27Å; L397-F399 HydrophobicContact CB-CE2 4.37Å; F399-F403 HydrophobicContact CB-CD1 4.18Å; F399-F403 HydrophobicContact CB-CE1 4.26Å; F399-F403 HydrophobicContact CD1-CB 3.89Å; F399-F403 HydrophobicContact CD1-CD1 4.06Å; F399-F403 HydrophobicContact CD1-CD2 4.04Å; F399-F403 AromaticContact CD1-CG 3.74Å; F399-F403 HydrophobicContact CD1-CG 3.74Å; F399-F403 HydrophobicContact CE1-CB 4.34Å; F399-F403 HydrophobicContact CE1-CG 4.48Å
400	N	98.3	Very high	89.1	Confident	27 Å²	27	47.4 Å²	47.4	14%	0.144	24%	0.24	C	C	.	.			trans	-111.5	23.3	-176	69.6	-25.6	0	0	0	112.9	F233 Y234 M245 R398	F233-N400 CarbonylContact C-O 3.59Å; F233-N400 WeakPolarHBondContact CA-O 3.39Å; Y234-N400 VanDerWaalsContact CD2-O 3.26Å; Y234-N400 WeakPolarHBondContact CD2-O 3.26Å; Y234-N400 WeakPolarHBondContact CE2-ND2 3.44Å; Y234-N400 PolarHBondContact N-O 2.82Å; M245-N400 HydrophobicContact CE-CB 4.14Å; R398-N400 HydrophobicContact CB-CB 4.34Å; R398-N400 PolarHBondContact O-N 2.78Å; R398-N400 PolarHBondContact O-OD1 2.91Å
401	R	98.1	Very high	90.8	Very high	59 Å²	59	44.6 Å²	44.6	22%	0.223	21%	0.214	C	C	.	.	S	Bend	trans	-154.7	168.9	175.2	68.7	175.8	177	-80	3.1	108.5	F233 Y234 L280 P281 F403	F233-R401 WeakPolarHBondContact CZ-O 3.5Å; Y234-R401 WeakPolarHBondContact O-CA 3.26Å; L280-R401 HydrophobicContact CD1-CG 3.82Å; P281-R401 VanDerWaalsContact O-CZ 3.27Å; P281-R401 PolarHBondContact O-NE 3.2Å; P281-R401 PolarHBondContact O-NH2 2.82Å; R401-F403 WeakPolarHBondContact O-CD1 3.37Å; R401-F403 PolarHBondContact O-N 3.11Å
402	P	98.1	Very high	92.4	Very high	27 Å²	27	42.2 Å²	42.2	18%	0.175	20%	0.203	C	C	.	.			trans	-49.7	134.3	-176	-31.5	34.6	0	0	0	114.6	Y234 V235 M286 V421 V422	Y234-P402 WeakPolarHBondContact O-CD 3.46Å; V235-P402 VanDerWaalsContact O-CG 3.24Å; V235-P402 WeakPolarHBondContact O-CG 3.47Å; M286-P402 VanDerWaalsContact CE-C 3.4Å; M286-P402 HydrophobicContact CE-CB 3.4Å; M286-P402 WeakPolarHBondContact CE-O 3.3Å; P402-V421 WeakPolarHBondContact CA-O 3.45Å; P402-V422 HydrophobicContact CG-CG1 4.16Å
403	F	98.5	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.6	-178.5	63.6	-90.4	0	0	0	111.5	F233 F278 I279 L280 P319 F321 F399 R401 V405 K420 V421	F233-F403 HydrophobicContact CE2-CD1 4.2Å; F233-F403 AromaticContact CE2-CE1 3.89Å; F233-F403 HydrophobicContact CE2-CE1 3.89Å; F233-F403 HydrophobicContact CZ-CD1 4.22Å; F233-F403 HydrophobicContact CZ-CE1 4.16Å; F278-F403 AromaticContact CD1-CD2 3.97Å; F278-F403 HydrophobicContact CD1-CD2 3.97Å; F278-F403 AromaticContact CD1-CE2 3.7Å; F278-F403 HydrophobicContact CD1-CE2 3.7Å; F278-F403 HydrophobicContact CE1-CE2 4.03Å; I279-F403 CarbonylContact O-C 3.58Å; I279-F403 WeakPolarHBondContact O-CA 3.31Å; I279-F403 WeakPolarHBondContact O-CB 3.43Å; L280-F403 HydrophobicContact CD1-CB 4.03Å; P319-F403 HydrophobicContact CG-CE1 3.91Å; P319-F403 HydrophobicContact CG-CZ 4.04Å; F321-F403 HydrophobicContact