A0A087XXJ7_POEFO Loading...

Probable proline--tRNA ligase, mitochondrial

Mitochondrial aminoacyl-tRNA synthetase that catalyzes the specific attachment of the proline amino acid (aa) to the homologous transfer RNA (tRNA), further participating in protein synthesis. The reaction occurs in a two steps: proline is first activated by ATP to form Pro-AMP and then transferred to the acceptor end of tRNA(Pro).

AlphaFold DB , UniProt , Accession A0A087XXJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 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	30.8	Very low	32.7	Very low	248 Å²	248	147.6 Å²	147.6	100%	1.222	71%	0.714	S	S	*	*				0	101.4	0	-84	-173.2	-81.2	0	0	107.1
2	M	31.9	Very low	32.3	Very low	139 Å²	139	155.3 Å²	155.3	69%	0.685	73%	0.73	S	S	*	*			trans	-91.6	144.1	174.3	-85.2	174.8	77.5	0	0	110.2	V6	M2-V6 HydrophobicContact CE-CB 4.33Å; M2-V6 HydrophobicContact CE-CG1 3.99Å; M2-V6 HydrophobicContact CE-CG2 4.17Å
3	E	31.1	Very low	32.1	Very low	153 Å²	153	148.8 Å²	148.8	72%	0.715	73%	0.73	S	S	*	*			trans	-62.2	152.7	-175.7	-105.1	-179.8	142.5	0	0	114.6	A5 V6	E3-A5 PolarHBondContact O-N 2.76Å; E3-A5 VanDerWaalsContact O-N 3.17Å; E3-V6 PolarHBondContact O-N 3.09Å
4	P	30.7	Very low	31.9	Very low	102 Å²	102	149.6 Å²	149.6	66%	0.662	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-20.7	-177.6	-18.1	31	0	0	0	114.7	V6 R7	P4-V6 VanDerWaalsContact C-N 3.28Å; P4-V6 PolarHBondContact O-N 2.88Å; P4-R7 PolarHBondContact O-N 3Å; P4-R7 VanDerWaalsContact O-N 3.16Å
5	A	30.1	Very low	31.7	Very low	61 Å²	61	151.1 Å²	151.1	50%	0.504	73%	0.733	S	S	.	*	H	α-helix	trans	-64.5	-31	-177.4	0	0	0	0	0	112.9	E3 R7	E3-A5 PolarHBondContact O-N 2.76Å; E3-A5 VanDerWaalsContact O-N 3.17Å; A5-R7 VanDerWaalsContact C-N 3.3Å; A5-R7 PolarHBondContact O-N 2.74Å
6	V	36.4	Very low	31.5	Very low	65 Å²	65	151.6 Å²	151.6	39%	0.394	74%	0.74	S	S	.	*	H	α-helix	trans	-74.3	-19	178.4	-175.9	0	0	0	0	111.8	M2 E3 P4 W10	M2-V6 HydrophobicContact CE-CB 4.33Å; M2-V6 HydrophobicContact CE-CG1 3.99Å; M2-V6 HydrophobicContact CE-CG2 4.17Å; E3-V6 PolarHBondContact O-N 3.09Å; P4-V6 VanDerWaalsContact C-N 3.28Å; P4-V6 PolarHBondContact O-N 2.88Å; V6-W10 PolarHBondContact O-NE1 2.87Å
7	R	32.3	Very low	31.4	Very low	219 Å²	219	152.6 Å²	152.6	83%	0.826	75%	0.749	S	S	*	*	H	α-helix	trans	-86.1	-23.3	178	-77.3	-176	173.5	-165.5	-1.6	114	P4 A5	P4-R7 PolarHBondContact O-N 3Å; P4-R7 VanDerWaalsContact O-N 3.16Å; A5-R7 VanDerWaalsContact C-N 3.3Å; A5-R7 PolarHBondContact O-N 2.74Å
8	Q	29.3	Very low	31.2	Very low	163 Å²	163	154.9 Å²	154.9	76%	0.762	76%	0.757	S	S	*	*	H	α-helix	trans	-93.1	-19.6	-168	-139.1	170.6	2.3	0	0	113.9	W10	Q8-W10 VanDerWaalsContact C-N 3.29Å
9	I	39	Very low	30.9	Very low	135 Å²	135	159.3 Å²	159.3	69%	0.692	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-77.9	-15.8	174.8	-62.4	172.1	0	0	0	111.6	K11	I9-K11 PolarHBondContact O-N 2.82Å
10	W	38.7	Very low	30.8	Very low	148 Å²	148	157.2 Å²	157.2	56%	0.561	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-86	-1.8	-170.3	-72.8	59.3	0	0	0	115.7	V6 Q8	V6-W10 PolarHBondContact O-NE1 2.87Å; Q8-W10 VanDerWaalsContact C-N 3.29Å
11	K	29.1	Very low	30.6	Very low	191 Å²	191	159.3 Å²	159.3	83%	0.83	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-99.3	-9.1	-179.7	-79.3	-171	175.6	-174.2	0	115.3	I9	I9-K11 PolarHBondContact O-N 2.82Å
12	R	28.6	Very low	30.4	Very low	239 Å²	239	154.1 Å²	154.1	90%	0.902	75%	0.745	S	S	*	*	S	Bend	trans	-108.6	0.4	-169.6	-77.7	-176	172.7	-177.2	-1.9	116.3
13	G	28.9	Very low	30.1	Very low	71 Å²	71	155 Å²	155	73%	0.732	75%	0.752	S	S	*	*	S	Bend	trans	-105.8	18.8	-176.4	0	0	0	0	0	116.5
14	F	29.3	Very low	29.7	Very low	160 Å²	160	156.2 Å²	156.2	70%	0.702	76%	0.757	S	S	*	*			trans	-114.8	22	-177.5	-95.1	-77.7	0	0	0	114.3
15	H	28.8	Very low	29.6	Very low	173 Å²	173	161 Å²	161	80%	0.801	77%	0.768	S	S	*	*	S	Bend	trans	-123.9	93.3	170.2	-80.8	6.5	0	0	0	108.6
16	N	29.3	Very low	29.4	Very low	159 Å²	159	169.4 Å²	169.4	85%	0.85	79%	0.787	S	S	*	*	S	Bend	trans	142.1	84.8	154.3	-73.4	-22.2	0	0	0	109.5
17	L	29.3	Very low	28.8	Very low	169 Å²	169	172.7 Å²	172.7	89%	0.885	81%	0.807	S	S	*	*			trans	-173.2	63.8	149.4	-98.3	160.9	0	0	0	108.5
18	H	27.7	Very low	28.7	Very low	194 Å²	194	171.1 Å²	171.1	90%	0.898	81%	0.808	S	S	*	*			trans	-140.9	98	160.9	-84.5	-62.2	0	0	0	108.2
19	R	26.4	Very low	28.6	Very low	238 Å²	238	169.1 Å²	169.1	90%	0.898	81%	0.813	S	S	*	*			trans	-116.7	119.3	155	-90	-171.9	174.3	-170.7	-0.6	106.9
20	P	28.6	Very low	28	Very low	117 Å²	117	166.2 Å²	166.2	76%	0.76	82%	0.816	S	S	*	*			trans	-76.2	129.2	173.2	29.2	-30.4	0	0	0	109.9
21	F	26	Very low	27.4	Very low	201 Å²	201	168.2 Å²	168.2	88%	0.882	83%	0.831	S	S	*	*			trans	-73.4	119.2	165.8	-98.3	-95.9	0	0	0	109
22	I	26.1	Very low	27.3	Very low	139 Å²	139	165.2 Å²	165.2	71%	0.713	83%	0.832	S	S	*	*			trans	-89.6	107.9	176.4	-61.6	172.8	0	0	0	108.2
23	L	25.7	Very low	27.3	Very low	159 Å²	159	162.2 Å²	162.2	83%	0.832	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-89.8	118.8	164.2	-102.5	101.8	0	0	0	109.9	K25	L23-K25 PolarHBondContact O-N 3.45Å
24	H	24.1	Very low	27.5	Very low	177 Å²	177	167.6 Å²	167.6	82%	0.819	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-68.6	117.3	170.4	-88.2	24.3	0	0	0	111
25	K	27.8	Very low	27.4	Very low	202 Å²	202	164.1 Å²	164.1	88%	0.878	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-88.6	121.2	164	-82.7	-176.3	176.2	178.6	0	109.6	L23	L23-K25 PolarHBondContact O-N 3.45Å
26	R	26.3	Very low	27.6	Very low	239 Å²	239	164 Å²	164	90%	0.902	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-66.3	133.5	170.8	-81.2	177.9	168	172.7	-4.1	110.5
27	T	24.6	Very low	27.7	Very low	134 Å²	134	160.9 Å²	160.9	82%	0.822	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.7	129	169.5	38.2	0	0	0	0	110
28	H	28.6	Very low	28	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.856	82%	0.823	S	S	*	*			trans	-121.6	119.8	159.3	-93.6	-68.4	0	0	0	108.6
29	S	27.1	Very low	28.5	Very low	122 Å²	122	156.6 Å²	156.6	85%	0.853	82%	0.815	S	S	*	*			trans	-75.3	134.3	175.8	47.6	0	0	0	0	111.2
30	G	26.4	Very low	29	Very low	73 Å²	73	149.7 Å²	149.7	75%	0.753	80%	0.803	S	S	*	*			trans	-179.8	95.2	169.6	0	0	0	0	0	110.5
31	Q	26.1	Very low	30.1	Very low	190 Å²	190	152.5 Å²	152.5	89%	0.888	80%	0.798	S	S	*	*			trans	-69.1	151.7	165.6	-75.5	-177.6	-51.7	0	0	110.1
32	P	28.5	Very low	31.3	Very low	129 Å²	129	151.3 Å²	151.3	84%	0.838	80%	0.795	S	S	*	*				-135.9	162	119.7	29.2	-12.4	0	0	0	113.9
33	E	28.1	Very low	32.9	Very low	176 Å²	176	148.7 Å²	148.7	82%	0.822	79%	0.785	S	S	*	*			trans	-73.2	151.5	-166.6	-65	171.5	139.7	0	0	115.8
34	H	33	Very low	34.9	Very low	183 Å²	183	151 Å²	151	85%	0.847	78%	0.783	S	S	*	*			trans	37.2	113.1	150.9	-71.4	-69.7	0	0	0	121.4
35	A	26.4	Very low	37.4	Very low	88 Å²	88	147.8 Å²	147.8	73%	0.727	78%	0.778	S	S	*	*			trans	-148.1	110.3	133	0	0	0	0	0	109.1	V37	A35-V37 PolarHBondContact O-N 3.41Å; A35-V37 VanDerWaalsContact O-N 3.09Å
36	D	33.4	Very low	40	Very low	169 Å²	169	141.1 Å²	141.1	90%	0.904	76%	0.755	S	S	*	*			trans	-75.1	92.7	177.3	-149.2	-1	0	0	0	108.3
37	V	30.7	Very low	43.1	Very low	94 Å²	94	132.7 Å²	132.7	57%	0.57	73%	0.727	S	S	*	*			trans	-101.5	104.4	174.3	-175.9	0	0	0	0	107.3	A35 H39	A35-V37 PolarHBondContact O-N 3.41Å; A35-V37 VanDerWaalsContact O-N 3.09Å; V37-H39 PolarHBondContact O-N 3.09Å
38	S	36.3	Very low	46.4	Very low	116 Å²	116	127.9 Å²	127.9	81%	0.811	70%	0.697	S	S	*	*			trans	-62.9	84	169.9	65.1	0	0	0	0	109.8	S40	S38-S40 PolarHBondContact O-N 3.05Å
39	H	37.3	Very low	49.5	Very low	158 Å²	158	119.5 Å²	119.5	73%	0.731	66%	0.659	S	S	*	*			trans	-69	98.8	165	-78	-37.7	0	0	0	107.7	V37 R41	V37-H39 PolarHBondContact O-N 3.09Å; H39-R41 VanDerWaalsContact C-N 3.25Å; H39-R41 PolarHBondContact O-N 3.07Å
40	S	38.4	Very low	52.6	Low	93 Å²	93	116.8 Å²	116.8	65%	0.65	64%	0.639	S	S	*	*			trans	-48	100	152.3	169.9	0	0	0	0	107	S38 H42	S38-S40 PolarHBondContact O-N 3.05Å; S40-H42 VanDerWaalsContact C-N 3.31Å; S40-H42 PolarHBondContact O-N 3.46Å
41	R	51.1	Low	55.7	Low	175 Å²	175	122.9 Å²	122.9	66%	0.66	64%	0.64	S	S	*	*			trans	-65.4	98.5	175.6	-74.2	-179.1	177.6	-176.9	0.1	105.2	H39 V43 Q405	H39-R41 VanDerWaalsContact C-N 3.25Å; H39-R41 PolarHBondContact O-N 3.07Å; R41-V43 WeakPolarHBondContact O-CG2 3.46Å; R41-V43 PolarHBondContact O-N 3.35Å; R41-Q405 VanDerWaalsContact NH1-CD 3.31Å; R41-Q405 VanDerWaalsContact NH1-NE2 3.13Å
42	H	51.6	Low	58.8	Low	176 Å²	176	115.5 Å²	115.5	82%	0.815	61%	0.606	S	S	*	*			trans	-58.9	93.7	168.7	-79.7	-65.8	0	0	0	108	S40 R44	S40-H42 VanDerWaalsContact C-N 3.31Å; S40-H42 PolarHBondContact O-N 3.46Å; H42-R44 PolarHBondContact O-N 3.14Å
43	V	59.3	Low	61.6	Low	84 Å²	84	116.8 Å²	116.8	51%	0.509	60%	0.595	S	S	.	*			trans	-66.2	106.6	173.5	178.1	0	0	0	0	106	R41 H401	R41-V43 WeakPolarHBondContact O-CG2 3.46Å; R41-V43 PolarHBondContact O-N 3.35Å; V43-H401 WeakPolarHBondContact CG1-CE1 3.47Å; V43-H401 WeakPolarHBondContact CG1-ND1 3.49Å; V43-H401 WeakPolarHBondContact CG2-CE1 3.1Å
44	R	66.9	Low	64.2	Low	209 Å²	209	109.8 Å²	109.8	79%	0.789	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-62.2	132.7	171.8	-74.6	-172.3	-179.1	-175.1	0.5	107.8	H42	H42-R44 PolarHBondContact O-N 3.14Å
45	P	76.7	Confident	66	Low	109 Å²	109	102.6 Å²	102.6	71%	0.708	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-59.9	147.7	176.3	25.5	-33	0	0	0	109.9
46	P	83.6	Confident	67.4	Low	62 Å²	62	99.7 Å²	99.7	40%	0.403	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-61.9	150.7	179.6	27.4	-35.2	0	0	0	111.1	L48 V400 F416	P46-L48 HydrophobicContact CG-CD2 4.04Å; P46-L48 PolarHBondContact O-N 3.28Å; P46-V400 HydrophobicContact CB-CG1 3.66Å; P46-F416 HydrophobicContact CB-CB 4.34Å
47	L	91.4	Very high	68	Low	61 Å²	61	97.5 Å²	97.5	32%	0.319	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	109.3	172.7	-68.2	174.8	0	0	0	109	Y376 V415 F416	L47-Y376 HydrophobicContact CD1-CD1 4.04Å; L47-Y376 HydrophobicContact CD1-CE1 3.44Å; L47-Y376 VanDerWaalsContact CD1-CE1 3.44Å; L47-V415 HydrophobicContact CB-CG1 4.06Å; L47-V415 HydrophobicContact CD1-CG1 4.48Å; L47-V415 CarbonylContact O-C 3.56Å; L47-V415 WeakPolarHBondContact O-CA 3.4Å; L47-F416 PolarHBondContact O-N 3.01Å
48	L	94.3	Very high	68.7	Low	34 Å²	34	95.3 Å²	95.3	18%	0.178	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.2	-177.8	-57.9	-176	0	0	0	110.6	P46 S50 R51 L52 F416 D418	P46-L48 HydrophobicContact CG-CD2 4.04Å; P46-L48 PolarHBondContact O-N 3.28Å; L48-S50 PolarHBondContact O-N 3.2Å; L48-R51 HydrophobicContact CB-CB 4.29Å; L48-R51 HydrophobicContact CB-CG 4.11Å; L48-R51 HydrophobicContact CD1-CG 4.44Å; L48-R51 PolarHBondContact O-N 3.27Å; L48-L52 PolarHBondContact O-N 2.83Å; L48-F416 WeakPolarHBondContact CA-O 3.38Å; L48-F416 HydrophobicContact CD2-CB 4.23Å; L48-F416 HydrophobicContact CD2-CD1 3.76Å; L48-F416 HydrophobicContact CD2-CG 4.49Å; L48-D418 HydrophobicContact CD2-CB 4.17Å
49	V	93.6	Very high	69.3	Low	9 Å²	9	94.6 Å²	94.6	6%	0.055	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-59.4	-35.7	178.3	175.9	0	0	0	0	111.2	R51 L52 V415 F416 D417 D418	V49-R51 PolarHBondContact O-N 3.5Å; V49-R51 VanDerWaalsContact O-N 3.17Å; V49-L52 PolarHBondContact O-N 2.99Å; V49-V415 HydrophobicContact CG2-CB 4.15Å; V49-V415 HydrophobicContact CG2-CG2 4.1Å; V49-F416 PolarHBondContact N-O 3.19Å; V49-D417 HydrophobicContact CB-CB 4.33Å; V49-D417 HydrophobicContact CG2-CB 3.91Å; V49-D418 PolarHBondContact N-OD1 2.88Å
50	S	92.2	Very high	69.4	Low	64 Å²	64	94 Å²	94	45%	0.448	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-61.7	-21.1	176	72.1	0	0	0	0	114.4	L48 D418	L48-S50 PolarHBondContact O-N 3.2Å; S50-D418 WeakPolarHBondContact CB-OD1 3.15Å; S50-D418 VanDerWaalsContact CB-OD2 3.31Å; S50-D418 WeakPolarHBondContact CB-OD2 3.22Å; S50-D418 PolarHBondContact N-OD1 3.18Å; S50-D418 PolarHBondContact OG-OD1 3.01Å; S50-D418 VanDerWaalsContact OG-OD1 3.08Å; S50-D418 PolarHBondContact OG-OD2 3.07Å
51	R	91.7	Very high	69.4	Low	202 Å²	202	92.9 Å²	92.9	76%	0.762	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-104.8	-4.1	-178.1	-60.3	-171.1	-178.2	177.4	2.1	113.4	L48 V49	L48-R51 HydrophobicContact CB-CB 4.29Å; L48-R51 HydrophobicContact CB-CG 4.11Å; L48-R51 HydrophobicContact CD1-CG 4.44Å; L48-R51 PolarHBondContact O-N 3.27Å; V49-R51 PolarHBondContact O-N 3.5Å; V49-R51 VanDerWaalsContact O-N 3.17Å
52	L	89.7	Confident	68.8	Low	35 Å²	35	86.6 Å²	86.6	18%	0.183	44%	0.44	C	S	.	.	S	Bend	trans	-75.9	126.7	170.5	-64.1	179.5	0	0	0	108.6	L48 V49 Q54 Y376 V415	L48-L52 PolarHBondContact O-N 2.83Å; V49-L52 PolarHBondContact O-N 2.99Å; L52-Q54 VanDerWaalsContact C-N 3.3Å; L52-Q54 PolarHBondContact O-N 3.21Å; L52-Y376 HydrophobicContact CD1-CE2 3.96Å; L52-V415 HydrophobicContact CD1-CG1 4.16Å
53	Y	88.6	Confident	68.4	Low	156 Å²	156	86.5 Å²	86.5	61%	0.612	44%	0.44	S	S	*	.			trans	-69.2	95.8	171.3	-179.6	-96.9	0	0	0	108.8	P55 L96 P97	Y53-P55 HydrophobicContact CE1-CG 4.37Å; Y53-L96 HydrophobicContact CE1-CD2 3.96Å; Y53-P97 HydrophobicContact CD1-CG 4.27Å
54	Q	81.5	Confident	67.5	Low	29 Å²	29	91.8 Å²	91.8	14%	0.136	46%	0.459	C	S	.	.			trans	-139.7	98.4	179	-168.9	-168	-22.5	0	0	107.8	L52 S56 A82 L434	L52-Q54 VanDerWaalsContact C-N 3.3Å; L52-Q54 PolarHBondContact O-N 3.21Å; Q54-S56 PolarHBondContact O-N 3.32Å; Q54-S56 PolarHBondContact O-OG 3.4Å; Q54-A82 PolarHBondContact NE2-O 3.23Å; Q54-L434 VanDerWaalsContact CD-CD2 3.41Å; Q54-L434 HydrophobicContact CG-CD2 4.49Å; Q54-L434 VanDerWaalsContact NE2-CD1 3.31Å
55	P	71.7	Confident	66.2	Low	31 Å²	31	85 Å²	85	20%	0.201	44%	0.444	C	S	.	.			trans	-72.1	63.7	178.3	31	-33.9	0	0	0	110.3	Y53 N57 L58 L96	Y53-P55 HydrophobicContact CE1-CG 4.37Å; P55-N57 PolarHBondContact O-N 2.95Å; P55-L58 PolarHBondContact O-N 2.87Å; P55-L96 HydrophobicContact CG-CD1 3.67Å
56	S	56.3	Low	65	Low	28 Å²	28	86 Å²	86	20%	0.196	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.4	174.1	51.3	0	0	0	0	112.3	Q54 L58	Q54-S56 PolarHBondContact O-N 3.32Å; Q54-S56 PolarHBondContact O-OG 3.4Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 3.36Å
57	N	44.5	Very low	63.4	Low	122 Å²	122	87.9 Å²	87.9	65%	0.652	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	9.3	175	-70.4	-14	0	0	0	114.5	P55 R59 D60	P55-N57 PolarHBondContact O-N 2.95Å; N57-R59 PolarHBondContact O-N 3.19Å; N57-D60 PolarHBondContact O-N 3.23Å; N57-D60 VanDerWaalsContact O-N 3.09Å
58	L	47.1	Very low	60.7	Low	48 Å²	48	91.3 Å²	91.3	25%	0.251	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	2.7	164.3	-73.2	169	0	0	0	113.5	P55 S56 V61	P55-L58 PolarHBondContact O-N 2.87Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 3.36Å; L58-V61 HydrophobicContact CD2-CB 4.39Å; L58-V61 HydrophobicContact CD2-CG2 4.12Å
59	R	47.5	Very low	58.7	Low	102 Å²	102	92.7 Å²	92.7	39%	0.385	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.5	164.7	-79.3	169.6	144.4	156.3	-6.4	112.8	N57 D430 R433	N57-R59 PolarHBondContact O-N 3.19Å; R59-D430 IonicContact NH1-OD1 3.41Å; R59-D430 PolarHBondContact NH1-OD1 3.17Å; R59-R433 VanDerWaalsContact NE-NH1 3.12Å
60	D	39.8	Very low	56.9	Low	145 Å²	145	100.7 Å²	100.7	78%	0.775	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-6.1	-169	-64.6	-32.2	0	0	0	114	N57 G62	N57-D60 PolarHBondContact O-N 3.23Å; N57-D60 VanDerWaalsContact O-N 3.09Å; D60-G62 PolarHBondContact O-N 3.22Å; D60-G62 VanDerWaalsContact O-N 3.15Å
61	V	39.3	Very low	55.8	Low	69 Å²	69	100.5 Å²	100.5	42%	0.418	52%	0.518	S	S	.	.	S	Bend	trans	-73.4	110.4	166	-163.4	0	0	0	0	106.1	L58 S65	L58-V61 HydrophobicContact CD2-CB 4.39Å; L58-V61 HydrophobicContact CD2-CG2 4.12Å; V61-S65 WeakPolarHBondContact CG1-OG 3.39Å
62	G	37.7	Very low	55.3	Low	44 Å²	44	94.1 Å²	94.1	45%	0.454	50%	0.501	S	S	.	.			trans	-42.9	153.7	-173.7	0	0	0	0	0	113.2	D60 E64 S65	D60-G62 PolarHBondContact O-N 3.22Å; D60-G62 VanDerWaalsContact O-N 3.15Å; G62-E64 PolarHBondContact O-N 3.21Å; G62-S65 PolarHBondContact O-N 3.49Å; G62-S65 VanDerWaalsContact O-N 3.07Å; G62-S65 PolarHBondContact O-OG 3.45Å