CE1-CE2 4.36Å; F321-F403 AromaticContact CE1-CZ 3.71Å; F321-F403 HydrophobicContact CE1-CZ 3.71Å; F321-F403 HydrophobicContact CZ-CE2 4.21Å; F321-F403 AromaticContact CZ-CZ 3.9Å; F321-F403 HydrophobicContact CZ-CZ 3.9Å; F399-F403 HydrophobicContact CB-CD1 4.18Å; F399-F403 HydrophobicContact CB-CE1 4.26Å; F399-F403 HydrophobicContact CD1-CB 3.89Å; F399-F403 HydrophobicContact CD1-CD1 4.06Å; F399-F403 HydrophobicContact CD1-CD2 4.04Å; F399-F403 AromaticContact CD1-CG 3.74Å; F399-F403 HydrophobicContact CD1-CG 3.74Å; F399-F403 HydrophobicContact CE1-CB 4.34Å; F399-F403 HydrophobicContact CE1-CG 4.48Å; R401-F403 WeakPolarHBondContact O-CD1 3.37Å; R401-F403 PolarHBondContact O-N 3.11Å; F403-V405 HydrophobicContact CD2-CG2 3.85Å; F403-V405 HydrophobicContact CE2-CG2 3.54Å; F403-K420 WeakPolarHBondContact O-CA 3.42Å; F403-V421 HydrophobicContact CD1-CB 4.21Å; F403-V421 HydrophobicContact CD2-CB 4.35Å; F403-V421 HydrophobicContact CD2-CG2 4.41Å; F403-V421 HydrophobicContact CE1-CB 3.77Å; F403-V421 HydrophobicContact CE1-CG1 3.84Å; F403-V421 HydrophobicContact CE1-CG2 4.36Å; F403-V421 HydrophobicContact CE2-CB 3.92Å; F403-V421 HydrophobicContact CE2-CG2 3.72Å; F403-V421 HydrophobicContact CG-CB 4.48Å; F403-V421 HydrophobicContact CZ-CB 3.61Å; F403-V421 HydrophobicContact CZ-CG1 3.86Å; F403-V421 HydrophobicContact CZ-CG2 3.69Å; F403-V421 PolarHBondContact N-O 2.84Å; F403-V421 VanDerWaalsContact N-O 3.09Å; F403-V421 PolarHBondContact O-N 3.41Å
404	L	98.4	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	151.9	176.6	-48.2	176.8	0	0	0	110.9	Y63 F278 I279 M286 I289 L293 G419 K420	Y63-L404 WeakPolarHBondContact OH-CD2 3.45Å; F278-L404 WeakPolarHBondContact CA-O 3.44Å; I279-L404 HydrophobicContact CB-CB 4.09Å; I279-L404 HydrophobicContact CD1-CB 4.12Å; I279-L404 PolarHBondContact N-O 3.08Å; I279-L404 PolarHBondContact O-N 2.88Å; M286-L404 HydrophobicContact CE-CD2 4.31Å; M286-L404 HydrophobicContact SD-CD2 3.7Å; M286-L404 HydrophobicContact SD-CG 4.15Å; I289-L404 HydrophobicContact CG2-CD1 4.04Å; L293-L404 HydrophobicContact CD1-CD1 4.35Å; L293-L404 HydrophobicContact CD2-CD1 3.87Å; L404-G419 WeakPolarHBondContact CA-O 3.46Å; L404-K420 HydrophobicContact CD2-CB 3.69Å; L404-K420 HydrophobicContact CD2-CD 3.98Å; L404-K420 HydrophobicContact CD2-CG 3.77Å
405	V	97.8	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.9	178.7	-176	0	0	0	0	108.9	V276 F277 F278 L368 F403 I407 L418 G419 V421	V276-V405 HydrophobicContact CG1-CG1 3.75Å; F277-V405 WeakPolarHBondContact O-CA 3.27Å; F278-V405 HydrophobicContact CD1-CG2 3.89Å; F278-V405 HydrophobicContact CE1-CG1 4.27Å; F278-V405 HydrophobicContact CE1-CG2 3.93Å; L368-V405 HydrophobicContact CD2-CG1 4.07Å; F403-V405 HydrophobicContact CD2-CG2 3.85Å; F403-V405 HydrophobicContact CE2-CG2 3.54Å; V405-I407 HydrophobicContact CG1-CG1 4.23Å; V405-L418 WeakPolarHBondContact O-CA 3.47Å; V405-G419 PolarHBondContact N-O 3.21Å; V405-G419 PolarHBondContact O-N 2.85Å; V405-V421 HydrophobicContact CG2-CG2 4.05Å
406	V	98.1	Very high	95.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	112.9	171	-168.1	0	0	0	0	108.5	V276 F277 I279 L298 V415 F417 L418	V276-V406 CarbonylContact C-O 3.59Å; V276-V406 WeakPolarHBondContact CA-O 3.35Å; F277-V406 HydrophobicContact CB-CB 4.27Å; F277-V406 PolarHBondContact N-O 2.9Å; F277-V406 PolarHBondContact O-N 2.87Å; I279-V406 HydrophobicContact CD1-CG2 3.76Å; L298-V406 HydrophobicContact CD1-CB 4.41Å; L298-V406 HydrophobicContact CD1-CG1 4.14Å; L298-V406 HydrophobicContact CD2-CG1 3.97Å; V406-V415 HydrophobicContact CG1-CG1 3.82Å; V406-V415 HydrophobicContact CG1-CG2 4.45Å; V406-F417 WeakPolarHBondContact CA-O 3.25Å; V406-L418 HydrophobicContact CG2-CD1 3.7Å
407	I	96.8	Very high	95.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.4	171.7	-53.3	-173.9	0	0	0	107.7	F215 Y270 T275 V276 L368 V405 L416 F417	F215-I407 HydrophobicContact CE1-CD1 4.2Å; F215-I407 HydrophobicContact CE1-CG2 4.35Å; F215-I407 HydrophobicContact CE2-CG2 4.16Å; F215-I407 HydrophobicContact CZ-CG2 3.82Å; Y270-I407 HydrophobicContact CE2-CG2 4.35Å; T275-I407 WeakPolarHBondContact O-CA 3.46Å; V276-I407 HydrophobicContact CG1-CG1 4.23Å; V276-I407 HydrophobicContact CG2-CD1 4.49Å; V276-I407 HydrophobicContact CG2-CG1 4.01Å; V276-I407 HydrophobicContact CG2-CG2 4.48Å; L368-I407 HydrophobicContact CD1-CD1 3.67Å; L368-I407 HydrophobicContact CD2-CD1 4.12Å; V405-I407 HydrophobicContact CG1-CG1 4.23Å; I407-L416 HydrophobicContact CB-CB 4.44Å; I407-L416 HydrophobicContact CG2-CB 4.2Å; I407-L416 HydrophobicContact CG2-CD1 4.21Å; I407-L416 PolarHBondContact O-N 2.79Å; I407-F417 HydrophobicContact CB-CB 3.99Å; I407-F417 HydrophobicContact CB-CD2 4Å; I407-F417 HydrophobicContact CB-CG 4.5Å; I407-F417 HydrophobicContact CD1-CB 4.16Å; I407-F417 HydrophobicContact CD1-CD2 3.85Å; I407-F417 HydrophobicContact CD1-CG 4.26Å; I407-F417 HydrophobicContact CG1-CB 4.08Å; I407-F417 HydrophobicContact CG1-CD2 4.35Å; I407-F417 HydrophobicContact CG2-CD2 4.28Å; I407-F417 PolarHBondContact N-O 3.37Å; I407-F417 PolarHBondContact O-N 2.96Å
408	F	95.9	Very high	95.8	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.022	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.8	-169.5	-172.6	-99.6	0	0	0	110.6	A274 T275 F277 L298 T410 Q413 S414 V415	A274-F408 WeakPolarHBondContact CA-O 3.38Å; T275-F408 PolarHBondContact N-O 2.83Å; T275-F408 PolarHBondContact O-N 2.83Å; F277-F408 HydrophobicContact CD2-CB 4.36Å; F277-F408 HydrophobicContact CE2-CB 4.06Å; F277-F408 HydrophobicContact CE2-CG 4.42Å; L298-F408 HydrophobicContact CD2-CD2 4.02Å; L298-F408 HydrophobicContact CD2-CE2 4.26Å; F408-T410 HydrophobicContact CD1-CG2 4.28Å; F408-Q413 VanDerWaalsContact CE2-C 3.49Å; F408-Q413 WeakPolarHBondContact CE2-O 3.37Å; F408-Q413 VanDerWaalsContact CZ-C 3.43Å; F408-Q413 HydrophobicContact CZ-CB 3.96Å; F408-S414 WeakPolarHBondContact CA-O 3.29Å; F408-S414 WeakPolarHBondContact CD2-O 2.87Å; F408-V415 HydrophobicContact CD2-CG2 4.24Å