63	Q	43.9	Very low	55.4	Low	174 Å²	174	93 Å²	93	81%	0.813	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-43.8	-22.3	175.2	-80.5	172.6	-41.1	0	0	114.1
64	E	38.8	Very low	55.6	Low	194 Å²	194	88.1 Å²	88.1	91%	0.907	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-70.9	-21	-178.8	-61.5	178.5	167.5	0	0	116	G62	G62-E64 PolarHBondContact O-N 3.21Å
65	S	41.4	Very low	56.3	Low	67 Å²	67	86.8 Å²	86.8	47%	0.469	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-89.8	-7.9	179.2	69.3	0	0	0	0	114.5	V61 G62	V61-S65 WeakPolarHBondContact CG1-OG 3.39Å; G62-S65 PolarHBondContact O-N 3.49Å; G62-S65 VanDerWaalsContact O-N 3.07Å; G62-S65 PolarHBondContact O-OG 3.45Å
66	R	50.8	Low	57.3	Low	129 Å²	129	86.2 Å²	86.2	49%	0.487	47%	0.467	S	S	.	.	S	Bend	trans	-79	125.9	175.3	-60.9	-178.7	-169.9	179.1	4.4	106.9
67	L	48.8	Very low	59	Low	102 Å²	102	87.1 Å²	87.1	53%	0.534	47%	0.467	S	S	.	.			trans	-47.4	128.7	164.1	-82.3	161.1	0	0	0	107.7	G69 P87	L67-G69 PolarHBondContact O-N 2.98Å; L67-P87 HydrophobicContact CD1-CB 3.92Å; L67-P87 HydrophobicContact CD1-CG 4.15Å
68	P	36.5	Very low	61.3	Low	134 Å²	134	81.6 Å²	81.6	87%	0.87	44%	0.437	S	S	*	.	S	Bend	trans	-62.3	110.1	-176.5	8.3	-9.2	0	0	0	109
69	G	50.9	Low	63.6	Low	62 Å²	62	79.3 Å²	79.3	64%	0.639	43%	0.425	S	S	*	.			trans	-175	123.8	177.8	0	0	0	0	0	109.1	L67 M71	L67-G69 PolarHBondContact O-N 2.98Å; G69-M71 PolarHBondContact O-N 3.15Å
70	E	56.8	Low	65.7	Low	178 Å²	178	76.2 Å²	76.2	83%	0.832	42%	0.415	S	S	*	.			trans	-58.1	133.9	172.1	-75.7	-177.5	148.5	0	0	109.2	T72	E70-T72 VanDerWaalsContact O-CG2 3.32Å; E70-T72 WeakPolarHBondContact O-CG2 3.2Å; E70-T72 PolarHBondContact O-N 3.08Å; E70-T72 VanDerWaalsContact O-N 3.07Å
71	M	69.4	Low	68	Low	60 Å²	60	72.2 Å²	72.2	30%	0.296	39%	0.392	S	S	.	.			trans	-66.7	111.2	170.9	-64.2	175.9	120.7	0	0	107.5	G69 K77 Q80 Q81	G69-M71 PolarHBondContact O-N 3.15Å; M71-K77 HydrophobicContact CB-CB 4.35Å; M71-K77 VanDerWaalsContact CE-CA 3.44Å; M71-K77 HydrophobicContact CE-CB 4.3Å; M71-K77 HydrophobicContact CE-CG 4.43Å; M71-K77 HydrophobicContact SD-CB 4Å; M71-K77 HydrophobicContact SD-CG 3.88Å; M71-Q80 HydrophobicContact CE-CB 3.55Å; M71-Q80 HydrophobicContact CE-CG 4.18Å; M71-Q81 HydrophobicContact CE-CG 4.46Å
72	T	80.9	Confident	70.4	Confident	68 Å²	68	69.2 Å²	69.2	42%	0.417	37%	0.374	S	S	.	.			trans	-86.3	-19.5	-165.2	51.4	0	0	0	0	114.5	E70 Q76 F201	E70-T72 VanDerWaalsContact O-CG2 3.32Å; E70-T72 WeakPolarHBondContact O-CG2 3.2Å; E70-T72 PolarHBondContact O-N 3.08Å; E70-T72 VanDerWaalsContact O-N 3.07Å; T72-Q76 PolarHBondContact OG1-OE1 3.47Å; T72-F201 WeakPolarHBondContact OG1-CA 3.45Å; T72-F201 WeakPolarHBondContact OG1-CD1 3.42Å; T72-F201 PolarHBondContact OG1-N 3.21Å
73	C	90.6	Very high	72.9	Confident	10 Å²	10	67.1 Å²	67.1	7%	0.068	35%	0.353	C	S	.	.	S	Bend	trans	-144.3	164.7	178.1	65.6	0	0	0	0	112.7	S75 Q76 K77 F201 I270	C73-S75 PolarHBondContact SG-OG 2.55Å; C73-Q76 PolarHBondContact O-N 3.11Å; C73-Q76 WeakPolarHBondContact SG-CB 3.3Å; C73-K77 PolarHBondContact O-N 3.03Å; C73-F201 HydrophobicContact CB-CD1 3.98Å; C73-I270 HydrophobicContact CB-CG2 4.39Å
74	K	93.8	Very high	75.3	Confident	54 Å²	54	58.9 Å²	58.9	24%	0.235	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-44.9	-175.5	-179.4	178.2	59.5	178.7	0	111.8	K77 L78 E359 S362	K74-K77 WeakPolarHBondContact O-CB 3.41Å; K74-K77 PolarHBondContact O-N 3.21Å; K74-L78 HydrophobicContact CD-CD1 4.39Å; K74-L78 HydrophobicContact CG-CD1 3.78Å; K74-L78 HydrophobicContact CG-CG 4.25Å; K74-L78 WeakPolarHBondContact O-CB 3.34Å; K74-L78 WeakPolarHBondContact O-CG 3.23Å; K74-L78 PolarHBondContact O-N 2.71Å; K74-E359 WeakPolarHBondContact CB-OE1 3.34Å; K74-E359 WeakPolarHBondContact CE-O 3.21Å; K74-E359 PolarHBondContact N-OE2 2.79Å; K74-E359 PolarHBondContact NZ-O 2.92Å; K74-S362 PolarHBondContact NZ-O 2.83Å
75	S	95.4	Very high	77.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.007	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-47.4	177.6	50.6	0	0	0	0	111.7	C73 K77 L78 M79 A355 E359	C73-S75 PolarHBondContact SG-OG 2.55Å; S75-K77 VanDerWaalsContact C-N 3.34Å; S75-K77 PolarHBondContact O-N 3.42Å; S75-L78 PolarHBondContact O-N 3.37Å; S75-M79 VanDerWaalsContact O-CB 3.29Å; S75-M79 WeakPolarHBondContact O-CB 3.23Å; S75-M79 WeakPolarHBondContact O-CG 3.43Å; S75-M79 PolarHBondContact O-N 3.33Å; S75-A355 WeakPolarHBondContact CB-O 3.28Å; S75-E359 WeakPolarHBondContact CB-OE2 3.13Å; S75-E359 PolarHBondContact N-OE2 2.85Å; S75-E359 PolarHBondContact OG-OE2 3.2Å
76	Q	93.5	Very high	80.3	Confident	20 Å²	20	50 Å²	50	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-46.4	174.2	-176.4	-176	17.4	0	0	111.5	T72 C73 Q80	T72-Q76 PolarHBondContact OG1-OE1 3.47Å; C73-Q76 PolarHBondContact O-N 3.11Å; C73-Q76 WeakPolarHBondContact SG-CB 3.3Å; Q76-Q80 WeakPolarHBondContact O-CG 3.38Å; Q76-Q80 PolarHBondContact O-N 3.5Å; Q76-Q80 VanDerWaalsContact O-N 3.15Å
77	K	91.7	Very high	82.2	Confident	46 Å²	46	45.2 Å²	45.2	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-56.8	177.6	179.5	-173	165.6	-158.1	0	111.2	M71 C73 K74 S75 Q81 E364 E365	M71-K77 HydrophobicContact CB-CB 4.35Å; M71-K77 VanDerWaalsContact CE-CA 3.44Å; M71-K77 HydrophobicContact CE-CB 4.3Å; M71-K77 HydrophobicContact CE-CG 4.43Å; M71-K77 HydrophobicContact SD-CB 4Å; M71-K77 HydrophobicContact SD-CG 3.88Å; C73-K77 PolarHBondContact O-N 3.03Å; K74-K77 WeakPolarHBondContact O-CB 3.41Å; K74-K77 PolarHBondContact O-N 3.21Å; S75-K77 VanDerWaalsContact C-N 3.34Å; S75-K77 PolarHBondContact O-N 3.42Å; K77-Q81 WeakPolarHBondContact O-CB 3.18Å; K77-Q81 WeakPolarHBondContact O-CG 3.47Å; K77-Q81 PolarHBondContact O-N 3.19Å; K77-E364 IonicContact NZ-OE1 2.73Å; K77-E364 PolarHBondContact NZ-OE1 3.06Å; K77-E365 IonicContact NZ-OE1 3.47Å; K77-E365 PolarHBondContact NZ-OE1 2.86Å; K77-E365 VanDerWaalsContact NZ-OE1 3.13Å
78	L	93.3	Very high	84.2	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-44.6	-175.5	-69.2	175.8	0	0	0	111.9	K74 S75 Q80 Q81 A82 I358 I367	K74-L78 HydrophobicContact CD-CD1 4.39Å; K74-L78 HydrophobicContact CG-CD1 3.78Å; K74-L78 HydrophobicContact CG-CG 4.25Å; K74-L78 WeakPolarHBondContact O-CB 3.34Å; K74-L78 WeakPolarHBondContact O-CG 3.23Å; K74-L78 PolarHBondContact O-N 2.71Å; S75-L78 PolarHBondContact O-N 3.37Å; L78-Q80 PolarHBondContact O-N 3.34Å; L78-Q81 PolarHBondContact O-N 2.88Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 3.02Å; L78-I358 HydrophobicContact CB-CG2 4.42Å; L78-I358 HydrophobicContact CD1-CG2 4.19Å; L78-I367 HydrophobicContact CB-CD1 4.13Å; L78-I367 HydrophobicContact CB-CG1 3.8Å; L78-I367 HydrophobicContact CD1-CG1 4.2Å; L78-I367 HydrophobicContact CG-CG1 4.46Å
79	M	94.3	Very high	86.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-41.3	-178.4	-68.1	180	90.9	0	0	112.3	S75 G83 L84 I85 T99 L203 A355 I358	S75-M79 VanDerWaalsContact O-CB 3.29Å; S75-M79 WeakPolarHBondContact O-CB 3.23Å; S75-M79 WeakPolarHBondContact O-CG 3.43Å; S75-M79 PolarHBondContact O-N 3.33Å; M79-G83 PolarHBondContact O-N 3.38Å; M79-L84 HydrophobicContact CB-CB 4.04Å; M79-L84 HydrophobicContact CB-CD1 4.41Å; M79-L84 HydrophobicContact CG-CB 4.47Å; M79-L84 HydrophobicContact CG-CD1 4.14Å; M79-L84 WeakPolarHBondContact O-CA 3.31Å; M79-L84 VanDerWaalsContact O-CB 3.26Å; M79-L84 WeakPolarHBondContact O-CB 3.21Å; M79-L84 PolarHBondContact O-N 3.08Å; M79-I85 HydrophobicContact CB-CD1 3.86Å; M79-I85 HydrophobicContact CB-CG1 3.83Å; M79-I85 HydrophobicContact CE-CG2 3.95Å; M79-I85 PolarHBondContact O-N 3.25Å; M79-I85 HydrophobicContact SD-CD1 4.35Å; M79-T99 HydrophobicContact CE-CG2 4.44Å; M79-L203 HydrophobicContact CE-CD1 3.77Å; M79-L203 HydrophobicContact SD-CD1 4.34Å; M79-A355 HydrophobicContact SD-CB 4.11Å; M79-I358 HydrophobicContact CE-CD1 3.93Å; M79-I358 HydrophobicContact CG-CD1 3.5Å; M79-I358 VanDerWaalsContact CG-CD1 3.5Å; M79-I358 HydrophobicContact SD-CD1 3.76Å
80	Q	91.4	Very high	88.6	Confident	36 Å²	36	41.1 Å²	41.1	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-43.7	176.1	-71.1	-176.3	-3.5	0	0	111.6	M71 Q76 L78 A82 G83 I85	M71-Q80 HydrophobicContact CE-CB 3.55Å; M71-Q80 HydrophobicContact CE-CG 4.18Å; Q76-Q80 WeakPolarHBondContact O-CG 3.38Å; Q76-Q80 PolarHBondContact O-N 3.5Å; Q76-Q80 VanDerWaalsContact O-N 3.15Å; L78-Q80 PolarHBondContact O-N 3.34Å; Q80-A82 VanDerWaalsContact C-N 3.33Å; Q80-A82 PolarHBondContact O-N 3.38Å; Q80-G83 PolarHBondContact O-N 3.27Å; Q80-G83 VanDerWaalsContact O-N 3.16Å; Q80-I85 HydrophobicContact CG-CD1 4.19Å; Q80-I85 HydrophobicContact CG-CG1 3.77Å
81	Q	88.4	Confident	90.2	Very high	62 Å²	62	32.8 Å²	32.8	29%	0.29	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-31.9	-180	-72	179.6	3.7	0	0	113.6	M71 K77 L78 G83	M71-Q81 HydrophobicContact CE-CG 4.46Å; K77-Q81 WeakPolarHBondContact O-CB 3.18Å; K77-Q81 WeakPolarHBondContact O-CG 3.47Å; K77-Q81 PolarHBondContact O-N 3.19Å; L78-Q81 PolarHBondContact O-N 2.88Å; Q81-G83 VanDerWaalsContact C-N 3.27Å
82	A	90	Very high	91.4	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.041	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.6	177	0	0	0	0	0	113	Q54 L78 Q80 L84 I367	Q54-A82 PolarHBondContact NE2-O 3.23Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 3.02Å; Q80-A82 VanDerWaalsContact C-N 3.33Å; Q80-A82 PolarHBondContact O-N 3.38Å; A82-L84 HydrophobicContact CB-CD1 4.26Å; A82-L84 HydrophobicContact CB-CG 3.96Å; A82-I367 HydrophobicContact CB-CD1 3.75Å
83	G	90.6	Very high	92.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	40.8	-175	0	0	0	0	0	112.1	M79 Q80 Q81 L96	M79-G83 PolarHBondContact O-N 3.38Å; Q80-G83 PolarHBondContact O-N 3.27Å; Q80-G83 VanDerWaalsContact O-N 3.16Å; Q81-G83 VanDerWaalsContact C-N 3.27Å; G83-L96 VanDerWaalsContact C-CD1 3.45Å; G83-L96 WeakPolarHBondContact O-CB 3.3Å; G83-L96 WeakPolarHBondContact O-CD1 3.36Å
84	L	93.8	Very high	92.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-94.5	-39.4	175.2	-67.2	-175.8	0	0	0	111.6	M79 A82 L96 T99 I358 I367 W369	M79-L84 HydrophobicContact CB-CB 4.04Å; M79-L84 HydrophobicContact CB-CD1 4.41Å; M79-L84 HydrophobicContact CG-CB 4.47Å; M79-L84 HydrophobicContact CG-CD1 4.14Å; M79-L84 WeakPolarHBondContact O-CA 3.31Å; M79-L84 VanDerWaalsContact O-CB 3.26Å; M79-L84 WeakPolarHBondContact O-CB 3.21Å; M79-L84 PolarHBondContact O-N 3.08Å; A82-L84 HydrophobicContact CB-CD1 4.26Å; A82-L84 HydrophobicContact CB-CG 3.96Å; L84-L96 VanDerWaalsContact O-CB 3.29Å; L84-L96 WeakPolarHBondContact O-CB 3.43Å; L84-L96 PolarHBondContact O-N 3.36Å; L84-T99 WeakPolarHBondContact CA-OG1 3.32Å; L84-T99 VanDerWaalsContact CB-OG1 3.23Å; L84-T99 WeakPolarHBondContact CB-OG1 3.27Å; L84-T99 WeakPolarHBondContact O-CB 3.44Å; L84-T99 PolarHBondContact O-OG1 3.17Å; L84-I358 HydrophobicContact CD1-CD1 4.46Å; L84-I367 HydrophobicContact CD1-CD1 3.38Å; L84-I367 HydrophobicContact CG-CD1 4.45Å; L84-W369 HydrophobicContact CD1-CH2 4.03Å; L84-W369 HydrophobicContact CD1-CZ2 3.53Å; L84-W369 HydrophobicContact CD2-CZ2 4.35Å
85	I	93.9	Very high	92.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.1	175.4	66.3	-178.1	0	0	0	110.9	M79 Q80 Y93 Y94 Y95 T99 L203	M79-I85 HydrophobicContact CB-CD1 3.86Å; M79-I85 HydrophobicContact CB-CG1 3.83Å; M79-I85 HydrophobicContact CE-CG2 3.95Å; M79-I85 PolarHBondContact O-N 3.25Å; M79-I85 HydrophobicContact SD-CD1 4.35Å; Q80-I85 HydrophobicContact CG-CD1 4.19Å; Q80-I85 HydrophobicContact CG-CG1 3.77Å; I85-Y93 HydrophobicContact CD1-CD1 4.08Å; I85-Y93 HydrophobicContact CD1-CE1 4.34Å; I85-Y93 HydrophobicContact CG1-CD1 4.4Å; I85-Y94 VanDerWaalsContact CA-O 3.32Å; I85-Y94 WeakPolarHBondContact CA-O 3.17Å; I85-Y95 HydrophobicContact CG2-CD1 4.36Å; I85-T99 HydrophobicContact CG2-CG2 4.26Å; I85-L203 HydrophobicContact CD1-CD2 4.33Å; I85-L203 HydrophobicContact CD1-CG 4.15Å; I85-L203 HydrophobicContact CG2-CD1 4.05Å; I85-L203 HydrophobicContact CG2-CD2 4.35Å; I85-L203 HydrophobicContact CG2-CG 4.36Å
86	H	92	Very high	92.5	Very high	73 Å²	73	34.7 Å²	34.7	34%	0.338	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.9	171.5	-170.5	-74.1	0	0	0	109.7	Y93 Y94	H86-Y93 CarbonylContact O-C 3.53Å; H86-Y93 WeakPolarHBondContact O-CA 3.5Å; H86-Y94 HydrophobicContact CB-CD2 4.22Å; H86-Y94 PolarHBondContact N-O 3.15Å; H86-Y94 PolarHBondContact O-N 3.16Å
87	P	90.6	Very high	92.6	Very high	30 Å²	30	36.7 Å²	36.7	20%	0.195	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.3	178.4	29.3	-35.2	0	0	0	110.9	L67 Y93	L67-P87 HydrophobicContact CD1-CB 3.92Å; L67-P87 HydrophobicContact CD1-CG 4.15Å; P87-Y93 HydrophobicContact CB-CD1 4.15Å; P87-Y93 HydrophobicContact CB-CE1 4.04Å
88	S	91.4	Very high	92.8	Very high	39 Å²	39	34.8 Å²	34.8	27%	0.273	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-53.8	173.6	-179.4	0	0	0	0	110.7	C92 Y94	S88-C92 PolarHBondContact N-O 3.4Å; S88-Y94 PolarHBondContact OG-OH 2.97Å
89	N	89.6	Confident	92.9	Very high	87 Å²	87	34.5 Å²	34.5	47%	0.465	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	167.6	179.2	-56.5	83.8	0	0	0	107.4	G91 C92	N89-G91 PolarHBondContact O-N 2.84Å; N89-C92 HydrophobicContact CB-CB 4.18Å; N89-C92 PolarHBondContact N-O 2.96Å; N89-C92 PolarHBondContact O-N 3.35Å
90	P	90.3	Very high	93.1	Very high	85 Å²	85	36.6 Å²	36.6	55%	0.552	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	120.3	174.5	-28	36.1	0	0	0	111	C92 P199 R207	P90-C92 VanDerWaalsContact C-N 3.3Å; P90-C92 PolarHBondContact O-N 3.12Å; P90-P199 HydrophobicContact CB-CG 4.17Å; P90-R207 PolarHBondContact O-NE 3.22Å; P90-R207 PolarHBondContact O-NH2 2.82Å
91	G	90.1	Very high	93.4	Very high	4 Å²	4	37.9 Å²	37.9	4%	0.041	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	4.7	-178	0	0	0	0	0	117.1	N89 P199 G206 R207	N89-G91 PolarHBondContact O-N 2.84Å; G91-P199 VanDerWaalsContact CA-CB 3.43Å; G91-G206 CarbonylContact O-C 3.57Å; G91-G206 VanDerWaalsContact O-CA 3.31Å; G91-G206 WeakPolarHBondContact O-CA 3.3Å; G91-R207 PolarHBondContact O-N 2.73Å
92	C	94.7	Very high	93.9	Very high	19 Å²	19	35 Å²	35	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.2	178.2	-60.6	0	0	0	0	110.4	S88 N89 P90	S88-C92 PolarHBondContact N-O 3.4Å; N89-C92 HydrophobicContact CB-CB 4.18Å; N89-C92 PolarHBondContact N-O 2.96Å; N89-C92 PolarHBondContact O-N 3.35Å; P90-C92 VanDerWaalsContact C-N 3.3Å; P90-C92 PolarHBondContact O-N 3.12Å
93	Y	95	Very high	94.3	Very high	32 Å²	32	35.1 Å²	35.1	13%	0.125	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.6	-173.1	-62.1	-92.6	0	0	0	111.6	I85 H86 P87 G202 L203	I85-Y93 HydrophobicContact CD1-CD1 4.08Å; I85-Y93 HydrophobicContact CD1-CE1 4.34Å; I85-Y93 HydrophobicContact CG1-CD1 4.4Å; H86-Y93 CarbonylContact O-C 3.53Å; H86-Y93 WeakPolarHBondContact O-CA 3.5Å; P87-Y93 HydrophobicContact CB-CD1 4.15Å; P87-Y93 HydrophobicContact CB-CE1 4.04Å; Y93-G202 WeakPolarHBondContact CE2-O 3.5Å; Y93-G202 VanDerWaalsContact OH-CA 3.32Å; Y93-G202 WeakPolarHBondContact OH-CA 3.3Å; Y93-L203 HydrophobicContact CD2-CD2 3.71Å; Y93-L203 HydrophobicContact CE2-CD2 4.41Å; Y93-L203 HydrophobicContact CG-CD2 3.89Å
94	Y	95.6	Very high	94.7	Very high	135 Å²	135	39.6 Å²	39.6	53%	0.529	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127	159.5	-58.2	-68.6	0	0	0	109.1	I85 H86 S88	I85-Y94 VanDerWaalsContact CA-O 3.32Å; I85-Y94 WeakPolarHBondContact CA-O 3.17Å; H86-Y94 HydrophobicContact CB-CD2 4.22Å; H86-Y94 PolarHBondContact N-O 3.15Å; H86-Y94 PolarHBondContact O-N 3.16Å; S88-Y94 PolarHBondContact OG-OH 2.97Å
95	Y	96.6	Very high	94.9	Very high	30 Å²	30	39.6 Å²	39.6	12%	0.118	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.2	169.2	-54.7	-18.6	0	0	0	108	I85 T99 V100 M103 L203 Y210 T351	I85-Y95 HydrophobicContact CG2-CD1 4.36Å; Y95-T99 HydrophobicContact CG-CG2 4.24Å; Y95-V100 WeakPolarHBondContact O-CG2 3.47Å; Y95-M103 HydrophobicContact CD2-CE 4.48Å; Y95-M103 HydrophobicContact CD2-SD 3.99Å; Y95-M103 HydrophobicContact CE2-SD 3.98Å; Y95-L203 HydrophobicContact CD1-CD2 4.36Å; Y95-L203 HydrophobicContact CE1-CD1 4.37Å; Y95-L203 HydrophobicContact CE1-CD2 3.61Å; Y95-Y210 AromaticContact CE2-CD2 3.8Å; Y95-Y210 HydrophobicContact CE2-CD2 3.8Å; Y95-Y210 AromaticContact CE2-CE2 3.94Å; Y95-Y210 HydrophobicContact CE2-CE2 3.94Å; Y95-T351 HydrophobicContact CE2-CG2 3.57Å; Y95-T351 WeakPolarHBondContact OH-CG2 3.35Å