409	S	93.8	Very high	95.8	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.021	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.4	170.8	172.2	0	0	0	0	109.3	D273 S411 T412 Q413 S414	D273-S409 CarbonylContact O-C 3.45Å; D273-S409 WeakPolarHBondContact O-CA 3.4Å; S409-S411 PolarHBondContact OG-OG 2.89Å; S409-T412 WeakPolarHBondContact CB-OG1 3.31Å; S409-T412 PolarHBondContact OG-N 2.86Å; S409-T412 PolarHBondContact OG-OG1 3.11Å; S409-Q413 VanDerWaalsContact O-CA 3.25Å; S409-Q413 WeakPolarHBondContact O-CA 3.48Å; S409-Q413 PolarHBondContact O-N 3.07Å; S409-S414 PolarHBondContact N-O 2.7Å; S409-S414 PolarHBondContact O-N 2.66Å
410	T	89.3	Confident	95.7	Very high	34 Å²	34	12.9 Å²	12.9	21%	0.209	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-28.6	-177.5	59.1	0	0	0	0	113	D273 T275 F408 Q413	D273-T410 WeakPolarHBondContact CA-OG1 3.47Å; D273-T410 PolarHBondContact O-N 3.21Å; D273-T410 PolarHBondContact O-OG1 2.79Å; D273-T410 VanDerWaalsContact O-OG1 3.13Å; T275-T410 WeakPolarHBondContact OG1-CG2 3.36Å; F408-T410 HydrophobicContact CD1-CG2 4.28Å; T410-Q413 PolarHBondContact O-NE2 3.39Å
411	S	88.9	Confident	95.7	Very high	49 Å²	49	11.6 Å²	11.6	34%	0.343	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-39.3	177.3	53.4	0	0	0	0	112.4	S409	S409-S411 PolarHBondContact OG-OG 2.89Å
412	T	90.3	Very high	95.7	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-4.5	-177.3	61.3	0	0	0	0	114.2	L124 T127 L128 S409 S414	L124-T412 HydrophobicContact CD1-CG2 4.32Å; L124-T412 HydrophobicContact CG-CG2 4.13Å; T127-T412 HydrophobicContact CG2-CG2 3.71Å; L128-T412 HydrophobicContact CD2-CG2 4.36Å; L128-T412 HydrophobicContact CG-CG2 4.33Å; S409-T412 WeakPolarHBondContact CB-OG1 3.31Å; S409-T412 PolarHBondContact OG-N 2.86Å; S409-T412 PolarHBondContact OG-OG1 3.11Å; T412-S414 PolarHBondContact O-N 2.72Å; T412-S414 PolarHBondContact OG1-OG 3.27Å
413	Q	92.6	Very high	95.6	Very high	50 Å²	50	8.6 Å²	8.6	23%	0.234	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	34.8	-173.1	-61.5	-66.6	-64.3	0	0	113.3	L49 A52 F408 S409 T410	L49-Q413 HydrophobicContact CD1-CG 4.46Å; A52-Q413 HydrophobicContact CB-CB 4.42Å; F408-Q413 VanDerWaalsContact CE2-C 3.49Å; F408-Q413 WeakPolarHBondContact CE2-O 3.37Å; F408-Q413 VanDerWaalsContact CZ-C 3.43Å; F408-Q413 HydrophobicContact CZ-CB 3.96Å; S409-Q413 VanDerWaalsContact O-CA 3.25Å; S409-Q413 WeakPolarHBondContact O-CA 3.48Å; S409-Q413 PolarHBondContact O-N 3.07Å; T410-Q413 PolarHBondContact O-NE2 3.39Å
414	S	93.1	Very high	95.6	Very high	3 Å²	3	9 Å²	9	2%	0.021	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.2	-174.6	66.8	0	0	0	0	112.8	F408 S409 T412 L416	F408-S414 WeakPolarHBondContact CA-O 3.29Å; F408-S414 WeakPolarHBondContact CD2-O 2.87Å; S409-S414 PolarHBondContact N-O 2.7Å; S409-S414 PolarHBondContact O-N 2.66Å; T412-S414 PolarHBondContact O-N 2.72Å; T412-S414 PolarHBondContact OG1-OG 3.27Å; S414-L416 PolarHBondContact O-N 3.3Å
415	V	96.7	Very high	95.4	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.03	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	101.8	171.6	-176.1	0	0	0	0	108.7	A59 P79 L298 V406 F408 F417 L418	A59-V415 HydrophobicContact CB-CB 4.38Å; A59-V415 HydrophobicContact CB-CG1 4.47Å; P79-V415 HydrophobicContact CG-CB 4.37Å; P79-V415 HydrophobicContact CG-CG1 3.95Å; L298-V415 HydrophobicContact CD2-CG2 3.93Å; V406-V415 HydrophobicContact CG1-CG1 3.82Å; V406-V415 HydrophobicContact CG1-CG2 4.45Å; F408-V415 HydrophobicContact CD2-CG2 4.24Å; V415-F417 WeakPolarHBondContact CG1-O 3.47Å; V415-L418 HydrophobicContact CG1-CB 4.05Å
416	L	95.7	Very high	95	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-44.8	178.9	-61.8	-177.5	0	0	0	111.1	S78 L80 L128 T137 F215 I407 S414	S78-L416 VanDerWaalsContact CA-O 3.3Å; S78-L416 WeakPolarHBondContact CA-O 3.46Å; S78-L416 VanDerWaalsContact CB-O 3.24Å; S78-L416 WeakPolarHBondContact CB-O 3.46Å; S78-L416 PolarHBondContact OG-O 2.76Å; L80-L416 HydrophobicContact CD2-CD2 3.69Å; L128-L416 HydrophobicContact CD1-CD2 4.14Å; L128-L416 HydrophobicContact CD2-CD2 4.03Å; T137-L416 HydrophobicContact CG2-CD1 4.04Å; F215-L416 HydrophobicContact CD2-CD1 4.32Å; F215-L416 HydrophobicContact CE2-CD1 3.86Å; I407-L416 HydrophobicContact CB-CB 4.44Å; I407-L416 HydrophobicContact CG2-CB 4.2Å; I407-L416 HydrophobicContact CG2-CD1 4.21Å; I407-L416 PolarHBondContact O-N 2.79Å; S414-L416 PolarHBondContact O-N 3.3Å
417	F	97.1	Very high	93.6	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.6	176.5	-60.8	-93.9	0	0	0	111.3	F76 F77 I213 F215 A366 V406 I407 V415	F76-F417 HydrophobicContact CD1-CD1 4.36Å; F76-F417 HydrophobicContact CE1-CB 4.31Å; F76-F417 AromaticContact CE1-CD1 3.33Å; F76-F417 HydrophobicContact CE1-CD1 3.33Å; F76-F417 AromaticContact CE1-CE1 3.81Å; F76-F417 HydrophobicContact CE1-CE1 3.81Å; F76-F417 HydrophobicContact CE1-CG 4.05Å; F76-F417 HydrophobicContact CE2-CB 3.83Å; F76-F417 HydrophobicContact CE2-CD1 4.39Å; F76-F417 HydrophobicContact CE2-CG 4.4Å; F76-F417 HydrophobicContact CZ-CB 3.45Å; F76-F417 VanDerWaalsContact CZ-CB 3.45Å; F76-F417 AromaticContact CZ-CD1 3.34Å; F76-F417 HydrophobicContact CZ-CD1 3.34Å; F76-F417 HydrophobicContact CZ-CE1 4.14Å; F76-F417 AromaticContact CZ-CG 3.54Å; F76-F417 HydrophobicContact CZ-CG 3.54Å; F77-F417 WeakPolarHBondContact O-CA 3.36Å; I213-F417 HydrophobicContact CB-CZ 4.14Å; I213-F417 HydrophobicContact CD1-CE1 4.49Å; I213-F417 HydrophobicContact CD1-CE2 3.71Å; I213-F417 HydrophobicContact CD1-CZ 3.7Å; I213-F417 HydrophobicContact CG1-CE2 4.26Å; I213-F417 HydrophobicContact CG1-CZ 3.82Å; I213-F417 HydrophobicContact