96	L	95.7	Very high	95.2	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.084	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-81.3	164.5	-178.8	-58.1	-175.6	0	0	0	110.1	Y53 P55 G83 L84 S98 T99 V100	Y53-L96 HydrophobicContact CE1-CD2 3.96Å; P55-L96 HydrophobicContact CG-CD1 3.67Å; G83-L96 VanDerWaalsContact C-CD1 3.45Å; G83-L96 WeakPolarHBondContact O-CB 3.3Å; G83-L96 WeakPolarHBondContact O-CD1 3.36Å; L84-L96 VanDerWaalsContact O-CB 3.29Å; L84-L96 WeakPolarHBondContact O-CB 3.43Å; L84-L96 PolarHBondContact O-N 3.36Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3.34Å; L96-S98 VanDerWaalsContact O-N 3.09Å; L96-T99 WeakPolarHBondContact O-CA 3.31Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.4Å; L96-V100 PolarHBondContact O-N 2.98Å
97	P	95.8	Very high	95.5	Very high	62 Å²	62	37.3 Å²	37.3	40%	0.403	20%	0.195	S	C	.	.	H	α-helix	trans	-51.8	-41.5	-166.4	-31.6	37	0	0	0	115.1	Y53 T99 V100 R101	Y53-P97 HydrophobicContact CD1-CG 4.27Å; P97-T99 PolarHBondContact O-N 3.25Å; P97-V100 PolarHBondContact O-N 3.28Å; P97-R101 WeakPolarHBondContact O-CB 3.48Å; P97-R101 PolarHBondContact O-N 2.77Å
98	S	95	Very high	95.9	Very high	6 Å²	6	40 Å²	40	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-38.2	177.1	-60.9	0	0	0	0	112.6	L96 R101 S102	L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3.34Å; L96-S98 VanDerWaalsContact O-N 3.09Å; S98-R101 PolarHBondContact O-N 3.35Å; S98-S102 PolarHBondContact O-N 2.81Å; S98-S102 PolarHBondContact O-OG 3.29Å
99	T	97.3	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70	-41.7	175.3	-66.8	0	0	0	0	111.9	M79 L84 I85 Y95 L96 P97 R101 S102 M103	M79-T99 HydrophobicContact CE-CG2 4.44Å; L84-T99 WeakPolarHBondContact CA-OG1 3.32Å; L84-T99 VanDerWaalsContact CB-OG1 3.23Å; L84-T99 WeakPolarHBondContact CB-OG1 3.27Å; L84-T99 WeakPolarHBondContact O-CB 3.44Å; L84-T99 PolarHBondContact O-OG1 3.17Å; I85-T99 HydrophobicContact CG2-CG2 4.26Å; Y95-T99 HydrophobicContact CG-CG2 4.24Å; L96-T99 WeakPolarHBondContact O-CA 3.31Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.4Å; P97-T99 PolarHBondContact O-N 3.25Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 3.13Å; T99-S102 PolarHBondContact O-N 2.71Å; T99-M103 VanDerWaalsContact O-CB 3.29Å; T99-M103 WeakPolarHBondContact O-CB 3.4Å; T99-M103 PolarHBondContact O-N 2.9Å
100	V	98.1	Very high	96.7	Very high	46 Å²	46	34 Å²	34	28%	0.279	17%	0.166	S	C	.	.	H	α-helix	trans	-59.1	-45.9	174.2	176.6	0	0	0	0	109.9	Y95 L96 P97 S102 M103 E104	Y95-V100 WeakPolarHBondContact O-CG2 3.47Å; L96-V100 PolarHBondContact O-N 2.98Å; P97-V100 PolarHBondContact O-N 3.28Å; V100-S102 PolarHBondContact O-N 3.44Å; V100-M103 WeakPolarHBondContact O-CB 3.34Å; V100-M103 PolarHBondContact O-N 2.93Å; V100-E104 HydrophobicContact CG1-CG 4.42Å; V100-E104 WeakPolarHBondContact O-CG 3.44Å; V100-E104 PolarHBondContact O-N 2.76Å
101	R	97.8	Very high	97.1	Very high	63 Å²	63	31.1 Å²	31.1	24%	0.238	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-45.7	176.4	-174.9	174.7	177.3	86.8	5.3	112.7	P97 S98 T99 E104 K105 P375 G412 E413	P97-R101 WeakPolarHBondContact O-CB 3.48Å; P97-R101 PolarHBondContact O-N 2.77Å; S98-R101 PolarHBondContact O-N 3.35Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 3.13Å; R101-E104 PolarHBondContact O-N 2.93Å; R101-K105 WeakPolarHBondContact O-CG 3.19Å; R101-K105 PolarHBondContact O-N 3.35Å; R101-P375 WeakPolarHBondContact CD-O 3.17Å; R101-P375 PolarHBondContact NE-O 2.91Å; R101-G412 PolarHBondContact NH2-O 2.99Å; R101-E413 IonicContact CZ-OE1 3.53Å; R101-E413 IonicContact NH2-OE1 3.66Å; R101-E413 PolarHBondContact NH2-OE1 2.95Å; R101-E413 IonicContact NH2-OE2 2.97Å
102	S	98.4	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-39.8	175.3	-74.4	0	0	0	0	112.9	S98 T99 V100 K105 L106 I373 P375	S98-S102 PolarHBondContact O-N 2.81Å; S98-S102 PolarHBondContact O-OG 3.29Å; T99-S102 PolarHBondContact O-N 2.71Å; V100-S102 PolarHBondContact O-N 3.44Å; S102-K105 PolarHBondContact O-N 3.12Å; S102-L106 PolarHBondContact O-N 2.98Å; S102-I373 WeakPolarHBondContact CB-O 3.41Å; S102-I373 PolarHBondContact OG-O 2.85Å; S102-P375 WeakPolarHBondContact OG-CD 3.31Å; S102-P375 WeakPolarHBondContact OG-CG 3.3Å
103	M	98.6	Very high	97.7	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.044	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-46.7	176	-172.4	-176.3	71.9	0	0	111	Y95 T99 V100 K105 L106 I107 Y210 V350 T351 L354	Y95-M103 HydrophobicContact CD2-CE 4.48Å; Y95-M103 HydrophobicContact CD2-SD 3.99Å; Y95-M103 HydrophobicContact CE2-SD 3.98Å; T99-M103 VanDerWaalsContact O-CB 3.29Å; T99-M103 WeakPolarHBondContact O-CB 3.4Å; T99-M103 PolarHBondContact O-N 2.9Å; V100-M103 WeakPolarHBondContact O-CB 3.34Å; V100-M103 PolarHBondContact O-N 2.93Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 2.97Å; M103-L106 WeakPolarHBondContact O-CB 3.34Å; M103-L106 PolarHBondContact O-N 2.94Å; M103-I107 HydrophobicContact CE-CD1 4.45Å; M103-I107 HydrophobicContact CG-CD1 4.12Å; M103-I107 VanDerWaalsContact O-CG1 3.25Å; M103-I107 WeakPolarHBondContact O-CG1 3.37Å; M103-I107 PolarHBondContact O-N 3.07Å; M103-Y210 HydrophobicContact CE-CD2 4.34Å; M103-Y210 HydrophobicContact CE-CE1 4.21Å; M103-Y210 HydrophobicContact CE-CE2 4.01Å; M103-Y210 HydrophobicContact SD-CD1 4.3Å; M103-Y210 HydrophobicContact SD-CD2 3.73Å; M103-Y210 HydrophobicContact SD-CE2 3.99Å; M103-Y210 HydrophobicContact SD-CG 3.88Å; M103-V350 HydrophobicContact CG-CG1 4.01Å; M103-T351 HydrophobicContact SD-CG2 3.94Å; M103-L354 HydrophobicContact CB-CD1 3.76Å; M103-L354 HydrophobicContact CG-CD1 4.18Å
104	E	98.6	Very high	97.8	Very high	94 Å²	94	32.4 Å²	32.4	44%	0.439	15%	0.15	S	C	.	.	H	α-helix	trans	-61.7	-38	176.5	-73	175.9	172.4	0	0	112.5	V100 R101 I107 R108	V100-E104 HydrophobicContact CG1-CG 4.42Å; V100-E104 WeakPolarHBondContact O-CG 3.44Å; V100-E104 PolarHBondContact O-N 2.76Å; R101-E104 PolarHBondContact O-N 2.93Å; E104-I107 WeakPolarHBondContact O-CB 3.27Å; E104-I107 PolarHBondContact O-N 3.43Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 3.13Å
105	K	98.7	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-48.1	172.1	-76.6	176.7	173.7	-168.4	0	111.6	R101 S102 M103 I107 R108 V109 I373 A374 P375 E413	R101-K105 WeakPolarHBondContact O-CG 3.19Å; R101-K105 PolarHBondContact O-N 3.35Å; S102-K105 PolarHBondContact O-N 3.12Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 2.97Å; K105-I107 VanDerWaalsContact C-N 3.29Å; K105-I107 PolarHBondContact O-N 3.15Å; K105-R108 VanDerWaalsContact CG-NH2 3.3Å; K105-R108 WeakPolarHBondContact O-CB 3.36Å; K105-R108 PolarHBondContact O-N 3.37Å; K105-R108 VanDerWaalsContact O-N 3.14Å; K105-V109 WeakPolarHBondContact O-CG2 3.45Å; K105-V109 PolarHBondContact O-N 2.81Å; K105-I373 HydrophobicContact CB-CB 4.39Å; K105-I373 HydrophobicContact CB-CG2 4.42Å; K105-A374 WeakPolarHBondContact CD-O 3.33Å; K105-A374 PolarHBondContact NZ-O 2.99Å; K105-P375 PolarHBondContact NZ-O 3.35Å; K105-P375 VanDerWaalsContact NZ-O 3.09Å; K105-E413 WeakPolarHBondContact CE-OE1 3.34Å; K105-E413 IonicContact NZ-OE1 3.78Å; K105-E413 PolarHBondContact NZ-OE1 2.85Å; K105-E413 IonicContact NZ-OE2 3.49Å; K105-E413 PolarHBondContact NZ-OE2 2.85Å
106	L	98.8	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-42.5	176.3	177.4	58.8	0	0	0	111.5	S102 M103 R108 V109 I110 L242 V350 I353 L354 I373	S102-L106 PolarHBondContact O-N 2.98Å; M103-L106 WeakPolarHBondContact O-CB 3.34Å; M103-L106 PolarHBondContact O-N 2.94Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 2.9Å; L106-V109 PolarHBondContact O-N 2.79Å; L106-I110 HydrophobicContact CD1-CD1 4.08Å; L106-I110 HydrophobicContact CD1-CG1 4.23Å; L106-I110 HydrophobicContact CG-CD1 3.9Å; L106-I110 HydrophobicContact CG-CG1 4.48Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.36Å; L106-I110 PolarHBondContact O-N 2.91Å; L106-L242 HydrophobicContact CD1-CD1 3.78Å; L106-L242 HydrophobicContact CD1-CD2 4.34Å; L106-V350 HydrophobicContact CD2-CG1 3.83Å; L106-V350 VanDerWaalsContact CD2-O 3.3Å; L106-V350 WeakPolarHBondContact CD2-O 3.12Å; L106-V350 HydrophobicContact CG-CG1 4.24Å; L106-I353 HydrophobicContact CD1-CG2 4.18Å; L106-I353 HydrophobicContact CD2-CB 3.93Å; L106-I353 HydrophobicContact CD2-CG2 3.7Å; L106-L354 HydrophobicContact CB-CD2 4.43Å; L106-L354 HydrophobicContact CD2-CD2 4.04Å; L106-L354 HydrophobicContact CD2-CG 3.97Å; L106-I373 HydrophobicContact CB-CG2 4.03Å; L106-I373 HydrophobicContact CD1-CG2 4.4Å
107	I	98.8	Very high	98.2	Very high	26 Å²	26	35.8 Å²	35.8	13%	0.133	18%	0.179	C	C	.	.	H	α-helix	trans	-57.2	-46.1	174.6	-71.6	172.2	0	0	0	110.7	M103 E104 K105 V109 I110 D111 I189 V350	M103-I107 HydrophobicContact CE-CD1 4.45Å; M103-I107 HydrophobicContact CG-CD1 4.12Å; M103-I107 VanDerWaalsContact O-CG1 3.25Å; M103-I107 WeakPolarHBondContact O-CG1 3.37Å; M103-I107 PolarHBondContact O-N 3.07Å; E104-I107 WeakPolarHBondContact O-CB 3.27Å; E104-I107 PolarHBondContact O-N 3.43Å; K105-I107 VanDerWaalsContact C-N 3.29Å; K105-I107 PolarHBondContact O-N 3.15Å; I107-V109 PolarHBondContact O-N 3.19Å; I107-I110 PolarHBondContact O-N 2.77Å; I107-D111 WeakPolarHBondContact O-CB 3.46Å; I107-D111 VanDerWaalsContact O-CG 3.24Å; I107-D111 PolarHBondContact O-N 3.13Å; I107-I189 HydrophobicContact CB-CD1 4.45Å; I107-I189 HydrophobicContact CD1-CG2 4.03Å; I107-I189 HydrophobicContact CG1-CD1 4.4Å; I107-I189 HydrophobicContact CG1-CG2 3.94Å; I107-I189 HydrophobicContact CG2-CD1 3.9Å; I107-V350 HydrophobicContact CG1-CG1 4.09Å
108	R	98.7	Very high	98.3	Very high	87 Å²	87	35 Å²	35	33%	0.328	18%	0.181	S	C	.	.	H	α-helix	trans	-61.5	-41.1	176.9	-71.8	-166.6	-67.6	-89.3	9.4	112.7	E104 K105 L106 D111 Q112 V481	E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 3.13Å; K105-R108 VanDerWaalsContact CG-NH2 3.3Å; K105-R108 WeakPolarHBondContact O-CB 3.36Å; K105-R108 PolarHBondContact O-N 3.37Å; K105-R108 VanDerWaalsContact O-N 3.14Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 2.9Å; R108-D111 PolarHBondContact O-N 3Å; R108-Q112 VanDerWaalsContact O-CG 3.27Å; R108-Q112 WeakPolarHBondContact O-CG 3.44Å; R108-Q112 PolarHBondContact O-N 3.32Å; R108-V481 HydrophobicContact CB-CG1 3.51Å; R108-V481 PolarHBondContact NE-O 3.49Å; R108-V481 VanDerWaalsContact NE-O 3.12Å; R108-V481 PolarHBondContact NE-OXT 3.32Å; R108-V481 PolarHBondContact NH2-O 2.94Å
109	V	98.6	Very high	98.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-43.5	176.1	-175.7	0	0	0	0	110.9	K105 L106 I107 Q112 E113 L238 L372 V481	K105-V109 WeakPolarHBondContact O-CG2 3.45Å; K105-V109 PolarHBondContact O-N 2.81Å; L106-V109 PolarHBondContact O-N 2.79Å; I107-V109 PolarHBondContact O-N 3.19Å; V109-Q112 WeakPolarHBondContact O-CB 3.48Å; V109-Q112 PolarHBondContact O-N 2.91Å; V109-E113 PolarHBondContact O-N 2.86Å; V109-E113 VanDerWaalsContact O-N 3.15Å; V109-L238 HydrophobicContact CB-CD1 4.21Å; V109-L238 HydrophobicContact CG1-CD1 3.51Å; V109-L372 HydrophobicContact CG2-CB 4.36Å; V109-L372 HydrophobicContact CG2-CD1 4.36Å; V109-V481 HydrophobicContact CG2-CB 4.26Å; V109-V481 HydrophobicContact CG2-CG1 3.81Å; V109-V481 HydrophobicContact CG2-CG2 3.63Å
110	I	98.8	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-46.7	176	-68.1	167.9	0	0	0	110.3	L106 I107 Q112 E113 M114 I189 K212 L238 L348 V350	L106-I110 HydrophobicContact CD1-CD1 4.08Å; L106-I110 HydrophobicContact CD1-CG1 4.23Å; L106-I110 HydrophobicContact CG-CD1 3.9Å; L106-I110 HydrophobicContact CG-CG1 4.48Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.36Å; L106-I110 PolarHBondContact O-N 2.91Å; I107-I110 PolarHBondContact O-N 2.77Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 3.31Å; I110-E113 PolarHBondContact O-N 2.78Å; I110-M114 HydrophobicContact CG2-CG 4.17Å; I110-M114 VanDerWaalsContact O-CG 3.32Å; I110-M114 WeakPolarHBondContact O-CG 3.41Å; I110-M114 PolarHBondContact O-N 2.85Å; I110-I189 HydrophobicContact CB-CD1 4.29Å; I110-I189 HydrophobicContact CG2-CD1 3.88Å; I110-K212 HydrophobicContact CG2-CB 4.23Å; I110-K212 HydrophobicContact CG2-CG 3.87Å; I110-L238 HydrophobicContact CG1-CD1 4Å; I110-L238 HydrophobicContact CG1-CD2 3.78Å; I110-L348 HydrophobicContact CD1-CD1 4.34Å; I110-L348 HydrophobicContact CG1-CD1 4.32Å; I110-L348 HydrophobicContact CG2-CD1 4.33Å; I110-V350 HydrophobicContact CD1-CG2 3.9Å
111	D	98.8	Very high	98.5	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.134	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-41.9	179.1	-73.3	-14.3	0	0	0	111.3	I107 R108 M114 Q115 K121 Y187 I189	I107-D111 WeakPolarHBondContact O-CB 3.46Å; I107-D111 VanDerWaalsContact O-CG 3.24Å; I107-D111 PolarHBondContact O-N 3.13Å; R108-D111 PolarHBondContact O-N 3Å; D111-M114 PolarHBondContact O-N 3.1Å; D111-Q115 WeakPolarHBondContact O-CB 3.42Å; D111-Q115 WeakPolarHBondContact O-CG 3.39Å; D111-Q115 PolarHBondContact O-N 2.97Å; D111-K121 IonicContact OD1-NZ 3.41Å; D111-K121 PolarHBondContact OD1-NZ 3.36Å; D111-K121 IonicContact OD2-NZ 4Å; D111-K121 PolarHBondContact OD2-NZ 3.3Å; D111-Y187 WeakPolarHBondContact OD1-CE2 3.2Å; D111-Y187 PolarHBondContact OD1-OH 3.36Å; D111-I189 WeakPolarHBondContact OD1-CD1 3.4Å
112	Q	98.6	Very high	98.5	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-59.2	-48	175.3	-72.1	166.8	0.2	0	0	111.7	R108 V109 I110 M114 Q115 V116	R108-Q112 VanDerWaalsContact O-CG 3.27Å; R108-Q112 WeakPolarHBondContact O-CG 3.44Å; R108-Q112 PolarHBondContact O-N 3.32Å; V109-Q112 WeakPolarHBondContact O-CB 3.48Å; V109-Q112 PolarHBondContact O-N 2.91Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 3.31Å; Q112-M114 VanDerWaalsContact C-N 3.34Å; Q112-M114 PolarHBondContact O-N 2.97Å; Q112-Q115 PolarHBondContact O-N 3.24Å; Q112-V116 VanDerWaalsContact O-CG2 3.3Å; Q112-V116 WeakPolarHBondContact O-CG2 3.34Å; Q112-V116 PolarHBondContact O-N 2.69Å; Q112-V116 VanDerWaalsContact O-N 3.1Å
113	E	98.6	Very high	98.4	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-36.4	179.1	-67.3	-56.6	142.8	0	0	112.5	V109 I110 R237 L238 R241	V109-E113 PolarHBondContact O-N 2.86Å; V109-E113 VanDerWaalsContact O-N 3.15Å; I110-E113 PolarHBondContact O-N 2.78Å; E113-R237 WeakPolarHBondContact OE2-CB 3.38Å; E113-R237 IonicContact OE2-CZ 3.74Å; E113-R237 IonicContact OE2-NE 3.17Å; E113-R237 PolarHBondContact OE2-NE 3.38Å; E113-R237 IonicContact OE2-NH2 3.91Å; E113-L238 HydrophobicContact CG-CB 4.1Å; E113-L238 HydrophobicContact CG-CD1 4.47Å; E113-R241 WeakPolarHBondContact OE1-CD 3.33Å; E113-R241 IonicContact OE1-CZ 3.96Å; E113-R241 IonicContact OE1-NE 4Å; E113-R241 IonicContact OE1-NH1 2.89Å; E113-R241 PolarHBondContact OE1-NH1 3.03Å
114	M	98.7	Very high	98.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-70.8	-38.5	176.6	-64.5	-55.1	92.2	0	0	111.8	I110 D111 Q112 V116 I117 G118 G119 Y187 K212 M214 A234 Y235	I110-M114 HydrophobicContact CG2-CG 4.17Å; I110-M114 VanDerWaalsContact O-CG 3.32Å; I110-M114 WeakPolarHBondContact O-CG 3.41Å; I110-M114 PolarHBondContact O-N 2.85Å; D111-M114 PolarHBondContact O-N 3.1Å; Q112-M114 VanDerWaalsContact C-N 3.34Å; Q112-M114 PolarHBondContact O-N 2.97Å; M114-V116 VanDerWaalsContact C-N 3.33Å; M114-V116 PolarHBondContact O-N 3.45Å; M114-I117 HydrophobicContact CE-CD1 4.26Å; M114-I117 WeakPolarHBondContact O-CG1 3.15Å; M114-I117 PolarHBondContact O-N 2.84Å; M114-I117 HydrophobicContact SD-CD1 4.31Å; M114-G118 PolarHBondContact O-N 3.12Å; M114-G119 VanDerWaalsContact O-CA 3.28Å; M114-G119 WeakPolarHBondContact O-CA 3.44Å; M114-G119 PolarHBondContact O-N 3.08Å; M114-Y187 HydrophobicContact CB-CD1 4.19Å; M114-Y187 HydrophobicContact CB-CE1 3.69Å; M114-Y187 HydrophobicContact CB-CE2 4.18Å; M114-Y187 HydrophobicContact CG-CD2 4.34Å; M114-Y187 HydrophobicContact CG-CE1 4.38Å; M114-Y187 HydrophobicContact CG-CE2 4.16Å; M114-K212 HydrophobicContact SD-CD 4.47Å; M114-K212 WeakPolarHBondContact SD-CE 3.29Å; M114-K212 PolarHBondContact SD-NZ 3.49Å; M114-M214 HydrophobicContact CB-CE 4.04Å; M114-M214 HydrophobicContact CG-CE 4.03Å; M114-M214 HydrophobicContact SD-CE 3.47Å; M114-M214 WeakPolarHBondContact SD-CE 3.5Å; M114-M214 HydrophobicContact SD-SD 3.92Å; M114-A234 HydrophobicContact CE-CB 3.72Å; M114-Y235 HydrophobicContact CE-CD1 4.22Å; M114-Y235 HydrophobicContact CE-CE1 4.08Å; M114-Y235 HydrophobicContact SD-CE1 4.48Å