CG2-CD1 4.29Å; I213-F417 HydrophobicContact CG2-CE1 3.25Å; I213-F417 HydrophobicContact CG2-CE2 4.32Å; I213-F417 HydrophobicContact CG2-CZ 3.27Å; F215-F417 HydrophobicContact CB-CE2 3.49Å; F215-F417 VanDerWaalsContact CB-CE2 3.49Å; F215-F417 HydrophobicContact CB-CZ 3.61Å; F215-F417 HydrophobicContact CD1-CE2 4.25Å; F215-F417 AromaticContact CD2-CE2 3.86Å; F215-F417 HydrophobicContact CD2-CE2 3.86Å; F215-F417 AromaticContact CG-CE2 3.61Å; F215-F417 HydrophobicContact CG-CE2 3.61Å; F215-F417 HydrophobicContact CG-CZ 4.24Å; A366-F417 HydrophobicContact CB-CD1 4.16Å; A366-F417 HydrophobicContact CB-CE1 3.97Å; V406-F417 WeakPolarHBondContact CA-O 3.25Å; I407-F417 HydrophobicContact CB-CB 3.99Å; I407-F417 HydrophobicContact CB-CD2 4Å; I407-F417 HydrophobicContact CB-CG 4.5Å; I407-F417 HydrophobicContact CD1-CB 4.16Å; I407-F417 HydrophobicContact CD1-CD2 3.85Å; I407-F417 HydrophobicContact CD1-CG 4.26Å; I407-F417 HydrophobicContact CG1-CB 4.08Å; I407-F417 HydrophobicContact CG1-CD2 4.35Å; I407-F417 HydrophobicContact CG2-CD2 4.28Å; I407-F417 PolarHBondContact N-O 3.37Å; I407-F417 PolarHBondContact O-N 2.96Å; V415-F417 WeakPolarHBondContact CG1-O 3.47Å
418	L	98.1	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.9	175.7	177.4	57.4	0	0	0	109.1	A59 F60 Y63 F77 P79 L293 V405 V406 V415	A59-L418 HydrophobicContact CB-CD2 4.14Å; A59-L418 WeakPolarHBondContact O-CD2 3.22Å; F60-L418 HydrophobicContact CD1-CD2 3.88Å; F60-L418 HydrophobicContact CE1-CD1 4.3Å; F60-L418 HydrophobicContact CE1-CD2 4Å; Y63-L418 HydrophobicContact CD2-CD1 4.23Å; Y63-L418 HydrophobicContact CD2-CD2 4.07Å; Y63-L418 HydrophobicContact CD2-CG 3.73Å; Y63-L418 HydrophobicContact CG-CD2 3.97Å; Y63-L418 HydrophobicContact CG-CG 4.15Å; F77-L418 WeakPolarHBondContact CD1-O 3.45Å; F77-L418 HydrophobicContact CE1-CB 4.27Å; F77-L418 HydrophobicContact CE1-CG 4.32Å; F77-L418 HydrophobicContact CZ-CB 4.16Å; F77-L418 HydrophobicContact CZ-CD2 4.08Å; F77-L418 HydrophobicContact CZ-CG 4.28Å; F77-L418 PolarHBondContact N-O 3.22Å; F77-L418 VanDerWaalsContact N-O 3.11Å; F77-L418 PolarHBondContact O-N 2.7Å; P79-L418 HydrophobicContact CG-CB 4.07Å; L293-L418 HydrophobicContact CD2-CD1 4.47Å; V405-L418 WeakPolarHBondContact O-CA 3.47Å; V406-L418 HydrophobicContact CG2-CD1 3.7Å; V415-L418 HydrophobicContact CG1-CB 4.05Å
419	G	97.1	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	179.2	-178.4	0	0	0	0	0	115.9	I75 L404 V405	I75-G419 CarbonylContact O-C 3.56Å; I75-G419 WeakPolarHBondContact O-CA 3.49Å; L404-G419 WeakPolarHBondContact CA-O 3.46Å; V405-G419 PolarHBondContact N-O 3.21Å; V405-G419 PolarHBondContact O-N 2.85Å