115	Q	98.1	Very high	98.3	Very high	123 Å²	123	48.1 Å²	48.1	58%	0.575	26%	0.257	S	S	*	.	H	α-helix	trans	-64.9	-36.2	176.6	-75.7	169.6	5.3	0	0	112.3	D111 Q112 I117 G118	D111-Q115 WeakPolarHBondContact O-CB 3.42Å; D111-Q115 WeakPolarHBondContact O-CG 3.39Å; D111-Q115 PolarHBondContact O-N 2.97Å; Q112-Q115 PolarHBondContact O-N 3.24Å; Q115-I117 PolarHBondContact O-N 2.79Å; Q115-G118 PolarHBondContact O-N 3.23Å
116	V	98.3	Very high	98.2	Very high	104 Å²	104	50 Å²	50	63%	0.63	27%	0.27	S	S	*	.	H	α-helix	trans	-57.6	-35.5	177	165.7	0	0	0	0	112	Q112 M114	Q112-V116 VanDerWaalsContact O-CG2 3.3Å; Q112-V116 WeakPolarHBondContact O-CG2 3.34Å; Q112-V116 PolarHBondContact O-N 2.69Å; Q112-V116 VanDerWaalsContact O-N 3.1Å; M114-V116 VanDerWaalsContact C-N 3.33Å; M114-V116 PolarHBondContact O-N 3.45Å
117	I	98.2	Very high	98.2	Very high	26 Å²	26	54.3 Å²	54.3	13%	0.133	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.9	178.5	64.9	170.5	0	0	0	113.3	M114 Q115 L185 M214 V231 A234	M114-I117 HydrophobicContact CE-CD1 4.26Å; M114-I117 WeakPolarHBondContact O-CG1 3.15Å; M114-I117 PolarHBondContact O-N 2.84Å; M114-I117 HydrophobicContact SD-CD1 4.31Å; Q115-I117 PolarHBondContact O-N 2.79Å; I117-L185 HydrophobicContact CD1-CD1 4.31Å; I117-L185 HydrophobicContact CG1-CD1 4.24Å; I117-L185 WeakPolarHBondContact O-CD1 3.47Å; I117-M214 HydrophobicContact CD1-CE 4.46Å; I117-M214 HydrophobicContact CD1-SD 4.36Å; I117-V231 HydrophobicContact CD1-CB 4.4Å; I117-V231 HydrophobicContact CD1-CG2 3.75Å; I117-A234 HydrophobicContact CD1-CB 4.19Å; I117-A234 HydrophobicContact CG2-CB 4.08Å
118	G	98.1	Very high	98	Very high	44 Å²	44	53.5 Å²	53.5	45%	0.454	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	15	-179.2	0	0	0	0	0	114.9	M114 Q115	M114-G118 PolarHBondContact O-N 3.12Å; Q115-G118 PolarHBondContact O-N 3.23Å
119	G	98.4	Very high	97.9	Very high	9 Å²	9	51.2 Å²	51.2	9%	0.093	29%	0.286	C	S	.	.			trans	-61.1	131.2	174.8	0	0	0	0	0	112.9	M114 L185	M114-G119 VanDerWaalsContact O-CA 3.28Å; M114-G119 WeakPolarHBondContact O-CA 3.44Å; M114-G119 PolarHBondContact O-N 3.08Å; G119-L185 CarbonylContact C-O 3.53Å; G119-L185 WeakPolarHBondContact CA-O 3.21Å
120	Q	98.4	Very high	97.8	Very high	102 Å²	102	51.2 Å²	51.2	48%	0.477	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.2	179.6	-62.8	174.3	65.9	0	0	109.6	L185 L186 Y187	Q120-L185 PolarHBondContact N-O 2.69Å; Q120-L186 HydrophobicContact CB-CD2 4Å; Q120-L186 WeakPolarHBondContact O-CA 3.34Å; Q120-Y187 WeakPolarHBondContact O-CD1 3.38Å; Q120-Y187 PolarHBondContact O-N 2.74Å
121	K	98.5	Very high	97.7	Very high	99 Å²	99	56 Å²	56	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.7	-177.5	-162.5	168.7	-178.6	164.8	0	110.7	D111 Y187	D111-K121 IonicContact OD1-NZ 3.41Å; D111-K121 PolarHBondContact OD1-NZ 3.36Å; D111-K121 IonicContact OD2-NZ 4Å; D111-K121 PolarHBondContact OD2-NZ 3.3Å; K121-Y187 CarbonylContact C-O 3.49Å; K121-Y187 VanDerWaalsContact CA-O 3.27Å; K121-Y187 WeakPolarHBondContact CA-O 3.42Å; K121-Y187 HydrophobicContact CB-CD1 4.41Å; K121-Y187 HydrophobicContact CB-CE1 3.79Å; K121-Y187 HydrophobicContact CB-CE2 4.08Å; K121-Y187 HydrophobicContact CD-CE2 3.83Å; K121-Y187 HydrophobicContact CG-CD2 4.29Å; K121-Y187 HydrophobicContact CG-CE1 4.39Å; K121-Y187 HydrophobicContact CG-CE2 3.78Å
122	L	97.7	Very high	97.5	Very high	44 Å²	44	56.9 Å²	56.9	23%	0.23	32%	0.316	C	S	.	.			trans	-133.9	176.4	173.1	60.1	76.2	0	0	0	110.3	M124 L170 L186 Y187 Q188	L122-M124 HydrophobicContact CD1-CE 3.94Å; L122-M124 HydrophobicContact CD1-CG 3.39Å; L122-M124 HydrophobicContact CD1-SD 3.98Å; L122-L170 HydrophobicContact CD2-CD2 4.14Å; L122-L186 HydrophobicContact CD2-CB 3.81Å; L122-L186 HydrophobicContact CD2-CD1 3.95Å; L122-L186 HydrophobicContact CD2-CD2 4.29Å; L122-L186 HydrophobicContact CD2-CG 4.23Å; L122-Y187 PolarHBondContact N-O 3.29Å; L122-Q188 HydrophobicContact CD1-CB 4.33Å; L122-Q188 WeakPolarHBondContact O-CA 3.46Å; L122-Q188 WeakPolarHBondContact O-CB 3.36Å
123	D	97.1	Very high	97.4	Very high	133 Å²	133	53.8 Å²	53.8	71%	0.711	30%	0.302	S	S	*	.			trans	-131.9	114.8	178.9	-173.4	14.6	0	0	0	109.4	T190	D123-T190 WeakPolarHBondContact OD1-CG2 3.34Å
124	M	97.7	Very high	97.3	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.059	32%	0.317	C	S	.	.			trans	-103.9	143.1	178.5	-61.9	-178	-79.3	0	0	110.7	L122 S126 H163 A166 V167 Q188 Y215	L122-M124 HydrophobicContact CD1-CE 3.94Å; L122-M124 HydrophobicContact CD1-CG 3.39Å; L122-M124 HydrophobicContact CD1-SD 3.98Å; M124-S126 PolarHBondContact O-N 2.68Å; M124-H163 HydrophobicContact CE-CB 3.46Å; M124-H163 VanDerWaalsContact CE-CB 3.46Å; M124-H163 HydrophobicContact SD-CB 4.12Å; M124-A166 HydrophobicContact SD-CB 4.15Å; M124-V167 HydrophobicContact CE-CB 4.18Å; M124-V167 HydrophobicContact SD-CB 3.8Å; M124-V167 HydrophobicContact SD-CG2 4.35Å; M124-Q188 HydrophobicContact CE-CG 4.08Å; M124-Q188 PolarHBondContact O-OE1 3.09Å; M124-Y215 HydrophobicContact CE-CD2 4.38Å; M124-Y215 HydrophobicContact CE-CE2 3.95Å
125	P	96.8	Very high	97.2	Very high	96 Å²	96	61 Å²	61	62%	0.623	34%	0.339	S	S	*	.			trans	-54.1	137.1	177.6	-25.9	34.3	0	0	0	112.7	L127 H163	P125-L127 VanDerWaalsContact C-N 3.29Å; P125-H163 PolarHBondContact O-NE2 2.69Å
126	S	96.9	Very high	97.1	Very high	40 Å²	40	55.5 Å²	55.5	28%	0.28	31%	0.314	S	S	.	.	S	Bend	trans	-74.2	-21.5	169.2	-57.4	0	0	0	0	112.7	M124 L159 G160	M124-S126 PolarHBondContact O-N 2.68Å; S126-L159 CarbonylContact O-C 3.5Å; S126-L159 WeakPolarHBondContact O-CA 3.37Å; S126-G160 PolarHBondContact O-N 3.09Å
127	L	97.6	Very high	96.9	Very high	89 Å²	89	57.7 Å²	57.7	47%	0.466	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	105.4	174.9	-174.4	68.8	0	0	0	108.8	P125 L149 Y157 L159	P125-L127 VanDerWaalsContact C-N 3.29Å; L127-L149 HydrophobicContact CD1-CD1 3.36Å; L127-Y157 HydrophobicContact CD1-CD1 4.34Å; L127-Y157 HydrophobicContact CD1-CG 4.16Å; L127-Y157 HydrophobicContact CD2-CD1 4.28Å; L127-Y157 HydrophobicContact CG-CD1 3.91Å; L127-Y157 HydrophobicContact CG-CG 4.21Å; L127-L159 HydrophobicContact CD1-CD2 4.32Å
128	C	96.2	Very high	96.7	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.3	-175.2	-61.8	0	0	0	0	110.9	Y157 C158	C128-Y157 CarbonylContact O-C 3.6Å; C128-Y157 VanDerWaalsContact O-CA 3.26Å; C128-Y157 WeakPolarHBondContact O-CA 3.26Å; C128-Y157 WeakPolarHBondContact O-CB 3.43Å; C128-Y157 WeakPolarHBondContact O-CD1 3.5Å; C128-C158 PolarHBondContact N-O 3.45Å; C128-C158 PolarHBondContact O-N 3.26Å
129	S	95.4	Very high	96.6	Very high	39 Å²	39	56 Å²	56	27%	0.273	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.9	173.1	174.3	0	0	0	0	110.5	D131 L132	S129-D131 PolarHBondContact O-N 2.92Å; S129-D131 PolarHBondContact OG-N 2.83Å; S129-L132 PolarHBondContact O-N 3.16Å
130	A	96.7	Very high	96.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-27.3	174	0	0	0	0	0	112.9	L132 W133 K134 W139 D156	A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 2.92Å; A130-W133 PolarHBondContact O-N 3.43Å; A130-W133 VanDerWaalsContact O-N 3.17Å; A130-K134 VanDerWaalsContact O-CG 3.29Å; A130-K134 WeakPolarHBondContact O-CG 3.39Å; A130-K134 PolarHBondContact O-N 3.07Å; A130-W139 HydrophobicContact CB-CD2 4.23Å; A130-W139 HydrophobicContact CB-CE3 3.78Å; A130-W139 HydrophobicContact CB-CH2 3.4Å; A130-W139 VanDerWaalsContact CB-CH2 3.4Å; A130-W139 HydrophobicContact CB-CZ2 3.89Å; A130-W139 HydrophobicContact CB-CZ3 3.35Å; A130-D156 HydrophobicContact CB-CB 3.43Å; A130-D156 VanDerWaalsContact CB-CB 3.43Å; A130-D156 WeakPolarHBondContact CB-O 3.48Å; A130-D156 PolarHBondContact N-O 3.36Å
131	D	96.4	Very high	96.1	Very high	101 Å²	101	62.7 Å²	62.7	54%	0.54	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-41.7	-177.2	-65.3	-22.7	0	0	0	111.4	S129 W133 K134 T135	S129-D131 PolarHBondContact O-N 2.92Å; S129-D131 PolarHBondContact OG-N 2.83Å; D131-W133 VanDerWaalsContact C-N 3.31Å; D131-W133 PolarHBondContact O-N 3.3Å; D131-K134 PolarHBondContact O-N 3.01Å; D131-T135 WeakPolarHBondContact O-CB 3.5Å; D131-T135 PolarHBondContact O-N 2.98Å; D131-T135 PolarHBondContact O-OG1 2.82Å
132	L	95.6	Very high	95.6	Very high	43 Å²	43	59.4 Å²	59.4	23%	0.225	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-44.9	176.1	-64.8	-179.1	0	0	0	111.8	S129 A130 T135 S136 E165 T169 F327	S129-L132 PolarHBondContact O-N 3.16Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 2.92Å; L132-T135 PolarHBondContact O-N 3.32Å; L132-S136 PolarHBondContact O-N 3.08Å; L132-S136 VanDerWaalsContact O-N 3.13Å; L132-E165 HydrophobicContact CB-CB 4.06Å; L132-T169 HydrophobicContact CD2-CG2 4.06Å; L132-T169 WeakPolarHBondContact CD2-OG1 3.22Å; L132-F327 HydrophobicContact CD2-CE1 4.05Å; L132-F327 WeakPolarHBondContact O-CZ 3.41Å
133	W	96.8	Very high	95.4	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.011	32%	0.324	C	S	.	.	H	α-helix	trans	-73.6	-30.6	-179.1	-71.3	75.4	0	0	0	113	A130 D131 S136 E137 R138 W139 M142 L146 C158 P161 T162	A130-W133 PolarHBondContact O-N 3.43Å; A130-W133 VanDerWaalsContact O-N 3.17Å; D131-W133 VanDerWaalsContact C-N 3.31Å; D131-W133 PolarHBondContact O-N 3.3Å; W133-S136 PolarHBondContact O-OG 3.34Å; W133-E137 PolarHBondContact O-N 2.77Å; W133-R138 HydrophobicContact CE3-CB 4Å; W133-R138 HydrophobicContact CZ3-CB 4.35Å; W133-R138 PolarHBondContact O-N 3.36Å; W133-W139 HydrophobicContact CB-CB 3.98Å; W133-W139 HydrophobicContact CB-CE3 3.77Å; W133-W139 HydrophobicContact CG-CE3 4.34Å; W133-W139 PolarHBondContact O-N 2.94Å; W133-M142 HydrophobicContact CE3-CG 4.41Å; W133-M142 HydrophobicContact CZ3-CG 3.96Å; W133-M142 HydrophobicContact CZ3-SD 4.12Å; W133-L146 HydrophobicContact CE3-CD2 4.39Å; W133-L146 HydrophobicContact CZ3-CD1 4.4Å; W133-C158 VanDerWaalsContact CD1-SG 3.59Å; W133-C158 PolarHBondContact NE1-SG 3.11Å; W133-C158 VanDerWaalsContact NE1-SG 3.37Å; W133-P161 HydrophobicContact CH2-CG 3.4Å; W133-P161 HydrophobicContact CZ2-CG 4.05Å; W133-P161 HydrophobicContact CZ3-CG 4.04Å; W133-T162 HydrophobicContact CH2-CG2 3.99Å
134	K	96.7	Very high	95.2	Very high	89 Å²	89	61.7 Å²	61.7	39%	0.387	33%	0.33	S	S	.	.	H	α-helix	trans	-69.8	-40.2	172.5	-71.2	167.9	-175.4	169.3	0	110.2	A130 D131 S136 E137 W139 D156	A130-K134 VanDerWaalsContact O-CG 3.29Å; A130-K134 WeakPolarHBondContact O-CG 3.39Å; A130-K134 PolarHBondContact O-N 3.07Å; D131-K134 PolarHBondContact O-N 3.01Å; K134-S136 VanDerWaalsContact C-N 3.33Å; K134-S136 PolarHBondContact O-N 3.2Å; K134-E137 WeakPolarHBondContact O-CA 3.37Å; K134-E137 PolarHBondContact O-N 2.86Å; K134-W139 HydrophobicContact CG-CB 3.84Å; K134-W139 HydrophobicContact CG-CD2 4.47Å; K134-W139 HydrophobicContact CG-CG 3.9Å; K134-D156 IonicContact NZ-OD2 2.74Å
135	T	96.4	Very high	95	Very high	75 Å²	75	65.4 Å²	65.4	46%	0.46	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-37.4	176	-60.9	0	0	0	0	112.3	D131 L132 E137 I326 F327	D131-T135 WeakPolarHBondContact O-CB 3.5Å; D131-T135 PolarHBondContact O-N 2.98Å; D131-T135 PolarHBondContact O-OG1 2.82Å; L132-T135 PolarHBondContact O-N 3.32Å; T135-E137 PolarHBondContact O-N 3.2Å; T135-I326 HydrophobicContact CG2-CG2 3.66Å; T135-I326 WeakPolarHBondContact O-CG2 3.49Å; T135-F327 HydrophobicContact CG2-CD1 4.3Å; T135-F327 HydrophobicContact CG2-CE1 3.78Å; T135-F327 HydrophobicContact CG2-CZ 4.13Å
136	S	94.4	Very high	95	Very high	8 Å²	8	61 Å²	61	6%	0.056	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	2.1	173.2	69.5	0	0	0	0	114.3	L132 W133 K134 R138 E165	L132-S136 PolarHBondContact O-N 3.08Å; L132-S136 VanDerWaalsContact O-N 3.13Å; W133-S136 PolarHBondContact O-OG 3.34Å; K134-S136 VanDerWaalsContact C-N 3.33Å; K134-S136 PolarHBondContact O-N 3.2Å; S136-R138 PolarHBondContact O-N 3.37Å; S136-R138 WeakPolarHBondContact OG-CB 3.4Å; S136-E165 WeakPolarHBondContact CB-OE1 3.32Å; S136-E165 VanDerWaalsContact OG-CG 3.28Å; S136-E165 WeakPolarHBondContact OG-CG 3.46Å; S136-E165 PolarHBondContact OG-OE1 2.69Å
137	E	94.6	Very high	95	Very high	151 Å²	151	61.5 Å²	61.5	71%	0.706	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	4.6	-173.5	-54.9	180	173.1	0	0	114.4	W133 K134 T135 W139 L141	W133-E137 PolarHBondContact O-N 2.77Å; K134-E137 WeakPolarHBondContact O-CA 3.37Å; K134-E137 PolarHBondContact O-N 2.86Å; T135-E137 PolarHBondContact O-N 3.2Å; E137-W139 PolarHBondContact O-N 3.48Å; E137-L141 WeakPolarHBondContact O-CD1 3.11Å; E137-L141 WeakPolarHBondContact O-CG 3.47Å
138	R	94.9	Very high	95	Very high	14 Å²	14	61.8 Å²	61.8	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-80.8	-13.7	-177.5	-73.5	-177	55.3	-157.8	8.8	114.3	W133 S136 D140 L141 M142 E164 E165 Y323	W133-R138 HydrophobicContact CE3-CB 4Å; W133-R138 HydrophobicContact CZ3-CB 4.35Å; W133-R138 PolarHBondContact O-N 3.36Å; S136-R138 PolarHBondContact O-N 3.37Å; S136-R138 WeakPolarHBondContact OG-CB 3.4Å; R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 PolarHBondContact O-N 3.09Å; R138-L141 PolarHBondContact O-N 2.71Å; R138-M142 HydrophobicContact CB-CG 4.44Å; R138-M142 WeakPolarHBondContact O-CB 3.41Å; R138-M142 WeakPolarHBondContact O-CG 3.44Å; R138-M142 PolarHBondContact O-N 3.04Å; R138-E164 IonicContact CZ-OE2 3.24Å; R138-E164 IonicContact NH1-OE2 3.32Å; R138-E164 PolarHBondContact NH1-OE2 3.39Å; R138-E164 IonicContact NH2-OE2 3.72Å; R138-E165 VanDerWaalsContact CD-OE1 3.28Å; R138-E165 WeakPolarHBondContact CD-OE1 3.49Å; R138-E165 IonicContact CZ-OE1 3.4Å; R138-E165 IonicContact NE-OE1 3.57Å; R138-E165 IonicContact NH1-OE1 3.72Å; R138-E165 PolarHBondContact NH1-OE1 2.7Å; R138-E165 IonicContact NH1-OE2 2.88Å; R138-E165 PolarHBondContact NH1-OE2 2.8Å; R138-Y323 WeakPolarHBondContact CD-OH 3.11Å; R138-Y323 PolarHBondContact NH1-OH 3.15Å; R138-Y323 VanDerWaalsContact NH1-OH 3.15Å
139	W	95.4	Very high	95	Very high	20 Å²	20	64.4 Å²	64.4	8%	0.076	32%	0.323	C	S	.	.	H	α-helix	trans	-54.1	-48.4	179.4	-179.5	-99.7	0	0	0	112.4	A130 W133 K134 E137 L146 R148 D156 C158	A130-W139 HydrophobicContact CB-CD2 4.23Å; A130-W139 HydrophobicContact CB-CE3 3.78Å; A130-W139 HydrophobicContact CB-CH2 3.4Å; A130-W139 VanDerWaalsContact CB-CH2 3.4Å; A130-W139 HydrophobicContact CB-CZ2 3.89Å; A130-W139 HydrophobicContact CB-CZ3 3.35Å; W133-W139 HydrophobicContact CB-CB 3.98Å; W133-W139 HydrophobicContact CB-CE3 3.77Å; W133-W139 HydrophobicContact CG-CE3 4.34Å; W133-W139 PolarHBondContact O-N 2.94Å; K134-W139 HydrophobicContact CG-CB 3.84Å; K134-W139 HydrophobicContact CG-CD2 4.47Å; K134-W139 HydrophobicContact CG-CG 3.9Å; E137-W139 PolarHBondContact O-N 3.48Å; W139-L146 HydrophobicContact CD2-CD2 4.32Å; W139-L146 HydrophobicContact CE3-CD2 3.75Å; W139-L146 HydrophobicContact CZ3-CD2 4.06Å; W139-R148 HydrophobicContact CH2-CB 4.11Å; W139-R148 HydrophobicContact CH2-CG 3.63Å; W139-R148 HydrophobicContact CZ2-CB 4.24Å; W139-R148 HydrophobicContact CZ2-CG 3.67Å; W139-R148 HydrophobicContact CZ3-CG 4.26Å; W139-R148 PolarHBondContact O-NH2 3.39Å; W139-D156 HydrophobicContact CH2-CB 4.29Å; W139-D156 HydrophobicContact CZ2-CB 4.3Å; W139-C158 HydrophobicContact CH2-CB 4.38Å; W139-C158 HydrophobicContact CZ3-CB 3.75Å
140	D	93.4	Very high	95.1	Very high	125 Å²	125	69 Å²	69	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-87.8	-34.9	-179.6	-64.6	-54.6	0	0	0	112.2	R138 M142 G143	R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 PolarHBondContact O-N 3.09Å; D140-M142 PolarHBondContact O-N 3.25Å; D140-G143 PolarHBondContact O-N 2.97Å
141	L	92.1	Very high	95.1	Very high	126 Å²	126	71.6 Å²	71.6	66%	0.66	35%	0.352	S	S	*	.	H	α-helix	trans	-58.5	-34.9	177.9	-68.7	172.3	0	0	0	112.9	E137 R138 G143	E137-L141 WeakPolarHBondContact O-CD1 3.11Å; E137-L141 WeakPolarHBondContact O-CG 3.47Å; R138-L141 PolarHBondContact O-N 2.71Å; L141-G143 PolarHBondContact O-N 3.37Å