420	K	97.7	Very high	93.3	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.8	179.4	177.8	169.8	59.2	-167.4	0	109	Y63 N74 I75 M286 E290 F403 L404 V422	Y63-K420 HydrophobicContact CE2-CB 4.27Å; Y63-K420 WeakPolarHBondContact OH-CB 3.01Å; N74-K420 WeakPolarHBondContact CA-O 3.35Å; I75-K420 HydrophobicContact CB-CB 4.18Å; I75-K420 PolarHBondContact N-O 2.9Å; I75-K420 PolarHBondContact O-N 2.67Å; M286-K420 HydrophobicContact CE-CD 3.95Å; M286-K420 HydrophobicContact CE-CG 4.14Å; M286-K420 HydrophobicContact CG-CD 4.23Å; M286-K420 HydrophobicContact SD-CD 3.86Å; M286-K420 HydrophobicContact SD-CG 4.5Å; E290-K420 WeakPolarHBondContact OE1-CD 3.37Å; E290-K420 WeakPolarHBondContact OE1-CE 3.37Å; E290-K420 IonicContact OE1-NZ 2.75Å; E290-K420 PolarHBondContact OE1-NZ 2.98Å; E290-K420 IonicContact OE2-NZ 3.52Å; F403-K420 WeakPolarHBondContact O-CA 3.42Å; L404-K420 HydrophobicContact CD2-CB 3.69Å; L404-K420 HydrophobicContact CD2-CD 3.98Å; L404-K420 HydrophobicContact CD2-CG 3.77Å; K420-V422 HydrophobicContact CD-CG2 3.94Å; K420-V422 HydrophobicContact CG-CG2 3.8Å
421	V	97.9	Very high	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.4	172.8	-176	0	0	0	0	107.4	F321 I323 P402 F403 V405 P424	F321-V421 HydrophobicContact CE2-CG2 3.78Å; F321-V421 HydrophobicContact CZ-CG2 3.86Å; I323-V421 HydrophobicContact CD1-CG2 3.83Å; I323-V421 HydrophobicContact CG2-CG2 4.31Å; P402-V421 WeakPolarHBondContact CA-O 3.45Å; F403-V421 HydrophobicContact CD1-CB 4.21Å; F403-V421 HydrophobicContact CD2-CB 4.35Å; F403-V421 HydrophobicContact CD2-CG2 4.41Å; F403-V421 HydrophobicContact CE1-CB 3.77Å; F403-V421 HydrophobicContact CE1-CG1 3.84Å; F403-V421 HydrophobicContact CE1-CG2 4.36Å; F403-V421 HydrophobicContact CE2-CB 3.92Å; F403-V421 HydrophobicContact CE2-CG2 3.72Å; F403-V421 HydrophobicContact CG-CB 4.48Å; F403-V421 HydrophobicContact CZ-CB 3.61Å; F403-V421 HydrophobicContact CZ-CG1 3.86Å; F403-V421 HydrophobicContact CZ-CG2 3.69Å; F403-V421 PolarHBondContact N-O 2.84Å; F403-V421 VanDerWaalsContact N-O 3.09Å; F403-V421 PolarHBondContact O-N 3.41Å; V405-V421 HydrophobicContact CG2-CG2 4.05Å; V421-P424 HydrophobicContact CG1-CB 4.08Å; V421-P424 HydrophobicContact CG1-CG 3.77Å
422	V	97.6	Very high	93.8	Very high	13 Å²	13	24.9 Å²	24.9	8%	0.079	14%	0.136	C	C	.	.	S	Bend	trans	-93	-40.9	172.8	-176.7	0	0	0	0	110.3	K73 N74 F233 V235 P402 K420	K73-V422 VanDerWaalsContact O-CG2 3.27Å; K73-V422 WeakPolarHBondContact O-CG2 3.47Å; N74-V422 WeakPolarHBondContact OD1-CA 3.31Å; N74-V422 PolarHBondContact OD1-N 3.4Å; F233-V422 VanDerWaalsContact CE1-O 3.26Å; F233-V422 WeakPolarHBondContact CE1-O 3.38Å; V235-V422 HydrophobicContact CG1-CG1 3.93Å; P402-V422 HydrophobicContact CG-CG1 4.16Å; K420-V422 HydrophobicContact CD-CG2 3.94Å; K420-V422 HydrophobicContact CG-CG2 3.8Å
423	D	97	Very high	94	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.048	15%	0.145	C	C	.	.			trans	-137.5	104.9	-179.7	-177.1	-12.3	0	0	0	109.7	N74 V235 T425 K426	N74-D423 PolarHBondContact ND2-O 3.3Å; N74-D423 PolarHBondContact OD1-N 3.4Å; V235-D423 HydrophobicContact CG1-CB 4.27Å; V235-D423 HydrophobicContact CG2-CB 4.17Å; D423-T425 PolarHBondContact O-N 3.12Å; D423-T425 WeakPolarHBondContact OD1-CB 3.3Å; D423-T425 PolarHBondContact OD1-N 2.95Å; D423-T425 PolarHBondContact OD1-OG1 3.22Å; D423-K426 HydrophobicContact CB-CD 4.19Å; D423-K426 HydrophobicContact CB-CG 4.41Å; D423-K426 PolarHBondContact O-N 3.37Å; D423-K426 WeakPolarHBondContact OD2-CD 3.39Å; D423-K426 WeakPolarHBondContact OD2-CE 3.37Å; D423-K426 IonicContact OD2-NZ 2.72Å; D423-K426 PolarHBondContact OD2-NZ 3.23Å
424	P	96.7	Very high	94.1	Very high	8 Å²	8	24.8 Å²	24.8	5%	0.052	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.7	-177	-11.7	24.7	0	0	0	114.3	F233 V243 P319 F321 V421	F233-P424 HydrophobicContact CD1-CG 4.07Å; F233-P424 HydrophobicContact CD2-CG 3.55Å; F233-P424 HydrophobicContact CE1-CG 4.01Å; F233-P424 HydrophobicContact CE2-CG 3.46Å; F233-P424 VanDerWaalsContact CE2-CG 3.46Å; F233-P424 HydrophobicContact CG-CG 3.85Å; F233-P424 HydrophobicContact CZ-CG 3.69Å; V243-P424 HydrophobicContact CG1-CB 4.01Å; V243-P424 HydrophobicContact CG1-CG 4.09Å; P319-P424 HydrophobicContact CB-CB 4.47Å; P319-P424 HydrophobicContact CB-CG 4.5Å; P319-P424 HydrophobicContact CG-CG 4.46Å; F321-P424 HydrophobicContact CB-CB 3.65Å; F321-P424 WeakPolarHBondContact CB-O 3.32Å; F321-P424 HydrophobicContact CD1-CB 4.45Å; F321-P424 HydrophobicContact CG-CB 4.1Å; V421-P424 HydrophobicContact CG1-CB 4.08Å; V421-P424 HydrophobicContact CG1-CG 3.77Å
425	T	94.7	Very high	94.2	Very high	69 Å²	69	26.5 Å²	26.5	42%	0.423	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-8.6	177.5	67.9	0	0	0	0	113.2	V241 V243 D423 P427	V241-T425 HydrophobicContact CB-CG2 4.06Å; V241-T425 HydrophobicContact CG2-CG2 3.91Å; V243-T425 HydrophobicContact CG1-CG2 3.65Å; D423-T425 PolarHBondContact O-N 3.12Å; D423-T425 WeakPolarHBondContact OD1-CB 3.3Å; D423-T425 PolarHBondContact OD1-N 2.95Å; D423-T425 PolarHBondContact OD1-OG1 3.22Å; T425-P427 WeakPolarHBondContact O-CD 3.43Å
426	K	89.3	Confident	94	Very high	120 Å²	120	28.3 Å²	28.3	52%	0.522	16%	0.157	S	C	.	.			trans	-99.7	108.5	-179.7	-72.2	179.7	-178.8	134.4	0	110.5	N74 D423	N74-K426 PolarHBondContact ND2-O 3.39Å; D423-K426 HydrophobicContact CB-CD 4.19Å; D423-K426 HydrophobicContact CB-CG 4.41Å; D423-K426 PolarHBondContact O-N 3.37Å; D423-K426 WeakPolarHBondContact OD2-CD 3.39Å; D423-K426 WeakPolarHBondContact OD2-CE 3.37Å; D423-K426 IonicContact OD2-NZ 2.72Å; D423-K426 PolarHBondContact OD2-NZ 3.23Å
427	P	68.8	Low	93.8	Very high	112 Å²	112	30.7 Å²	30.7	73%	0.727	17%	0.171	S	C	*	.			trans	-68.1	0	178.7	29.1	-33.7	0	0	0	112.6	S324 T425	S324-P427 WeakPolarHBondContact CA-OXT 3.29Å; S324-P427 WeakPolarHBondContact CB-OXT 3.46Å; S324-P427 PolarHBondContact N-OXT 2.82Å; S324-P427 PolarHBondContact OG-OXT 3.1Å; T425-P427 WeakPolarHBondContact O-CD 3.43Å

Retrieved 427 of 427 residues in 1150.4 ms (Link to these results)

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