142	M	89.5	Confident	95.2	Very high	31 Å²	31	77.6 Å²	77.6	15%	0.153	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.7	177.7	-72.9	-95.6	34.3	0	0	113.6	W133 R138 D140 K144 E145 L146 P161	W133-M142 HydrophobicContact CE3-CG 4.41Å; W133-M142 HydrophobicContact CZ3-CG 3.96Å; W133-M142 HydrophobicContact CZ3-SD 4.12Å; R138-M142 HydrophobicContact CB-CG 4.44Å; R138-M142 WeakPolarHBondContact O-CB 3.41Å; R138-M142 WeakPolarHBondContact O-CG 3.44Å; R138-M142 PolarHBondContact O-N 3.04Å; D140-M142 PolarHBondContact O-N 3.25Å; M142-K144 PolarHBondContact O-N 2.86Å; M142-E145 HydrophobicContact CE-CB 4.38Å; M142-E145 PolarHBondContact O-N 3.09Å; M142-L146 HydrophobicContact CB-CB 3.88Å; M142-L146 HydrophobicContact CB-CD2 4.34Å; M142-P161 HydrophobicContact SD-CG 4.47Å
143	G	92	Very high	95.2	Very high	32 Å²	32	83 Å²	83	33%	0.33	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	55.7	-134	170.2	0	0	0	0	0	112.7	D140 L141 R148	D140-G143 PolarHBondContact O-N 2.97Å; L141-G143 PolarHBondContact O-N 3.37Å; G143-R148 VanDerWaalsContact O-CZ 3.27Å; G143-R148 PolarHBondContact O-NH1 3.47Å; G143-R148 PolarHBondContact O-NH2 2.86Å
144	K	93.1	Very high	95.2	Very high	192 Å²	192	84.7 Å²	84.7	84%	0.835	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-82.6	-11.6	-175.9	-65.3	-178	-178.9	177.8	0	114	M142 L146	M142-K144 PolarHBondContact O-N 2.86Å; K144-L146 VanDerWaalsContact C-N 3.26Å; K144-L146 PolarHBondContact O-N 2.91Å
145	E	93.9	Very high	95.2	Very high	91 Å²	91	82.5 Å²	82.5	43%	0.425	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-75.1	-19.5	179.8	-63.3	-174.5	-177.1	0	0	112.5	M142 D195	M142-E145 HydrophobicContact CE-CB 4.38Å; M142-E145 PolarHBondContact O-N 3.09Å; E145-D195 PolarHBondContact O-N 3.37Å
146	L	96.6	Very high	95.3	Very high	4 Å²	4	81.3 Å²	81.3	2%	0.021	40%	0.398	C	S	.	.	S	Bend	trans	-83.8	115	176.3	-172.4	66.1	0	0	0	110.9	W133 W139 M142 K144 R148 C158 P161	W133-L146 HydrophobicContact CE3-CD2 4.39Å; W133-L146 HydrophobicContact CZ3-CD1 4.4Å; W139-L146 HydrophobicContact CD2-CD2 4.32Å; W139-L146 HydrophobicContact CE3-CD2 3.75Å; W139-L146 HydrophobicContact CZ3-CD2 4.06Å; M142-L146 HydrophobicContact CB-CB 3.88Å; M142-L146 HydrophobicContact CB-CD2 4.34Å; K144-L146 VanDerWaalsContact C-N 3.26Å; K144-L146 PolarHBondContact O-N 2.91Å; L146-R148 HydrophobicContact CD2-CG 4.3Å; L146-R148 HydrophobicContact CG-CG 4.29Å; L146-R148 PolarHBondContact O-N 3.17Å; L146-R148 PolarHBondContact O-NH1 2.86Å; L146-C158 HydrophobicContact CD1-CB 3.71Å; L146-C158 HydrophobicContact CD2-CB 4.1Å; L146-C158 HydrophobicContact CG-CB 3.88Å; L146-P161 HydrophobicContact CD1-CG 3.77Å
147	F	97.3	Very high	95.4	Very high	49 Å²	49	84.2 Å²	84.2	22%	0.215	41%	0.408	C	S	.	.			trans	-66.3	114.6	167.5	-75.5	-69.4	0	0	0	110.1	C158 L159 F193 D195 R207	F147-C158 WeakPolarHBondContact O-CA 3.17Å; F147-C158 WeakPolarHBondContact O-CB 3.44Å; F147-L159 HydrophobicContact CB-CB 4.09Å; F147-L159 HydrophobicContact CB-CD1 4.14Å; F147-L159 HydrophobicContact CB-CG 4.26Å; F147-L159 HydrophobicContact CG-CD1 4.42Å; F147-L159 PolarHBondContact O-N 3.31Å; F147-L159 VanDerWaalsContact O-N 3.08Å; F147-F193 HydrophobicContact CD2-CB 3.79Å; F147-F193 HydrophobicContact CE2-CB 4.25Å; F147-D195 HydrophobicContact CD1-CB 4.09Å; F147-D195 HydrophobicContact CD2-CB 4.12Å; F147-D195 HydrophobicContact CE1-CB 3.63Å; F147-D195 WeakPolarHBondContact CE1-OD1 3.44Å; F147-D195 HydrophobicContact CE2-CB 3.7Å; F147-D195 HydrophobicContact CG-CB 4.33Å; F147-D195 HydrophobicContact CZ-CB 3.43Å; F147-D195 VanDerWaalsContact CZ-CB 3.43Å; F147-D195 VanDerWaalsContact CZ-CG 3.44Å; F147-D195 VanDerWaalsContact CZ-OD1 3.24Å; F147-D195 WeakPolarHBondContact CZ-OD1 3.45Å; F147-R207 HydrophobicContact CE2-CB 4.49Å
148	R	97.5	Very high	95.6	Very high	96 Å²	96	77 Å²	77	36%	0.362	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141	176.6	-62.2	177.7	-174.3	83.8	-4.2	110.2	W139 G143 L146 Y157	W139-R148 HydrophobicContact CH2-CB 4.11Å; W139-R148 HydrophobicContact CH2-CG 3.63Å; W139-R148 HydrophobicContact CZ2-CB 4.24Å; W139-R148 HydrophobicContact CZ2-CG 3.67Å; W139-R148 HydrophobicContact CZ3-CG 4.26Å; W139-R148 PolarHBondContact O-NH2 3.39Å; G143-R148 VanDerWaalsContact O-CZ 3.27Å; G143-R148 PolarHBondContact O-NH1 3.47Å; G143-R148 PolarHBondContact O-NH2 2.86Å; L146-R148 HydrophobicContact CD2-CG 4.3Å; L146-R148 HydrophobicContact CG-CG 4.29Å; L146-R148 PolarHBondContact O-N 3.17Å; L146-R148 PolarHBondContact O-NH1 2.86Å; R148-Y157 WeakPolarHBondContact CA-O 3.29Å
149	L	97.2	Very high	95.8	Very high	64 Å²	64	78.2 Å²	78.2	34%	0.335	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.7	-174.6	-45.3	168.7	0	0	0	108.6	L127 Y157 L159	L127-L149 HydrophobicContact CD1-CD1 3.36Å; L149-Y157 PolarHBondContact N-O 3.45Å; L149-Y157 PolarHBondContact O-N 3.3Å; L149-L159 HydrophobicContact CD1-CD2 3.68Å; L149-L159 HydrophobicContact CD1-CG 3.78Å; L149-L159 HydrophobicContact CG-CG 4.41Å
150	K	97.4	Very high	95.8	Very high	136 Å²	136	77.2 Å²	77.2	59%	0.591	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.4	165.2	-75.2	-174.8	172.4	-65.3	0	109.2	G154 A155 D156	K150-G154 PolarHBondContact NZ-O 2.97Å; K150-A155 VanDerWaalsContact CA-O 3.31Å; K150-A155 WeakPolarHBondContact CA-O 3.46Å; K150-D156 WeakPolarHBondContact CE-OD1 3.4Å; K150-D156 WeakPolarHBondContact CG-OD1 3.42Å; K150-D156 VanDerWaalsContact NZ-CG 3.3Å; K150-D156 IonicContact NZ-OD1 3.82Å; K150-D156 PolarHBondContact NZ-OD1 2.98Å; K150-D156 IonicContact NZ-OD2 3.34Å; K150-D156 PolarHBondContact NZ-OD2 2.9Å
151	D	96.8	Very high	96	Very high	53 Å²	53	71.5 Å²	71.5	28%	0.283	35%	0.348	S	S	.	.			trans	-76.5	-179	171.5	83.6	-11.4	0	0	0	111.4	H153 G154 A155 Y157	D151-H153 PolarHBondContact O-N 3.21Å; D151-H153 VanDerWaalsContact OD1-C 3.27Å; D151-H153 VanDerWaalsContact OD1-CA 3.3Å; D151-H153 WeakPolarHBondContact OD1-CA 3.37Å; D151-H153 WeakPolarHBondContact OD1-CB 3.39Å; D151-H153 PolarHBondContact OD1-N 3.47Å; D151-H153 IonicContact OD2-CD2 2.69Å; D151-G154 PolarHBondContact O-N 3.46Å; D151-G154 VanDerWaalsContact O-N 3.13Å; D151-G154 PolarHBondContact OD1-N 3.34Å; D151-A155 PolarHBondContact N-O 3.04Å; D151-A155 PolarHBondContact OD1-N 3.48Å; D151-Y157 HydrophobicContact CB-CD2 4.13Å; D151-Y157 HydrophobicContact CB-CE2 3.75Å
152	R	97.3	Very high	96.2	Very high	228 Å²	228	66 Å²	66	86%	0.86	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.2	179.7	75.2	-175.7	-49.3	175.9	7.5	114.5
153	H	97.1	Very high	96.6	Very high	157 Å²	157	64.6 Å²	64.6	73%	0.727	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	0.8	177.8	-59.8	-67	0	0	0	111.9	D151	D151-H153 PolarHBondContact O-N 3.21Å; D151-H153 VanDerWaalsContact OD1-C 3.27Å; D151-H153 VanDerWaalsContact OD1-CA 3.3Å; D151-H153 WeakPolarHBondContact OD1-CA 3.37Å; D151-H153 WeakPolarHBondContact OD1-CB 3.39Å; D151-H153 PolarHBondContact OD1-N 3.47Å; D151-H153 IonicContact OD2-CD2 2.69Å
154	G	95.8	Very high	96.9	Very high	38 Å²	38	63.2 Å²	63.2	39%	0.392	30%	0.298	S	S	.	.			trans	85.2	3.8	179.5	0	0	0	0	0	114.5	K150 D151	K150-G154 PolarHBondContact NZ-O 2.97Å; D151-G154 PolarHBondContact O-N 3.46Å; D151-G154 VanDerWaalsContact O-N 3.13Å; D151-G154 PolarHBondContact OD1-N 3.34Å
155	A	96.9	Very high	97.1	Very high	42 Å²	42	54.1 Å²	54.1	35%	0.347	26%	0.258	S	S	.	.			trans	-69.3	139.1	176.7	0	0	0	0	0	110.7	K150 D151 Y157	K150-A155 VanDerWaalsContact CA-O 3.31Å; K150-A155 WeakPolarHBondContact CA-O 3.46Å; D151-A155 PolarHBondContact N-O 3.04Å; D151-A155 PolarHBondContact OD1-N 3.48Å; A155-Y157 HydrophobicContact CB-CE2 3.76Å; A155-Y157 WeakPolarHBondContact O-CD2 3.22Å
156	D	97.8	Very high	97.3	Very high	51 Å²	51	50.9 Å²	50.9	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.5	-176.5	-71.2	-55.8	0	0	0	111.6	A130 K134 W139 K150	A130-D156 HydrophobicContact CB-CB 3.43Å; A130-D156 VanDerWaalsContact CB-CB 3.43Å; A130-D156 WeakPolarHBondContact CB-O 3.48Å; A130-D156 PolarHBondContact N-O 3.36Å; K134-D156 IonicContact NZ-OD2 2.74Å; W139-D156 HydrophobicContact CH2-CB 4.29Å; W139-D156 HydrophobicContact CZ2-CB 4.3Å; K150-D156 WeakPolarHBondContact CE-OD1 3.4Å; K150-D156 WeakPolarHBondContact CG-OD1 3.42Å; K150-D156 VanDerWaalsContact NZ-CG 3.3Å; K150-D156 IonicContact NZ-OD1 3.82Å; K150-D156 PolarHBondContact NZ-OD1 2.98Å; K150-D156 IonicContact NZ-OD2 3.34Å; K150-D156 PolarHBondContact NZ-OD2 2.9Å
157	Y	98.1	Very high	97.4	Very high	68 Å²	68	50.7 Å²	50.7	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	163.9	175.3	-66	-91.1	0	0	0	110.5	L127 C128 R148 L149 D151 A155	L127-Y157 HydrophobicContact CD1-CD1 4.34Å; L127-Y157 HydrophobicContact CD1-CG 4.16Å; L127-Y157 HydrophobicContact CD2-CD1 4.28Å; L127-Y157 HydrophobicContact CG-CD1 3.91Å; L127-Y157 HydrophobicContact CG-CG 4.21Å; C128-Y157 CarbonylContact O-C 3.6Å; C128-Y157 VanDerWaalsContact O-CA 3.26Å; C128-Y157 WeakPolarHBondContact O-CA 3.26Å; C128-Y157 WeakPolarHBondContact O-CB 3.43Å; C128-Y157 WeakPolarHBondContact O-CD1 3.5Å; R148-Y157 WeakPolarHBondContact CA-O 3.29Å; L149-Y157 PolarHBondContact N-O 3.45Å; L149-Y157 PolarHBondContact O-N 3.3Å; D151-Y157 HydrophobicContact CB-CD2 4.13Å; D151-Y157 HydrophobicContact CB-CE2 3.75Å; A155-Y157 HydrophobicContact CB-CE2 3.76Å; A155-Y157 WeakPolarHBondContact O-CD2 3.22Å
158	C	97.9	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158	163.8	60.6	0	0	0	0	111.5	C128 W133 W139 L146 F147	C128-C158 PolarHBondContact N-O 3.45Å; C128-C158 PolarHBondContact O-N 3.26Å; W133-C158 VanDerWaalsContact CD1-SG 3.59Å; W133-C158 PolarHBondContact NE1-SG 3.11Å; W133-C158 VanDerWaalsContact NE1-SG 3.37Å; W139-C158 HydrophobicContact CH2-CB 4.38Å; W139-C158 HydrophobicContact CZ3-CB 3.75Å; L146-C158 HydrophobicContact CD1-CB 3.71Å; L146-C158 HydrophobicContact CD2-CB 4.1Å; L146-C158 HydrophobicContact CG-CB 3.88Å; F147-C158 WeakPolarHBondContact O-CA 3.17Å; F147-C158 WeakPolarHBondContact O-CB 3.44Å
159	L	98.1	Very high	97.4	Very high	39 Å²	39	45 Å²	45	20%	0.204	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.1	162.7	-61.5	176.9	0	0	0	108	S126 L127 F147 L149 P161 F193	S126-L159 CarbonylContact O-C 3.5Å; S126-L159 WeakPolarHBondContact O-CA 3.37Å; L127-L159 HydrophobicContact CD1-CD2 4.32Å; F147-L159 HydrophobicContact CB-CB 4.09Å; F147-L159 HydrophobicContact CB-CD1 4.14Å; F147-L159 HydrophobicContact CB-CG 4.26Å; F147-L159 HydrophobicContact CG-CD1 4.42Å; F147-L159 PolarHBondContact O-N 3.31Å; F147-L159 VanDerWaalsContact O-N 3.08Å; L149-L159 HydrophobicContact CD1-CD2 3.68Å; L149-L159 HydrophobicContact CD1-CG 3.78Å; L149-L159 HydrophobicContact CG-CG 4.41Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å; L159-F193 HydrophobicContact CB-CB 3.65Å; L159-F193 HydrophobicContact CB-CD2 3.71Å; L159-F193 HydrophobicContact CB-CG 3.72Å; L159-F193 HydrophobicContact CD1-CB 4.23Å; L159-F193 HydrophobicContact CD1-CD1 3.89Å; L159-F193 HydrophobicContact CD1-CD2 4.38Å; L159-F193 HydrophobicContact CD1-CE1 4.33Å; L159-F193 HydrophobicContact CD1-CG 3.91Å; L159-F193 HydrophobicContact CG-CD2 4.46Å; L159-F193 HydrophobicContact CG-CG 4.37Å
160	G	97.1	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.			trans	-59.1	115.1	-173	0	0	0	0	0	113	S126 T162 K192 F193	S126-G160 PolarHBondContact O-N 3.09Å; G160-T162 VanDerWaalsContact C-N 3.31Å; G160-K192 WeakPolarHBondContact O-CA 3.2Å; G160-F193 PolarHBondContact O-N 2.92Å
161	P	97	Very high	97.4	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.026	21%	0.207	C	C	.	.	S	Bend	trans	-80.2	-18.6	168.9	33.6	-34.6	0	0	0	112.3	W133 M142 L146 L159 F193 R194	W133-P161 HydrophobicContact CH2-CG 3.4Å; W133-P161 HydrophobicContact CZ2-CG 4.05Å; W133-P161 HydrophobicContact CZ3-CG 4.04Å; M142-P161 HydrophobicContact SD-CG 4.47Å; L146-P161 HydrophobicContact CD1-CG 3.77Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-F193 VanDerWaalsContact CA-O 3.29Å; P161-F193 WeakPolarHBondContact CA-O 3.34Å; P161-F193 VanDerWaalsContact CB-O 3.28Å; P161-F193 WeakPolarHBondContact CB-O 3.44Å; P161-R194 HydrophobicContact CB-CG 3.8Å; P161-R194 PolarHBondContact O-NE 3.01Å; P161-R194 PolarHBondContact O-NH2 2.72Å
162	T	96.8	Very high	97.4	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.067	20%	0.203	C	C	.	.			trans	-169.2	178.8	177.6	-177.4	0	0	0	0	107.7	W133 G160 E164 Y215	W133-T162 HydrophobicContact CH2-CG2 3.99Å; G160-T162 VanDerWaalsContact C-N 3.31Å; T162-E164 WeakPolarHBondContact CB-OE2 3.29Å; T162-E164 WeakPolarHBondContact CG2-OE2 3.21Å; T162-E164 PolarHBondContact OG1-OE1 3.06Å; T162-E164 PolarHBondContact OG1-OE2 2.98Å; T162-Y215 PolarHBondContact OG1-OH 3.35Å
163	H	98.1	Very high	97.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	19%	0.194	C	C	.	.			trans	-136.6	23.3	-167.2	-73	77.9	0	0	0	115.2	M124 P125 E165 A166 V167 Q188 K192 D213 Y215	M124-H163 HydrophobicContact CE-CB 3.46Å; M124-H163 VanDerWaalsContact CE-CB 3.46Å; M124-H163 HydrophobicContact SD-CB 4.12Å; P125-H163 PolarHBondContact O-NE2 2.69Å; H163-E165 VanDerWaalsContact C-N 3.32Å; H163-E165 PolarHBondContact O-N 3.39Å; H163-A166 HydrophobicContact CB-CB 4.41Å; H163-A166 PolarHBondContact O-N 3.2Å; H163-V167 WeakPolarHBondContact O-CG1 3.46Å; H163-V167 PolarHBondContact O-N 3.43Å; H163-V167 VanDerWaalsContact O-N 3.09Å; H163-Q188 PolarHBondContact CE1-NE2 3.36Å; H163-Q188 VanDerWaalsContact CG-NE2 3.29Å; H163-Q188 PolarHBondContact ND1-NE2 3.41Å; H163-Q188 VanDerWaalsContact ND1-NE2 3.1Å; H163-K192 VanDerWaalsContact ND1-CE 3.28Å; H163-K192 WeakPolarHBondContact ND1-CE 3.31Å; H163-D213 IonicContact CG-OD2 3.13Å; H163-D213 IonicContact ND1-OD2 2.69Å; H163-Y215 WeakPolarHBondContact CA-OH 3.03Å; H163-Y215 HydrophobicContact CB-CE2 4.08Å; H163-Y215 PolarHBondContact N-OH 2.74Å
164	E	98	Very high	97.2	Very high	3 Å²	3	31 Å²	31	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-55.2	-45.2	178.9	-66.1	76.5	-161.6	0	0	112.2	R138 T162 V167 T168 Y215 L319 Y323	R138-E164 IonicContact CZ-OE2 3.24Å; R138-E164 IonicContact NH1-OE2 3.32Å; R138-E164 PolarHBondContact NH1-OE2 3.39Å; R138-E164 IonicContact NH2-OE2 3.72Å; T162-E164 WeakPolarHBondContact CB-OE2 3.29Å; T162-E164 WeakPolarHBondContact CG2-OE2 3.21Å; T162-E164 PolarHBondContact OG1-OE1 3.06Å; T162-E164 PolarHBondContact OG1-OE2 2.98Å; E164-V167 WeakPolarHBondContact O-CG1 3.49Å; E164-T168 VanDerWaalsContact O-CB 3.31Å; E164-T168 WeakPolarHBondContact O-CB 3.42Å; E164-T168 PolarHBondContact O-N 2.98Å; E164-T168 VanDerWaalsContact O-N 3.16Å; E164-T168 PolarHBondContact O-OG1 3.12Å; E164-Y215 HydrophobicContact CB-CE1 4.37Å; E164-Y215 HydrophobicContact CG-CD1 4.43Å; E164-Y215 HydrophobicContact CG-CE1 3.78Å; E164-L319 HydrophobicContact CG-CD1 4.22Å; E164-Y323 HydrophobicContact CB-CD1 3.85Å; E164-Y323 HydrophobicContact CB-CD2 4.08Å; E164-Y323 HydrophobicContact CB-CE1 3.65Å; E164-Y323 HydrophobicContact CB-CE2 3.89Å; E164-Y323 HydrophobicContact CB-CG 4.06Å; E164-Y323 HydrophobicContact CG-CD2 4.3Å; E164-Y323 HydrophobicContact CG-CE1 4.3Å; E164-Y323 HydrophobicContact CG-CE2 3.79Å
165	E	97.7	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-42.9	-179.3	-63.9	79.6	-177.1	0	0	111.9	L132 S136 R138 H163 T169 F327	L132-E165 HydrophobicContact CB-CB 4.06Å; S136-E165 WeakPolarHBondContact CB-OE1 3.32Å; S136-E165 VanDerWaalsContact OG-CG 3.28Å; S136-E165 WeakPolarHBondContact OG-CG 3.46Å; S136-E165 PolarHBondContact OG-OE1 2.69Å; R138-E165 VanDerWaalsContact CD-OE1 3.28Å; R138-E165 WeakPolarHBondContact CD-OE1 3.49Å; R138-E165 IonicContact CZ-OE1 3.4Å; R138-E165 IonicContact NE-OE1 3.57Å; R138-E165 IonicContact NH1-OE1 3.72Å; R138-E165 PolarHBondContact NH1-OE1 2.7Å; R138-E165 IonicContact NH1-OE2 2.88Å; R138-E165 PolarHBondContact NH1-OE2 2.8Å; H163-E165 VanDerWaalsContact C-N 3.32Å; H163-E165 PolarHBondContact O-N 3.39Å; E165-T169 VanDerWaalsContact O-CB 3.26Å; E165-T169 WeakPolarHBondContact O-CB 3.35Å; E165-T169 PolarHBondContact O-N 3.3Å; E165-T169 PolarHBondContact O-OG1 3.44Å; E165-F327 HydrophobicContact CB-CE2 4.01Å; E165-F327 HydrophobicContact CB-CZ 3.74Å; E165-F327 HydrophobicContact CG-CE2 3.9Å; E165-F327 HydrophobicContact CG-CZ 3.76Å
166	A	97.5	Very high	96.4	Very high	23 Å²	23	38.9 Å²	38.9	19%	0.19	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-47.6	-175.1	0	0	0	0	0	111.6	M124 H163 T169 L170	M124-A166 HydrophobicContact SD-CB 4.15Å; H163-A166 HydrophobicContact CB-CB 4.41Å; H163-A166 PolarHBondContact O-N 3.2Å; A166-T169 PolarHBondContact O-N 2.79Å; A166-L170 PolarHBondContact O-N 2.86Å
167	V	98.2	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.1	-38.1	-179.9	71.7	0	0	0	0	111.8	M124 H163 E164 T169 L170 V171 L186 Y215 F217	M124-V167 HydrophobicContact CE-CB 4.18Å; M124-V167 HydrophobicContact SD-CB 3.8Å; M124-V167 HydrophobicContact SD-CG2 4.35Å; H163-V167 WeakPolarHBondContact O-CG1 3.46Å; H163-V167 PolarHBondContact O-N 3.43Å; H163-V167 VanDerWaalsContact O-N 3.09Å; E164-V167 WeakPolarHBondContact O-CG1 3.49Å; V167-T169 VanDerWaalsContact C-N 3.32Å; V167-T169 PolarHBondContact O-N 3.16Å; V167-L170 WeakPolarHBondContact O-CB 3.4Å; V167-L170 PolarHBondContact O-N 3.33Å; V167-V171 PolarHBondContact O-N 3.4Å; V167-L186 HydrophobicContact CG2-CB 4.29Å; V167-L186 HydrophobicContact CG2-CD1 4.07Å; V167-Y215 HydrophobicContact CB-CD2 4.05Å; V167-Y215 HydrophobicContact CB-CG 4.35Å; V167-Y215 HydrophobicContact CG1-CD1 3.93Å; V167-Y215 HydrophobicContact CG1-CD2 3.65Å; V167-Y215 HydrophobicContact CG1-CE1 4.44Å; V167-Y215 HydrophobicContact CG1-CE2 4.17Å; V167-Y215 HydrophobicContact CG1-CG 3.51Å; V167-Y215 HydrophobicContact CG2-CD2 4.14Å; V167-Y215 HydrophobicContact CG2-CG 4.42Å; V167-F217 HydrophobicContact CG1-CZ 4.26Å; V167-F217 HydrophobicContact CG2-CE2 4.09Å; V167-F217 HydrophobicContact CG2-CZ 4.29Å
168	T	98.2	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-43.8	177.4	-52.4	0	0	0	0	110.3	E164 L170 V171 A172 F217 F327 A329 M343	E164-T168 VanDerWaalsContact O-CB 3.31Å; E164-T168 WeakPolarHBondContact O-CB 3.42Å; E164-T168 PolarHBondContact O-N 2.98Å; E164-T168 VanDerWaalsContact O-N 3.16Å; E164-T168 PolarHBondContact O-OG1 3.12Å; T168-L170 VanDerWaalsContact C-N 3.33Å; T168-L170 PolarHBondContact O-N 3.2Å; T168-V171 PolarHBondContact O-N 2.93Å; T168-A172 WeakPolarHBondContact O-CB 3.11Å; T168-A172 PolarHBondContact O-N 3.07Å; T168-F217 HydrophobicContact CG2-CE1 4.4Å; T168-F327 HydrophobicContact CG2-CB 3.74Å; T168-F327 HydrophobicContact CG2-CD2 4.01Å; T168-F327 HydrophobicContact CG2-CG 4.23Å; T168-A329 HydrophobicContact CG2-CB 3.75Å; T168-M343 HydrophobicContact CG2-SD 4.03Å; T168-M343 VanDerWaalsContact OG1-CE 3.3Å; T168-M343 WeakPolarHBondContact OG1-CE 3.32Å
169	T	97.4	Very high	96.2	Very high	25 Å²	25	38.6 Å²	38.6	15%	0.153	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-45.1	175.1	-60.8	0	0	0	0	110.8	L132 E165 A166 V167 V171 A172 H173 F327	L132-T169 HydrophobicContact CD2-CG2 4.06Å; L132-T169 WeakPolarHBondContact CD2-OG1 3.22Å; E165-T169 VanDerWaalsContact O-CB 3.26Å; E165-T169 WeakPolarHBondContact O-CB 3.35Å; E165-T169 PolarHBondContact O-N 3.3Å; E165-T169 PolarHBondContact O-OG1 3.44Å; A166-T169 PolarHBondContact O-N 2.79Å; V167-T169 VanDerWaalsContact C-N 3.32Å; V167-T169 PolarHBondContact O-N 3.16Å; T169-V171 PolarHBondContact O-N 3.39Å; T169-A172 PolarHBondContact O-N 2.78Å; T169-H173 VanDerWaalsContact CG2-CE1 3.46Å; T169-H173 WeakPolarHBondContact CG2-CE1 3.23Å; T169-H173 PolarHBondContact O-N 2.89Å; T169-H173 VanDerWaalsContact O-N 3.15Å; T169-H173 PolarHBondContact O-ND1 3.41Å; T169-F327 WeakPolarHBondContact OG1-CD1 3.23Å; T169-F327 WeakPolarHBondContact OG1-CE1 3.32Å
170	L	97.2	Very high	96.1	Very high	93 Å²	93	46 Å²	46	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-48.1	176.9	175.6	64.6	0	0	0	111.9	L122 A166 V167 T168 H173	L122-L170 HydrophobicContact CD2-CD2 4.14Å; A166-L170 PolarHBondContact O-N 2.86Å; V167-L170 WeakPolarHBondContact O-CB 3.4Å; V167-L170 PolarHBondContact O-N 3.33Å; T168-L170 VanDerWaalsContact C-N 3.33Å; T168-L170 PolarHBondContact O-N 3.2Å; L170-H173 PolarHBondContact O-N 3.02Å
171	V	97.6	Very high	96.1	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-39	178.7	174.1	0	0	0	0	111.4	V167 T168 T169 H173 Q174 L177 L186 F217	V167-V171 PolarHBondContact O-N 3.4Å; T168-V171 PolarHBondContact O-N 2.93Å; T169-V171 PolarHBondContact O-N 3.39Å; V171-H173 PolarHBondContact O-N 2.76Å; V171-Q174 WeakPolarHBondContact O-CB 3.45Å; V171-Q174 PolarHBondContact O-N 3.04Å; V171-L177 HydrophobicContact CG1-CD2 3.87Å; V171-L186 HydrophobicContact CG2-CD1 3.85Å; V171-F217 HydrophobicContact CB-CD1 4.39Å; V171-F217 HydrophobicContact CB-CE1 3.98Å; V171-F217 HydrophobicContact CB-CE2 4.37Å; V171-F217 HydrophobicContact CB-CZ 3.97Å; V171-F217 HydrophobicContact CG1-CD1 4.02Å; V171-F217 HydrophobicContact CG1-CE1 4.1Å; V171-F217 HydrophobicContact CG1-CG 4.3Å; V171-F217 HydrophobicContact CG1-CZ 4.47Å; V171-F217 HydrophobicContact CG2-CD1 4.46Å; V171-F217 HydrophobicContact CG2-CD2 3.97Å; V171-F217 HydrophobicContact CG2-CE1 4.07Å; V171-F217 HydrophobicContact CG2-CE2 3.55Å; V171-F217 HydrophobicContact CG2-CG 4.41Å; V171-F217 HydrophobicContact CG2-CZ 3.59Å
172	A	96.7	Very high	96.1	Very high	25 Å²	25	51.1 Å²	51.1	21%	0.207	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-26.7	177.6	0	0	0	0	0	113.7	T168 T169 Q174 F327 A329	T168-A172 WeakPolarHBondContact O-CB 3.11Å; T168-A172 PolarHBondContact O-N 3.07Å; T169-A172 PolarHBondContact O-N 2.78Å; A172-Q174 PolarHBondContact O-N 3.26Å; A172-F327 WeakPolarHBondContact CB-O 3.15Å; A172-A329 HydrophobicContact CB-CB 4.14Å
173	H	95.6	Very high	96.2	Very high	145 Å²	145	54.1 Å²	54.1	67%	0.671	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.6	173.6	-76.9	83.5	0	0	0	113	T169 L170 V171 T175	T169-H173 VanDerWaalsContact CG2-CE1 3.46Å; T169-H173 WeakPolarHBondContact CG2-CE1 3.23Å; T169-H173 PolarHBondContact O-N 2.89Å; T169-H173 VanDerWaalsContact O-N 3.15Å; T169-H173 PolarHBondContact O-ND1 3.41Å; L170-H173 PolarHBondContact O-N 3.02Å; V171-H173 PolarHBondContact O-N 2.76Å; H173-T175 PolarHBondContact O-N 3.16Å; H173-T175 VanDerWaalsContact O-N 3.11Å
174	Q	93.1	Very high	96.2	Very high	75 Å²	75	55.1 Å²	55.1	35%	0.35	29%	0.287	S	S	.	.			trans	-83.7	81.8	176.2	-169.9	177.4	-38.3	0	0	110.9	V171 A172 T176 L177	V171-Q174 WeakPolarHBondContact O-CB 3.45Å; V171-Q174 PolarHBondContact O-N 3.04Å; A172-Q174 PolarHBondContact O-N 3.26Å; Q174-T176 PolarHBondContact O-N 2.87Å; Q174-L177 HydrophobicContact CG-CB 4.34Å; Q174-L177 WeakPolarHBondContact O-CB 3.36Å; Q174-L177 PolarHBondContact O-N 3.35Å
175	T	86.6	Confident	96.2	Very high	129 Å²	129	55.5 Å²	55.5	79%	0.791	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.5	-175.2	60.9	0	0	0	0	115	H173	H173-T175 PolarHBondContact O-N 3.16Å; H173-T175 VanDerWaalsContact O-N 3.11Å
176	T	90.9	Very high	96.3	Very high	116 Å²	116	56.4 Å²	56.4	71%	0.712	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	17.5	-178	62.4	0	0	0	0	113.2	Q174 S178	Q174-T176 PolarHBondContact O-N 2.87Å; T176-S178 PolarHBondContact O-N 2.84Å
177	L	95.3	Very high	96.3	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.285	C	S	.	.			trans	-61.9	125.1	179.2	-173.3	64.3	0	0	0	110.5	V171 Q174 Q181 L182 L184 F331 S332	V171-L177 HydrophobicContact CG1-CD2 3.87Å; Q174-L177 HydrophobicContact CG-CB 4.34Å; Q174-L177 WeakPolarHBondContact O-CB 3.36Å; Q174-L177 PolarHBondContact O-N 3.35Å; L177-Q181 HydrophobicContact CD1-CB 3.95Å; L177-L182 HydrophobicContact CD2-CD2 4.3Å; L177-L184 HydrophobicContact CD1-CD1 3.96Å; L177-L184 HydrophobicContact CD2-CD1 4.43Å; L177-F331 HydrophobicContact CB-CB 4.26Å; L177-F331 HydrophobicContact CD2-CB 4.11Å; L177-F331 HydrophobicContact CG-CB 3.96Å; L177-F331 CarbonylContact O-C 3.52Å; L177-F331 VanDerWaalsContact O-CA 3.24Å; L177-F331 WeakPolarHBondContact O-CA 3.26Å; L177-F331 WeakPolarHBondContact O-CB 3.49Å; L177-S332 PolarHBondContact O-N 3.41Å
178	S	96.6	Very high	96.3	Very high	31 Å²	31	55.3 Å²	55.3	22%	0.217	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-106	150.3	178.5	-178.9	0	0	0	0	111	T176 R180 Q181	T176-S178 PolarHBondContact O-N 2.84Å; S178-R180 PolarHBondContact O-N 3.46Å; S178-Q181 WeakPolarHBondContact O-CB 3.2Å; S178-Q181 PolarHBondContact O-N 2.86Å
179	Y	96.8	Very high	96.4	Very high	80 Å²	80	56.1 Å²	56.1	31%	0.314	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-52.7	-25.8	173.3	79.1	-82.6	0	0	0	113.6	Q181 L182 S332 H334	Y179-Q181 PolarHBondContact O-N 2.82Å; Y179-L182 PolarHBondContact O-N 3.3Å; Y179-S332 WeakPolarHBondContact CD1-O 3.45Å; Y179-S332 PolarHBondContact N-O 3.38Å; Y179-H334 HydrophobicContact CE1-CB 4.33Å
180	R	96.7	Very high	96.4	Very high	196 Å²	196	55.7 Å²	55.7	74%	0.74	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-70.3	-15.4	177.8	-60.7	-176.1	-178.4	-179.4	0.4	114.3	S178	S178-R180 PolarHBondContact O-N 3.46Å
181	Q	96.8	Very high	96.4	Very high	90 Å²	90	56.1 Å²	56.1	42%	0.421	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-94.4	-7.7	178.6	-61	176.8	-90.7	0	0	112.3	L177 S178 Y179 L184	L177-Q181 HydrophobicContact CD1-CB 3.95Å; S178-Q181 WeakPolarHBondContact O-CB 3.2Å; S178-Q181 PolarHBondContact O-N 2.86Å; Y179-Q181 PolarHBondContact O-N 2.82Å; Q181-L184 WeakPolarHBondContact O-CD2 3.29Å
182	L	96.9	Very high	96.4	Very high	21 Å²	21	55.8 Å²	55.8	11%	0.11	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-97	145.8	179.6	-64	170.8	0	0	0	109.5	L177 Y179 L184 F217 V219 F331	L177-L182 HydrophobicContact CD2-CD2 4.3Å; Y179-L182 PolarHBondContact O-N 3.3Å; L182-L184 HydrophobicContact CD2-CB 4.22Å; L182-L184 HydrophobicContact CD2-CD1 4.06Å; L182-L184 HydrophobicContact CD2-CG 3.81Å; L182-F217 HydrophobicContact CD2-CB 3.85Å; L182-F217 WeakPolarHBondContact CD2-O 3.37Å; L182-V219 HydrophobicContact CB-CG1 3.61Å; L182-V219 HydrophobicContact CD1-CG1 3.69Å; L182-V219 HydrophobicContact CG-CG1 4.27Å; L182-F331 HydrophobicContact CD1-CB 3.97Å; L182-F331 HydrophobicContact CD1-CD1 3.64Å; L182-F331 HydrophobicContact CD1-CD2 3.94Å; L182-F331 HydrophobicContact CD1-CE1 4.08Å; L182-F331 HydrophobicContact CD1-CE2 4.35Å; L182-F331 HydrophobicContact CD1-CG 3.57Å; L182-F331 HydrophobicContact CD1-CZ 4.41Å
183	P	97.9	Very high	96.5	Very high	74 Å²	74	56.1 Å²	56.1	48%	0.481	28%	0.276	S	S	.	.	P	Polyproline II helix	cis	-77.8	144.8	8	33.1	-37.2	0	0	0	113.9	F217 D218	P183-F217 VanDerWaalsContact CA-O 3.31Å; P183-F217 WeakPolarHBondContact CA-O 3.11Å; P183-D218 VanDerWaalsContact CB-OD1 3.25Å; P183-D218 WeakPolarHBondContact CB-OD1 3.11Å
184	L	98.4	Very high	96.6	Very high	22 Å²	22	53.4 Å²	53.4	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.7	167.6	-69.9	176	0	0	0	109	L177 Q181 L182 S216 F217	L177-L184 HydrophobicContact CD1-CD1 3.96Å; L177-L184 HydrophobicContact CD2-CD1 4.43Å; Q181-L184 WeakPolarHBondContact O-CD2 3.29Å; L182-L184 HydrophobicContact CD2-CB 4.22Å; L182-L184 HydrophobicContact CD2-CD1 4.06Å; L182-L184 HydrophobicContact CD2-CG 3.81Å; L184-S216 CarbonylContact O-C 3.5Å; L184-S216 VanDerWaalsContact O-CA 3.23Å; L184-S216 WeakPolarHBondContact O-CA 3.44Å; L184-F217 HydrophobicContact CB-CB 4.32Å; L184-F217 HydrophobicContact CB-CD2 4.43Å; L184-F217 PolarHBondContact N-O 3.42Å; L184-F217 PolarHBondContact O-N 2.8Å
185	L	98.7	Very high	96.7	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.058	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	95.6	176.5	-55.9	-176.5	0	0	0	109.3	I117 G119 Q120 M214 T227	I117-L185 HydrophobicContact CD1-CD1 4.31Å; I117-L185 HydrophobicContact CG1-CD1 4.24Å; I117-L185 WeakPolarHBondContact O-CD1 3.47Å; G119-L185 CarbonylContact C-O 3.53Å; G119-L185 WeakPolarHBondContact CA-O 3.21Å; Q120-L185 PolarHBondContact N-O 2.69Å; L185-M214 HydrophobicContact CB-CE 4.24Å; L185-M214 HydrophobicContact CB-SD 4.45Å; L185-T227 HydrophobicContact CD2-CG2 3.37Å
186	L	98.8	Very high	97	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.2	-175.6	-57.3	-175.9	0	0	0	110	Q120 L122 V167 V171 M214 Y215 F217	Q120-L186 HydrophobicContact CB-CD2 4Å; Q120-L186 WeakPolarHBondContact O-CA 3.34Å; L122-L186 HydrophobicContact CD2-CB 3.81Å; L122-L186 HydrophobicContact CD2-CD1 3.95Å; L122-L186 HydrophobicContact CD2-CD2 4.29Å; L122-L186 HydrophobicContact CD2-CG 4.23Å; V167-L186 HydrophobicContact CG2-CB 4.29Å; V167-L186 HydrophobicContact CG2-CD1 4.07Å; V171-L186 HydrophobicContact CG2-CD1 3.85Å; L186-M214 CarbonylContact O-C 3.6Å; L186-M214 VanDerWaalsContact O-CA 3.27Å; L186-M214 WeakPolarHBondContact O-CA 3.24Å; L186-Y215 PolarHBondContact N-O 2.9Å; L186-Y215 PolarHBondContact O-N 2.87Å; L186-F217 HydrophobicContact CD1-CE2 4.46Å
187	Y	98.8	Very high	97	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.5	178.9	78.5	-80.3	0	0	0	113.4	D111 M114 Q120 K121 L122 I189 K212 D213 M214	D111-Y187 WeakPolarHBondContact OD1-CE2 3.2Å; D111-Y187 PolarHBondContact OD1-OH 3.36Å; M114-Y187 HydrophobicContact CB-CD1 4.19Å; M114-Y187 HydrophobicContact CB-CE1 3.69Å; M114-Y187 HydrophobicContact CB-CE2 4.18Å; M114-Y187 HydrophobicContact CG-CD2 4.34Å; M114-Y187 HydrophobicContact CG-CE1 4.38Å; M114-Y187 HydrophobicContact CG-CE2 4.16Å; Q120-Y187 WeakPolarHBondContact O-CD1 3.38Å; Q120-Y187 PolarHBondContact O-N 2.74Å; K121-Y187 CarbonylContact C-O 3.49Å; K121-Y187 VanDerWaalsContact CA-O 3.27Å; K121-Y187 WeakPolarHBondContact CA-O 3.42Å; K121-Y187 HydrophobicContact CB-CD1 4.41Å; K121-Y187 HydrophobicContact CB-CE1 3.79Å; K121-Y187 HydrophobicContact CB-CE2 4.08Å; K121-Y187 HydrophobicContact CD-CE2 3.83Å; K121-Y187 HydrophobicContact CG-CD2 4.29Å; K121-Y187 HydrophobicContact CG-CE1 4.39Å; K121-Y187 HydrophobicContact CG-CE2 3.78Å; L122-Y187 PolarHBondContact N-O 3.29Å; Y187-I189 HydrophobicContact CD2-CG1 4.39Å; Y187-I189 HydrophobicContact CE2-CD1 4.35Å; Y187-I189 HydrophobicContact CE2-CG1 4.41Å; Y187-K212 HydrophobicContact CD2-CD 4.14Å; Y187-K212 HydrophobicContact CD2-CG 3.91Å; Y187-D213 CarbonylContact C-O 3.53Å; Y187-D213 WeakPolarHBondContact CA-O 3.41Å; Y187-D213 WeakPolarHBondContact CB-O 3.32Å; Y187-M214 HydrophobicContact CD1-CE 3.65Å; Y187-M214 HydrophobicContact CE1-CE 4.45Å; Y187-M214 HydrophobicContact CG-CE 3.96Å
188	Q	98.6	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	165.1	171	67.7	175.6	-11.4	0	0	110.2	L122 M124 H163 T190 K212 D213	L122-Q188 HydrophobicContact CD1-CB 4.33Å; L122-Q188 WeakPolarHBondContact O-CA 3.46Å; L122-Q188 WeakPolarHBondContact O-CB 3.36Å; M124-Q188 HydrophobicContact CE-CG 4.08Å; M124-Q188 PolarHBondContact O-OE1 3.09Å; H163-Q188 PolarHBondContact CE1-NE2 3.36Å; H163-Q188 VanDerWaalsContact CG-NE2 3.29Å; H163-Q188 PolarHBondContact ND1-NE2 3.41Å; H163-Q188 VanDerWaalsContact ND1-NE2 3.1Å; Q188-T190 HydrophobicContact CB-CG2 4.2Å; Q188-T190 VanDerWaalsContact CD-OG1 3.24Å; Q188-T190 HydrophobicContact CG-CG2 4.28Å; Q188-T190 PolarHBondContact NE2-OG1 3.14Å; Q188-T190 PolarHBondContact OE1-OG1 2.84Å; Q188-K212 VanDerWaalsContact O-CA 3.3Å; Q188-K212 WeakPolarHBondContact O-CA 3.46Å; Q188-D213 WeakPolarHBondContact CG-OD1 3.27Å; Q188-D213 WeakPolarHBondContact CG-OD2 3.34Å; Q188-D213 PolarHBondContact N-O 3.24Å; Q188-D213 PolarHBondContact NE2-OD1 3.27Å; Q188-D213 PolarHBondContact NE2-OD2 3.45Å; Q188-D213 PolarHBondContact O-N 2.83Å; Q188-D213 VanDerWaalsContact O-N 3.14Å
189	I	98.7	Very high	96.3	Very high	17 Å²	17	54.4 Å²	54.4	9%	0.087	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	94.7	168.7	-56.5	176	0	0	0	108.4	I107 I110 D111 Y187 Y210 M211 K212 V350	I107-I189 HydrophobicContact CB-CD1 4.45Å; I107-I189 HydrophobicContact CD1-CG2 4.03Å; I107-I189 HydrophobicContact CG1-CD1 4.4Å; I107-I189 HydrophobicContact CG1-CG2 3.94Å; I107-I189 HydrophobicContact CG2-CD1 3.9Å; I110-I189 HydrophobicContact CB-CD1 4.29Å; I110-I189 HydrophobicContact CG2-CD1 3.88Å; D111-I189 WeakPolarHBondContact OD1-CD1 3.4Å; Y187-I189 HydrophobicContact CD2-CG1 4.39Å; Y187-I189 HydrophobicContact CE2-CD1 4.35Å; Y187-I189 HydrophobicContact CE2-CG1 4.41Å; I189-Y210 HydrophobicContact CG2-CD1 4.31Å; I189-M211 WeakPolarHBondContact CA-O 3.37Å; I189-K212 HydrophobicContact CD1-CB 4.2Å; I189-K212 HydrophobicContact CD1-CG 3.97Å; I189-K212 HydrophobicContact CG1-CB 3.69Å; I189-K212 HydrophobicContact CG1-CG 3.52Å; I189-V350 HydrophobicContact CG2-CG2 3.86Å
190	T	97.8	Very high	96	Very high	16 Å²	16	54.3 Å²	54.3	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	169	-171.4	61.9	0	0	0	0	111.3	D123 Q188 K192 M211	D123-T190 WeakPolarHBondContact OD1-CG2 3.34Å; Q188-T190 HydrophobicContact CB-CG2 4.2Å; Q188-T190 VanDerWaalsContact CD-OG1 3.24Å; Q188-T190 HydrophobicContact CG-CG2 4.28Å; Q188-T190 PolarHBondContact NE2-OG1 3.14Å; Q188-T190 PolarHBondContact OE1-OG1 2.84Å; T190-K192 PolarHBondContact O-NZ 3.18Å; T190-K192 PolarHBondContact OG1-NZ 2.96Å; T190-M211 PolarHBondContact N-O 3.21Å; T190-M211 VanDerWaalsContact N-O 3.14Å; T190-M211 PolarHBondContact O-N 3.44Å
191	R	97.4	Very high	95.7	Very high	101 Å²	101	46.7 Å²	46.7	38%	0.381	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.8	174.4	-75.2	175.3	165.1	144	1.2	111	F193 E208 F209 Y210	R191-F193 HydrophobicContact CB-CE2 4.12Å; R191-F193 HydrophobicContact CB-CZ 4.16Å; R191-E208 WeakPolarHBondContact CD-OE1 3.45Å; R191-E208 IonicContact CZ-OE1 3.96Å; R191-E208 IonicContact NE-OE1 2.7Å; R191-E208 PolarHBondContact NE-OE1 3.4Å; R191-E208 IonicContact NH1-OE1 2.69Å; R191-E208 IonicContact NH2-OE1 3.17Å; R191-F209 CarbonylContact C-O 3.54Å; R191-F209 WeakPolarHBondContact CA-O 3.42Å; R191-Y210 HydrophobicContact CG-CD2 3.77Å; R191-Y210 HydrophobicContact CG-CE1 4.33Å; R191-Y210 HydrophobicContact CG-CE2 3.43Å; R191-Y210 VanDerWaalsContact CG-CE2 3.43Å; R191-Y210 HydrophobicContact CG-CG 4.37Å
192	K	97.9	Very high	95.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.3	173.1	-56.1	-61.8	-173.5	-76.2	0	109.5	G160 H163 T190 E208 F209 M211 D213	G160-K192 WeakPolarHBondContact O-CA 3.2Å; H163-K192 VanDerWaalsContact ND1-CE 3.28Å; H163-K192 WeakPolarHBondContact ND1-CE 3.31Å; T190-K192 PolarHBondContact O-NZ 3.18Å; T190-K192 PolarHBondContact OG1-NZ 2.96Å; K192-E208 WeakPolarHBondContact O-CA 3.25Å; K192-F209 HydrophobicContact CB-CD2 4.25Å; K192-F209 HydrophobicContact CB-CE1 4.45Å; K192-F209 HydrophobicContact CB-CE2 3.69Å; K192-F209 HydrophobicContact CB-CZ 3.81Å; K192-F209 HydrophobicContact CG-CE2 4.25Å; K192-F209 PolarHBondContact N-O 2.91Å; K192-F209 PolarHBondContact O-N 3.22Å; K192-F209 VanDerWaalsContact O-N 3.15Å; K192-M211 HydrophobicContact CG-CB 3.7Å; K192-M211 HydrophobicContact CG-CG 4.49Å; K192-M211 HydrophobicContact CG-SD 4.24Å; K192-D213 VanDerWaalsContact CE-CG 3.46Å; K192-D213 VanDerWaalsContact CE-OD1 3.27Å; K192-D213 WeakPolarHBondContact CE-OD1 3.49Å; K192-D213 WeakPolarHBondContact CE-OD2 3.12Å; K192-D213 IonicContact NZ-OD1 3.59Å; K192-D213 PolarHBondContact NZ-OD1 3.05Å; K192-D213 IonicContact NZ-OD2 2.74Å; K192-D213 PolarHBondContact NZ-OD2 3.43Å
193	F	98	Very high	95.5	Very high	32 Å²	32	41.8 Å²	41.8	14%	0.14	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.2	-174.3	-57	-94	0	0	0	110.2	F147 L159 G160 P161 R191 R207 E208	F147-F193 HydrophobicContact CD2-CB 3.79Å; F147-F193 HydrophobicContact CE2-CB 4.25Å; L159-F193 HydrophobicContact CB-CB 3.65Å; L159-F193 HydrophobicContact CB-CD2 3.71Å; L159-F193 HydrophobicContact CB-CG 3.72Å; L159-F193 HydrophobicContact CD1-CB 4.23Å; L159-F193 HydrophobicContact CD1-CD1 3.89Å; L159-F193 HydrophobicContact CD1-CD2 4.38Å; L159-F193 HydrophobicContact CD1-CE1 4.33Å; L159-F193 HydrophobicContact CD1-CG 3.91Å; L159-F193 HydrophobicContact CG-CD2 4.46Å; L159-F193 HydrophobicContact CG-CG 4.37Å; G160-F193 PolarHBondContact O-N 2.92Å; P161-F193 VanDerWaalsContact CA-O 3.29Å; P161-F193 WeakPolarHBondContact CA-O 3.34Å; P161-F193 VanDerWaalsContact CB-O 3.28Å; P161-F193 WeakPolarHBondContact CB-O 3.44Å; R191-F193 HydrophobicContact CB-CE2 4.12Å; R191-F193 HydrophobicContact CB-CZ 4.16Å; F193-R207 CarbonylContact C-O 3.53Å; F193-R207 VanDerWaalsContact CA-O 3.27Å; F193-R207 WeakPolarHBondContact CA-O 3.18Å; F193-E208 HydrophobicContact CD1-CB 4.16Å; F193-E208 HydrophobicContact CD1-CG 4.06Å; F193-E208 HydrophobicContact CE1-CB 4.18Å; F193-E208 HydrophobicContact CE1-CG 3.63Å; F193-E208 HydrophobicContact CZ-CG 4.25Å
194	R	97.2	Very high	95.3	Very high	88 Å²	88	38.7 Å²	38.7	33%	0.332	18%	0.183	S	C	.	.			trans	-134.8	125.6	174.5	-62.2	-177	-174.1	176.5	2.6	108.1	P161 E196 R207 F209	P161-R194 HydrophobicContact CB-CG 3.8Å; P161-R194 PolarHBondContact O-NE 3.01Å; P161-R194 PolarHBondContact O-NH2 2.72Å; R194-E196 PolarHBondContact O-N 3.34Å; R194-R207 PolarHBondContact N-O 2.68Å; R194-R207 WeakPolarHBondContact O-CA 3.38Å; R194-R207 VanDerWaalsContact O-CB 3.24Å; R194-R207 WeakPolarHBondContact O-CB 3.19Å; R194-R207 WeakPolarHBondContact O-CG 3.43Å; R194-F209 HydrophobicContact CB-CE1 4.28Å; R194-F209 HydrophobicContact CG-CE1 3.98Å; R194-F209 HydrophobicContact CG-CZ 4.07Å
195	D	96	Very high	95.1	Very high	54 Å²	54	40.6 Å²	40.6	29%	0.289	19%	0.189	S	C	.	.			trans	-79.3	66.3	179.6	-159.3	20.1	0	0	0	110.5	E145 F147 P197 R207	E145-D195 PolarHBondContact O-N 3.37Å; F147-D195 HydrophobicContact CD1-CB 4.09Å; F147-D195 HydrophobicContact CD2-CB 4.12Å; F147-D195 HydrophobicContact CE1-CB 3.63Å; F147-D195 WeakPolarHBondContact CE1-OD1 3.44Å; F147-D195 HydrophobicContact CE2-CB 3.7Å; F147-D195 HydrophobicContact CG-CB 4.33Å; F147-D195 HydrophobicContact CZ-CB 3.43Å; F147-D195 VanDerWaalsContact CZ-CB 3.43Å; F147-D195 VanDerWaalsContact CZ-CG 3.44Å; F147-D195 VanDerWaalsContact CZ-OD1 3.24Å; F147-D195 WeakPolarHBondContact CZ-OD1 3.45Å; D195-P197 WeakPolarHBondContact O-CD 3.5Å; D195-R207 VanDerWaalsContact OD1-CD 3.25Å; D195-R207 WeakPolarHBondContact OD1-CD 3.33Å; D195-R207 IonicContact OD1-CZ 3.74Å; D195-R207 IonicContact OD1-NE 3.45Å; D195-R207 IonicContact OD1-NH1 3.69Å; D195-R207 PolarHBondContact OD1-NH1 3.48Å
196	E	93.8	Very high	94.9	Very high	27 Å²	27	40.6 Å²	40.6	13%	0.126	19%	0.191	C	C	.	.			trans	-56.2	120.2	177.7	169.6	59	-124.4	0	0	109.4	R194 K198 P199 R205 R207	R194-E196 PolarHBondContact O-N 3.34Å; E196-K198 PolarHBondContact O-N 3.02Å; E196-K198 PolarHBondContact OE1-N 3.35Å; E196-P199 HydrophobicContact CG-CB 4.36Å; E196-P199 WeakPolarHBondContact O-CD 3.27Å; E196-R205 HydrophobicContact CG-CG 4.04Å; E196-R205 IonicContact OE1-CZ 2.88Å; E196-R205 IonicContact OE1-NE 3.36Å; E196-R205 PolarHBondContact OE1-NE 3.44Å; E196-R205 IonicContact OE1-NH2 3.71Å; E196-R205 PolarHBondContact OE1-NH2 3.1Å; E196-R205 IonicContact OE2-CZ 3.03Å; E196-R205 VanDerWaalsContact OE2-CZ 3.24Å; E196-R205 IonicContact OE2-NE 3.96Å; E196-R205 PolarHBondContact OE2-NE 3.01Å; E196-R205 IonicContact OE2-NH2 3.97Å; E196-R205 PolarHBondContact OE2-NH2 3.37Å; E196-R207 HydrophobicContact CB-CG 4.01Å
197	P	89.2	Confident	94.8	Very high	101 Å²	101	42.2 Å²	42.2	66%	0.656	20%	0.196	S	C	*	.	S	Bend	trans	-63.7	-29.3	-174.4	23	-35.4	0	0	0	113.1	D195	D195-P197 WeakPolarHBondContact O-CD 3.5Å
198	K	89.5	Confident	94.8	Very high	154 Å²	154	44.5 Å²	44.5	67%	0.67	21%	0.207	S	C	*	.	S	Bend	trans	-135	76.5	179.5	-67.1	-176	-178.2	177.5	0	110.7	E196 R200	E196-K198 PolarHBondContact O-N 3.02Å; E196-K198 PolarHBondContact OE1-N 3.35Å; K198-R200 PolarHBondContact O-N 2.86Å; K198-R200 PolarHBondContact O-NH1 3.41Å
199	P	89.2	Confident	94.7	Very high	39 Å²	39	45.8 Å²	45.8	25%	0.253	21%	0.212	S	C	.	.			trans	-65.9	131.5	179.2	27.7	-31.3	0	0	0	109.7	P90 G91 E196 R205 R207	P90-P199 HydrophobicContact CB-CG 4.17Å; G91-P199 VanDerWaalsContact CA-CB 3.43Å; E196-P199 HydrophobicContact CG-CB 4.36Å; E196-P199 WeakPolarHBondContact O-CD 3.27Å; P199-R205 CarbonylContact C-O 3.55Å; P199-R205 VanDerWaalsContact CA-O 3.31Å; P199-R205 WeakPolarHBondContact CA-O 3.26Å; P199-R207 HydrophobicContact CB-CG 4.33Å
200	R	89.2	Confident	94.7	Very high	78 Å²	78	47.1 Å²	47.1	29%	0.294	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-148.8	170.9	-171.7	56	179.2	176.5	-97.4	16.9	111.3	K198 G202 R205 E272	K198-R200 PolarHBondContact O-N 2.86Å; K198-R200 PolarHBondContact O-NH1 3.41Å; R200-G202 VanDerWaalsContact C-N 3.31Å; R200-G202 PolarHBondContact O-N 3.42Å; R200-R205 HydrophobicContact CG-CB 4.21Å; R200-R205 HydrophobicContact CG-CG 4.32Å; R200-R205 PolarHBondContact N-O 2.81Å; R200-R205 CarbonylContact O-C 3.36Å; R200-R205 WeakPolarHBondContact O-CB 3.31Å; R200-R205 PolarHBondContact O-N 3.15Å; R200-R205 VanDerWaalsContact O-O 3.04Å; R200-E272 IonicContact CZ-OE1 3.8Å; R200-E272 IonicContact NE-OE1 3.99Å; R200-E272 PolarHBondContact NE-OE1 3.03Å; R200-E272 IonicContact NH2-OE1 3.48Å; R200-E272 PolarHBondContact NH2-OE1 3Å
201	F	91	Very high	94.7	Very high	35 Å²	35	47.5 Å²	47.5	15%	0.154	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	34.6	173.4	-50.7	-48.3	0	0	0	115.4	T72 C73 L203 L204 E272	T72-F201 WeakPolarHBondContact OG1-CA 3.45Å; T72-F201 WeakPolarHBondContact OG1-CD1 3.42Å; T72-F201 PolarHBondContact OG1-N 3.21Å; C73-F201 HydrophobicContact CB-CD1 3.98Å; F201-L203 PolarHBondContact O-N 3.34Å; F201-L204 HydrophobicContact CB-CB 3.84Å; F201-L204 HydrophobicContact CB-CD1 4.09Å; F201-L204 HydrophobicContact CB-CG 4.39Å; F201-L204 WeakPolarHBondContact O-CB 3.38Å; F201-L204 PolarHBondContact O-N 2.81Å; F201-L204 VanDerWaalsContact O-N 3.09Å; F201-E272 HydrophobicContact CE2-CG 4.26Å
202	G	92.6	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-123.1	176.2	0	0	0	0	0	112.6	Y93 R200 L204	Y93-G202 WeakPolarHBondContact CE2-O 3.5Å; Y93-G202 VanDerWaalsContact OH-CA 3.32Å; Y93-G202 WeakPolarHBondContact OH-CA 3.3Å; R200-G202 VanDerWaalsContact C-N 3.31Å; R200-G202 PolarHBondContact O-N 3.42Å; G202-L204 VanDerWaalsContact C-N 3.29Å
203	L	95.9	Very high	94.8	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.042	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.7	178.2	-53.7	-174.2	0	0	0	113.8	M79 I85 Y93 Y95 F201 A355	M79-L203 HydrophobicContact CE-CD1 3.77Å; M79-L203 HydrophobicContact SD-CD1 4.34Å; I85-L203 HydrophobicContact CD1-CD2 4.33Å; I85-L203 HydrophobicContact CD1-CG 4.15Å; I85-L203 HydrophobicContact CG2-CD1 4.05Å; I85-L203 HydrophobicContact CG2-CD2 4.35Å; I85-L203 HydrophobicContact CG2-CG 4.36Å; Y93-L203 HydrophobicContact CD2-CD2 3.71Å; Y93-L203 HydrophobicContact CE2-CD2 4.41Å; Y93-L203 HydrophobicContact CG-CD2 3.89Å; Y95-L203 HydrophobicContact CD1-CD2 4.36Å; Y95-L203 HydrophobicContact CE1-CD1 4.37Å; Y95-L203 HydrophobicContact CE1-CD2 3.61Å; F201-L203 PolarHBondContact O-N 3.34Å; L203-A355 HydrophobicContact CB-CB 3.93Å
204	L	95.4	Very high	94.9	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.047	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-38.4	179.7	-63.1	178.9	0	0	0	111.5	F201 G202 I270 I311 R352 A355 A356	F201-L204 HydrophobicContact CB-CB 3.84Å; F201-L204 HydrophobicContact CB-CD1 4.09Å; F201-L204 HydrophobicContact CB-CG 4.39Å; F201-L204 WeakPolarHBondContact O-CB 3.38Å; F201-L204 PolarHBondContact O-N 2.81Å; F201-L204 VanDerWaalsContact O-N 3.09Å; G202-L204 VanDerWaalsContact C-N 3.29Å; L204-I270 HydrophobicContact CD1-CD1 3.65Å; L204-I311 HydrophobicContact CD1-CD1 4.28Å; L204-I311 HydrophobicContact CD2-CG2 3.97Å; L204-R352 HydrophobicContact CD2-CG 3.81Å; L204-R352 PolarHBondContact O-NE 3.41Å; L204-R352 PolarHBondContact O-NH2 3.35Å; L204-A355 HydrophobicContact CD2-CB 3.68Å; L204-A355 HydrophobicContact CG-CB 3.99Å; L204-A356 HydrophobicContact CD2-CB 4Å
205	R	93.9	Very high	94.9	Very high	63 Å²	63	37.3 Å²	37.3	24%	0.238	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-140.3	74.9	-179.3	-171	161.6	-178	158.6	5.2	111.6	E196 P199 R200 E272	E196-R205 HydrophobicContact CG-CG 4.04Å; E196-R205 IonicContact OE1-CZ 2.88Å; E196-R205 IonicContact OE1-NE 3.36Å; E196-R205 PolarHBondContact OE1-NE 3.44Å; E196-R205 IonicContact OE1-NH2 3.71Å; E196-R205 PolarHBondContact OE1-NH2 3.1Å; E196-R205 IonicContact OE2-CZ 3.03Å; E196-R205 VanDerWaalsContact OE2-CZ 3.24Å; E196-R205 IonicContact OE2-NE 3.96Å; E196-R205 PolarHBondContact OE2-NE 3.01Å; E196-R205 IonicContact OE2-NH2 3.97Å; E196-R205 PolarHBondContact OE2-NH2 3.37Å; P199-R205 CarbonylContact C-O 3.55Å; P199-R205 VanDerWaalsContact CA-O 3.31Å; P199-R205 WeakPolarHBondContact CA-O 3.26Å; R200-R205 HydrophobicContact CG-CB 4.21Å; R200-R205 HydrophobicContact CG-CG 4.32Å; R200-R205 PolarHBondContact N-O 2.81Å; R200-R205 CarbonylContact O-C 3.36Å; R200-R205 WeakPolarHBondContact O-CB 3.31Å; R200-R205 PolarHBondContact O-N 3.15Å; R200-R205 VanDerWaalsContact O-O 3.04Å; R205-E272 VanDerWaalsContact CD-OE2 3.27Å; R205-E272 WeakPolarHBondContact CD-OE2 3.5Å; R205-E272 IonicContact CZ-OE2 3.83Å; R205-E272 IonicContact NE-OE2 2.66Å; R205-E272 IonicContact NH1-OE1 3.67Å; R205-E272 PolarHBondContact NH1-OE1 3.27Å; R205-E272 IonicContact NH1-OE2 3.09Å; R205-E272 PolarHBondContact NH1-OE2 3.15Å
206	G	94.3	Very high	95.1	Very high	10 Å²	10	34.7 Å²	34.7	10%	0.103	17%	0.165	C	C	.	.			trans	-99.9	-179.1	175.3	0	0	0	0	0	113.5	G91	G91-G206 CarbonylContact O-C 3.57Å; G91-G206 VanDerWaalsContact O-CA 3.31Å; G91-G206 WeakPolarHBondContact O-CA 3.3Å
207	R	96.8	Very high	95.3	Very high	53 Å²	53	33.4 Å²	33.4	20%	0.2	16%	0.159	C	C	.	.	S	Bend	trans	-100.2	-25	173.8	-66	-166.5	-64.4	164.1	0.5	113.5	P90 G91 F147 F193 R194 D195 E196 P199	P90-R207 PolarHBondContact O-NE 3.22Å; P90-R207 PolarHBondContact O-NH2 2.82Å; G91-R207 PolarHBondContact O-N 2.73Å; F147-R207 HydrophobicContact CE2-CB 4.49Å; F193-R207 CarbonylContact C-O 3.53Å; F193-R207 VanDerWaalsContact CA-O 3.27Å; F193-R207 WeakPolarHBondContact CA-O 3.18Å; R194-R207 PolarHBondContact N-O 2.68Å; R194-R207 WeakPolarHBondContact O-CA 3.38Å; R194-R207 VanDerWaalsContact O-CB 3.24Å; R194-R207 WeakPolarHBondContact O-CB 3.19Å; R194-R207 WeakPolarHBondContact O-CG 3.43Å; D195-R207 VanDerWaalsContact OD1-CD 3.25Å; D195-R207 WeakPolarHBondContact OD1-CD 3.33Å; D195-R207 IonicContact OD1-CZ 3.74Å; D195-R207 IonicContact OD1-NE 3.45Å; D195-R207 IonicContact OD1-NH1 3.69Å; D195-R207 PolarHBondContact OD1-NH1 3.48Å; E196-R207 HydrophobicContact CB-CG 4.01Å; P199-R207 HydrophobicContact CB-CG 4.33Å
208	E	97.6	Very high	95.7	Very high	49 Å²	49	28.7 Å²	28.7	23%	0.229	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.5	172.8	-179.9	-173.4	160	0	0	108.7	R191 K192 F193	R191-E208 WeakPolarHBondContact CD-OE1 3.45Å; R191-E208 IonicContact CZ-OE1 3.96Å; R191-E208 IonicContact NE-OE1 2.7Å; R191-E208 PolarHBondContact NE-OE1 3.4Å; R191-E208 IonicContact NH1-OE1 2.69Å; R191-E208 IonicContact NH2-OE1 3.17Å; K192-E208 WeakPolarHBondContact O-CA 3.25Å; F193-E208 HydrophobicContact CD1-CB 4.16Å; F193-E208 HydrophobicContact CD1-CG 4.06Å; F193-E208 HydrophobicContact CE1-CB 4.18Å; F193-E208 HydrophobicContact CE1-CG 3.63Å; F193-E208 HydrophobicContact CZ-CG 4.25Å
209	F	97.9	Very high	96.1	Very high	27 Å²	27	24.1 Å²	24.1	12%	0.118	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	156.6	-175.7	56.1	-89.9	0	0	0	111.6	R191 K192 R194 M211 T351	R191-F209 CarbonylContact C-O 3.54Å; R191-F209 WeakPolarHBondContact CA-O 3.42Å; K192-F209 HydrophobicContact CB-CD2 4.25Å; K192-F209 HydrophobicContact CB-CE1 4.45Å; K192-F209 HydrophobicContact CB-CE2 3.69Å; K192-F209 HydrophobicContact CB-CZ 3.81Å; K192-F209 HydrophobicContact CG-CE2 4.25Å; K192-F209 PolarHBondContact N-O 2.91Å; K192-F209 PolarHBondContact O-N 3.22Å; K192-F209 VanDerWaalsContact O-N 3.15Å; R194-F209 HydrophobicContact CB-CE1 4.28Å; R194-F209 HydrophobicContact CG-CE1 3.98Å; R194-F209 HydrophobicContact CG-CZ 4.07Å; F209-M211 HydrophobicContact CD2-CB 4.3Å; F209-M211 HydrophobicContact CE2-CB 4.16Å; F209-M211 HydrophobicContact CE2-CE 3.71Å; F209-M211 HydrophobicContact CE2-SD 4.36Å; F209-M211 HydrophobicContact CZ-CE 4.48Å; F209-T351 WeakPolarHBondContact CB-OG1 3.21Å
210	Y	98.3	Very high	96.6	Very high	46 Å²	46	24.1 Å²	24.1	18%	0.18	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.4	171.6	-85.1	-106	0	0	0	110.3	Y95 M103 I189 R191 V350 T351	Y95-Y210 AromaticContact CE2-CD2 3.8Å; Y95-Y210 HydrophobicContact CE2-CD2 3.8Å; Y95-Y210 AromaticContact CE2-CE2 3.94Å; Y95-Y210 HydrophobicContact CE2-CE2 3.94Å; M103-Y210 HydrophobicContact CE-CD2 4.34Å; M103-Y210 HydrophobicContact CE-CE1 4.21Å; M103-Y210 HydrophobicContact CE-CE2 4.01Å; M103-Y210 HydrophobicContact SD-CD1 4.3Å; M103-Y210 HydrophobicContact SD-CD2 3.73Å; M103-Y210 HydrophobicContact SD-CE2 3.99Å; M103-Y210 HydrophobicContact SD-CG 3.88Å; I189-Y210 HydrophobicContact CG2-CD1 4.31Å; R191-Y210 HydrophobicContact CG-CD2 3.77Å; R191-Y210 HydrophobicContact CG-CE1 4.33Å; R191-Y210 HydrophobicContact CG-CE2 3.43Å; R191-Y210 VanDerWaalsContact CG-CE2 3.43Å; R191-Y210 HydrophobicContact CG-CG 4.37Å; Y210-V350 PolarHBondContact O-N 3.06Å; Y210-T351 HydrophobicContact CD2-CG2 4.17Å; Y210-T351 HydrophobicContact CG-CG2 4.42Å; Y210-T351 PolarHBondContact N-OG1 3.48Å; Y210-T351 PolarHBondContact O-N 3.48Å
211	M	98.6	Very high	96.9	Very high	24 Å²	24	24.6 Å²	24.6	12%	0.118	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.6	175.7	179.7	171.3	-87.6	0	0	109	I189 T190 K192 F209 D213 L348	I189-M211 WeakPolarHBondContact CA-O 3.37Å; T190-M211 PolarHBondContact N-O 3.21Å; T190-M211 VanDerWaalsContact N-O 3.14Å; T190-M211 PolarHBondContact O-N 3.44Å; K192-M211 HydrophobicContact CG-CB 3.7Å; K192-M211 HydrophobicContact CG-CG 4.49Å; K192-M211 HydrophobicContact CG-SD 4.24Å; F209-M211 HydrophobicContact CD2-CB 4.3Å; F209-M211 HydrophobicContact CE2-CB 4.16Å; F209-M211 HydrophobicContact CE2-CE 3.71Å; F209-M211 HydrophobicContact CE2-SD 4.36Å; F209-M211 HydrophobicContact CZ-CE 4.48Å; M211-D213 HydrophobicContact CG-CB 4.43Å; M211-L348 CarbonylContact C-O 3.46Å; M211-L348 VanDerWaalsContact CA-O 3.31Å; M211-L348 WeakPolarHBondContact CA-O 3.46Å
212	K	98.7	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.1	157	-171	-89.2	-90.3	173.3	0	107.1	I110 M114 Y187 Q188 I189 M214 Y235 G347 L348 V350	I110-K212 HydrophobicContact CG2-CB 4.23Å; I110-K212 HydrophobicContact CG2-CG 3.87Å; M114-K212 HydrophobicContact SD-CD 4.47Å; M114-K212 WeakPolarHBondContact SD-CE 3.29Å; M114-K212 PolarHBondContact SD-NZ 3.49Å; Y187-K212 HydrophobicContact CD2-CD 4.14Å; Y187-K212 HydrophobicContact CD2-CG 3.91Å; Q188-K212 VanDerWaalsContact O-CA 3.3Å; Q188-K212 WeakPolarHBondContact O-CA 3.46Å; I189-K212 HydrophobicContact CD1-CB 4.2Å; I189-K212 HydrophobicContact CD1-CG 3.97Å; I189-K212 HydrophobicContact CG1-CB 3.69Å; I189-K212 HydrophobicContact CG1-CG 3.52Å; K212-M214 HydrophobicContact CD-CB 4.23Å; K212-Y235 PolarHBondContact NZ-OH 3.48Å; K212-G347 CarbonylContact O-C 3.56Å; K212-G347 VanDerWaalsContact O-CA 3.25Å; K212-G347 WeakPolarHBondContact O-CA 3.15Å; K212-L348 HydrophobicContact CB-CB 4.19Å; K212-L348 PolarHBondContact N-O 3.13Å; K212-L348 PolarHBondContact O-N 3.37Å; K212-V350 HydrophobicContact CB-CG2 4.23Å
213	D	98.4	Very high	97.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.7	175.1	47.2	-50.5	0	0	0	108	H163 Y187 Q188 K192 M211 Y215 Y346	H163-D213 IonicContact CG-OD2 3.13Å; H163-D213 IonicContact ND1-OD2 2.69Å; Y187-D213 CarbonylContact C-O 3.53Å; Y187-D213 WeakPolarHBondContact CA-O 3.41Å; Y187-D213 WeakPolarHBondContact CB-O 3.32Å; Q188-D213 WeakPolarHBondContact CG-OD1 3.27Å; Q188-D213 WeakPolarHBondContact CG-OD2 3.34Å; Q188-D213 PolarHBondContact N-O 3.24Å; Q188-D213 PolarHBondContact NE2-OD1 3.27Å; Q188-D213 PolarHBondContact NE2-OD2 3.45Å; Q188-D213 PolarHBondContact O-N 2.83Å; Q188-D213 VanDerWaalsContact O-N 3.14Å; K192-D213 VanDerWaalsContact CE-CG 3.46Å; K192-D213 VanDerWaalsContact CE-OD1 3.27Å; K192-D213 WeakPolarHBondContact CE-OD1 3.49Å; K192-D213 WeakPolarHBondContact CE-OD2 3.12Å; K192-D213 IonicContact NZ-OD1 3.59Å; K192-D213 PolarHBondContact NZ-OD1 3.05Å; K192-D213 IonicContact NZ-OD2 2.74Å; K192-D213 PolarHBondContact NZ-OD2 3.43Å; M211-D213 HydrophobicContact CG-CB 4.43Å; D213-Y215 HydrophobicContact CB-CE2 4.02Å; D213-Y215 PolarHBondContact OD2-OH 3.05Å; D213-Y346 WeakPolarHBondContact CA-O 3.46Å
214	M	98.8	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.8	177.8	174.9	177.3	-91.3	0	0	109.5	M114 I117 L185 L186 Y187 K212 V231 C345 Y346	M114-M214 HydrophobicContact CB-CE 4.04Å; M114-M214 HydrophobicContact CG-CE 4.03Å; M114-M214 HydrophobicContact SD-CE 3.47Å; M114-M214 WeakPolarHBondContact SD-CE 3.5Å; M114-M214 HydrophobicContact SD-SD 3.92Å; I117-M214 HydrophobicContact CD1-CE 4.46Å; I117-M214 HydrophobicContact CD1-SD 4.36Å; L185-M214 HydrophobicContact CB-CE 4.24Å; L185-M214 HydrophobicContact CB-SD 4.45Å; L186-M214 CarbonylContact O-C 3.6Å; L186-M214 VanDerWaalsContact O-CA 3.27Å; L186-M214 WeakPolarHBondContact O-CA 3.24Å; Y187-M214 HydrophobicContact CD1-CE 3.65Å; Y187-M214 HydrophobicContact CE1-CE 4.45Å; Y187-M214 HydrophobicContact CG-CE 3.96Å; K212-M214 HydrophobicContact CD-CB 4.23Å; M214-V231 HydrophobicContact SD-CG2 4.03Å; M214-C345 CarbonylContact O-C 3.54Å; M214-C345 VanDerWaalsContact O-CA 3.27Å; M214-C345 WeakPolarHBondContact O-CA 3.33Å; M214-Y346 HydrophobicContact CB-CD2 4.18Å; M214-Y346 HydrophobicContact CG-CD2 3.99Å; M214-Y346 PolarHBondContact N-O 2.83Å; M214-Y346 PolarHBondContact O-N 3.38Å; M214-Y346 HydrophobicContact SD-CD2 4.41Å
215	Y	98.8	Very high	97.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.1	179.6	-54.6	-82.8	0	0	0	109	M124 T162 H163 E164 V167 L186 D213 G344 C345	M124-Y215 HydrophobicContact CE-CD2 4.38Å; M124-Y215 HydrophobicContact CE-CE2 3.95Å; T162-Y215 PolarHBondContact OG1-OH 3.35Å; H163-Y215 WeakPolarHBondContact CA-OH 3.03Å; H163-Y215 HydrophobicContact CB-CE2 4.08Å; H163-Y215 PolarHBondContact N-OH 2.74Å; E164-Y215 HydrophobicContact CB-CE1 4.37Å; E164-Y215 HydrophobicContact CG-CD1 4.43Å; E164-Y215 HydrophobicContact CG-CE1 3.78Å; V167-Y215 HydrophobicContact CB-CD2 4.05Å; V167-Y215 HydrophobicContact CB-CG 4.35Å; V167-Y215 HydrophobicContact CG1-CD1 3.93Å; V167-Y215 HydrophobicContact CG1-CD2 3.65Å; V167-Y215 HydrophobicContact CG1-CE1 4.44Å; V167-Y215 HydrophobicContact CG1-CE2 4.17Å; V167-Y215 HydrophobicContact CG1-CG 3.51Å; V167-Y215 HydrophobicContact CG2-CD2 4.14Å; V167-Y215 HydrophobicContact CG2-CG 4.42Å; L186-Y215 PolarHBondContact N-O 2.9Å; L186-Y215 PolarHBondContact O-N 2.87Å; D213-Y215 HydrophobicContact CB-CE2 4.02Å; D213-Y215 PolarHBondContact OD2-OH 3.05Å; Y215-G344 VanDerWaalsContact CA-O 3.3Å; Y215-G344 WeakPolarHBondContact CA-O 3.45Å; Y215-C345 HydrophobicContact CD1-CB 3.55Å; Y215-C345 HydrophobicContact CE1-CB 3.64Å
216	S	98.6	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	151	174.3	74.7	0	0	0	0	111.6	L184 D218 M343 G344 Y346	L184-S216 CarbonylContact O-C 3.5Å; L184-S216 VanDerWaalsContact O-CA 3.23Å; L184-S216 WeakPolarHBondContact O-CA 3.44Å; S216-D218 VanDerWaalsContact CB-OD2 3.26Å; S216-D218 WeakPolarHBondContact CB-OD2 3.3Å; S216-D218 PolarHBondContact OG-OD2 2.91Å; S216-M343 VanDerWaalsContact O-CA 3.32Å; S216-M343 WeakPolarHBondContact O-CA 3.5Å; S216-G344 PolarHBondContact N-O 3.37Å; S216-G344 PolarHBondContact O-N 3.24Å; S216-G344 PolarHBondContact OG-N 3.35Å; S216-Y346 PolarHBondContact OG-OH 2.81Å
217	F	98.6	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.2	167.9	-60.7	-97.8	0	0	0	108.1	V167 T168 V171 L182 P183 L184 L186 A329 A341 E342 M343	V167-F217 HydrophobicContact CG1-CZ 4.26Å; V167-F217 HydrophobicContact CG2-CE2 4.09Å; V167-F217 HydrophobicContact CG2-CZ 4.29Å; T168-F217 HydrophobicContact CG2-CE1 4.4Å; V171-F217 HydrophobicContact CB-CD1 4.39Å; V171-F217 HydrophobicContact CB-CE1 3.98Å; V171-F217 HydrophobicContact CB-CE2 4.37Å; V171-F217 HydrophobicContact CB-CZ 3.97Å; V171-F217 HydrophobicContact CG1-CD1 4.02Å; V171-F217 HydrophobicContact CG1-CE1 4.1Å; V171-F217 HydrophobicContact CG1-CG 4.3Å; V171-F217 HydrophobicContact CG1-CZ 4.47Å; V171-F217 HydrophobicContact CG2-CD1 4.46Å; V171-F217 HydrophobicContact CG2-CD2 3.97Å; V171-F217 HydrophobicContact CG2-CE1 4.07Å; V171-F217 HydrophobicContact CG2-CE2 3.55Å; V171-F217 HydrophobicContact CG2-CG 4.41Å; V171-F217 HydrophobicContact CG2-CZ 3.59Å; L182-F217 HydrophobicContact CD2-CB 3.85Å; L182-F217 WeakPolarHBondContact CD2-O 3.37Å; P183-F217 VanDerWaalsContact CA-O 3.31Å; P183-F217 WeakPolarHBondContact CA-O 3.11Å; L184-F217 HydrophobicContact CB-CB 4.32Å; L184-F217 HydrophobicContact CB-CD2 4.43Å; L184-F217 PolarHBondContact N-O 3.42Å; L184-F217 PolarHBondContact O-N 2.8Å; L186-F217 HydrophobicContact CD1-CE2 4.46Å; F217-A329 HydrophobicContact CE1-CB 4.41Å; F217-A341 HydrophobicContact CB-CB 4.25Å; F217-A341 HydrophobicContact CD1-CB 4.18Å; F217-E342 CarbonylContact C-O 3.6Å; F217-E342 VanDerWaalsContact CA-O 3.3Å; F217-E342 WeakPolarHBondContact CA-O 3.25Å; F217-M343 HydrophobicContact CD1-CE 4.33Å; F217-M343 HydrophobicContact CD1-CG 3.9Å; F217-M343 HydrophobicContact CD1-SD 4.16Å; F217-M343 HydrophobicContact CE1-CE 3.55Å; F217-M343 HydrophobicContact CE1-CG 3.97Å; F217-M343 HydrophobicContact CE1-SD 3.62Å; F217-M343 HydrophobicContact CE2-CE 4.39Å; F217-M343 HydrophobicContact CZ-CE 3.58Å; F217-M343 HydrophobicContact CZ-SD 4.29Å
218	D	98.6	Very high	98.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.7	-168.8	-63.1	-85.8	0	0	0	111.2	P183 S216 A223 A224 T227 E342	P183-D218 VanDerWaalsContact CB-OD1 3.25Å; P183-D218 WeakPolarHBondContact CB-OD1 3.11Å; S216-D218 VanDerWaalsContact CB-OD2 3.26Å; S216-D218 WeakPolarHBondContact CB-OD2 3.3Å; S216-D218 PolarHBondContact OG-OD2 2.91Å; D218-A223 HydrophobicContact CB-CB 4.27Å; D218-A224 HydrophobicContact CB-CB 3.83Å; D218-T227 WeakPolarHBondContact OD1-CB 3.39Å; D218-T227 PolarHBondContact OD1-OG1 2.86Å; D218-E342 HydrophobicContact CB-CB 4.25Å; D218-E342 PolarHBondContact N-O 3.45Å; D218-E342 PolarHBondContact O-N 3.41Å
219	V	98.1	Very high	98	Very high	59 Å²	59	37.1 Å²	37.1	36%	0.358	18%	0.184	S	C	.	.	S	Bend	trans	-77.5	-24.9	-174.4	-65.9	0	0	0	0	114	L182 A223 F331	L182-V219 HydrophobicContact CB-CG1 3.61Å; L182-V219 HydrophobicContact CD1-CG1 3.69Å; L182-V219 HydrophobicContact CG-CG1 4.27Å; V219-A223 HydrophobicContact CG2-CB 3.89Å; V219-F331 HydrophobicContact CB-CE2 4.24Å; V219-F331 HydrophobicContact CB-CZ 3.94Å; V219-F331 HydrophobicContact CG1-CE2 3.99Å; V219-F331 HydrophobicContact CG1-CZ 4.09Å
220	S	97.6	Very high	98.1	Very high	39 Å²	39	37.8 Å²	37.8	27%	0.273	19%	0.192	S	C	.	.	S	Bend	trans	-156	168	-179	78.5	0	0	0	0	110.3	E222 A223 A224 E342	S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 VanDerWaalsContact CB-OE2 3.23Å; S220-E222 WeakPolarHBondContact CB-OE2 3.39Å; S220-E222 PolarHBondContact O-N 3.3Å; S220-E222 PolarHBondContact OG-OE2 3.45Å; S220-A223 PolarHBondContact O-N 3.48Å; S220-A223 PolarHBondContact OG-N 2.69Å; S220-A224 PolarHBondContact O-N 2.8Å; S220-E342 VanDerWaalsContact C-CG 3.42Å
221	E	97.2	Very high	98.1	Very high	87 Å²	87	35.6 Å²	35.6	41%	0.407	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-39.1	179.9	173.4	168.7	-169.3	0	0	111.2	A223 A224 H225 Y318	E221-A223 PolarHBondContact O-N 3.47Å; E221-A224 WeakPolarHBondContact O-CB 3.3Å; E221-A224 PolarHBondContact O-N 3.06Å; E221-H225 PolarHBondContact O-N 3.15Å; E221-H225 IonicContact OE1-CE1 2.82Å; E221-Y318 HydrophobicContact CG-CE1 4.22Å; E221-Y318 WeakPolarHBondContact CG-OH 3.37Å
222	E	96.9	Very high	98	Very high	123 Å²	123	34.8 Å²	34.8	58%	0.575	18%	0.18	S	C	*	.	H	α-helix	trans	-62.9	-44.9	177.1	-56.6	76.1	-165.7	0	0	111.4	S220 A224 H225 E226	S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 VanDerWaalsContact CB-OE2 3.23Å; S220-E222 WeakPolarHBondContact CB-OE2 3.39Å; S220-E222 PolarHBondContact O-N 3.3Å; S220-E222 PolarHBondContact OG-OE2 3.45Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 3.18Å; E222-H225 PolarHBondContact O-N 2.9Å; E222-E226 PolarHBondContact O-N 3.43Å; E222-E226 VanDerWaalsContact O-N 3.08Å
223	A	97.8	Very high	98	Very high	21 Å²	21	40.3 Å²	40.3	17%	0.174	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-37.9	175.7	0	0	0	0	0	111.7	D218 V219 S220 E221 H225 E226 T227	D218-A223 HydrophobicContact CB-CB 4.27Å; V219-A223 HydrophobicContact CG2-CB 3.89Å; S220-A223 PolarHBondContact O-N 3.48Å; S220-A223 PolarHBondContact OG-N 2.69Å; E221-A223 PolarHBondContact O-N 3.47Å; A223-H225 VanDerWaalsContact C-N 3.31Å; A223-H225 PolarHBondContact O-N 3.34Å; A223-E226 PolarHBondContact O-N 2.82Å; A223-T227 PolarHBondContact O-N 3.03Å; A223-T227 PolarHBondContact O-OG1 3.13Å
224	A	97.9	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-36.1	175.6	0	0	0	0	0	112.2	D218 S220 E221 E222 T227 Y228 Y318 E342	D218-A224 HydrophobicContact CB-CB 3.83Å; S220-A224 PolarHBondContact O-N 2.8Å; E221-A224 WeakPolarHBondContact O-CB 3.3Å; E221-A224 PolarHBondContact O-N 3.06Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 3.18Å; A224-T227 PolarHBondContact O-N 3.21Å; A224-Y228 VanDerWaalsContact O-CB 3.27Å; A224-Y228 WeakPolarHBondContact O-CB 3.44Å; A224-Y228 PolarHBondContact O-N 3.34Å; A224-Y318 HydrophobicContact CB-CD2 4.01Å; A224-Y318 HydrophobicContact CB-CE2 3.51Å; A224-E342 HydrophobicContact CB-CB 3.88Å
225	H	96.9	Very high	98	Very high	61 Å²	61	40.1 Å²	40.1	28%	0.282	21%	0.205	S	C	.	.	H	α-helix	trans	-67	-42.8	173.4	-70.4	160.3	0	0	0	112.4	E221 E222 A223 T227 Y228 E229 Y318	E221-H225 PolarHBondContact O-N 3.15Å; E221-H225 IonicContact OE1-CE1 2.82Å; E222-H225 PolarHBondContact O-N 2.9Å; A223-H225 VanDerWaalsContact C-N 3.31Å; A223-H225 PolarHBondContact O-N 3.34Å; H225-T227 VanDerWaalsContact C-N 3.33Å; H225-T227 PolarHBondContact O-N 3.42Å; H225-Y228 WeakPolarHBondContact O-CB 3.46Å; H225-Y228 PolarHBondContact O-N 2.79Å; H225-Y228 VanDerWaalsContact O-N 3.16Å; H225-E229 WeakPolarHBondContact O-CG 3.35Å; H225-E229 PolarHBondContact O-N 2.87Å; H225-Y318 AromaticContact NE2-CD1 3.74Å; H225-Y318 AromaticContact NE2-CE1 3.81Å
226	E	97.9	Very high	97.8	Very high	139 Å²	139	42.5 Å²	42.5	65%	0.65	23%	0.225	S	C	*	.	H	α-helix	trans	-59	-44.6	173.8	-69	177.3	-175.3	0	0	111.5	E222 A223 E229 S230	E222-E226 PolarHBondContact O-N 3.43Å; E222-E226 VanDerWaalsContact O-N 3.08Å; A223-E226 PolarHBondContact O-N 2.82Å; E226-E229 PolarHBondContact O-N 3.14Å; E226-S230 WeakPolarHBondContact O-CB 3.21Å; E226-S230 PolarHBondContact O-N 3.35Å
227	T	98.4	Very high	97.8	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.08	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-44.3	173.9	-70.6	0	0	0	0	111.6	L185 D218 A223 A224 H225 E229 S230 V231	L185-T227 HydrophobicContact CD2-CG2 3.37Å; D218-T227 WeakPolarHBondContact OD1-CB 3.39Å; D218-T227 PolarHBondContact OD1-OG1 2.86Å; A223-T227 PolarHBondContact O-N 3.03Å; A223-T227 PolarHBondContact O-OG1 3.13Å; A224-T227 PolarHBondContact O-N 3.21Å; H225-T227 VanDerWaalsContact C-N 3.33Å; H225-T227 PolarHBondContact O-N 3.42Å; T227-E229 PolarHBondContact O-N 3.48Å; T227-S230 WeakPolarHBondContact O-CB 3.27Å; T227-S230 PolarHBondContact O-N 2.97Å; T227-V231 HydrophobicContact CG2-CG2 4.5Å; T227-V231 WeakPolarHBondContact O-CG2 3.02Å; T227-V231 PolarHBondContact O-N 3.03Å
228	Y	97.9	Very high	97.8	Very high	6 Å²	6	46.5 Å²	46.5	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-46.1	178.9	-176.3	-81.7	0	0	0	112.1	A224 H225 V231 C232 L260 H262 T316 Y346	A224-Y228 VanDerWaalsContact O-CB 3.27Å; A224-Y228 WeakPolarHBondContact O-CB 3.44Å; A224-Y228 PolarHBondContact O-N 3.34Å; H225-Y228 WeakPolarHBondContact O-CB 3.46Å; H225-Y228 PolarHBondContact O-N 2.79Å; H225-Y228 VanDerWaalsContact O-N 3.16Å; Y228-V231 PolarHBondContact O-N 3.31Å; Y228-C232 WeakPolarHBondContact CE1-SG 3.28Å; Y228-C232 PolarHBondContact O-N 3.46Å; Y228-C232 PolarHBondContact O-SG 3.14Å; Y228-L260 HydrophobicContact CD1-CD2 3.9Å; Y228-L260 HydrophobicContact CE1-CD2 3.72Å; Y228-L260 HydrophobicContact CE1-CG 4.13Å; Y228-L260 HydrophobicContact CE2-CD2 4.48Å; Y228-L260 HydrophobicContact CG-CD2 4.37Å; Y228-H262 AromaticContact CE1-ND1 3.51Å; Y228-H262 AromaticContact CZ-ND1 3.6Å; Y228-H262 WeakPolarHBondContact OH-CB 3.37Å; Y228-H262 PolarHBondContact OH-N 2.88Å; Y228-H262 PolarHBondContact OH-ND1 3.06Å; Y228-T316 PolarHBondContact OH-O 3.35Å; Y228-T316 PolarHBondContact OH-OG1 2.96Å; Y228-Y346 AromaticContact CD2-CE1 3.67Å; Y228-Y346 HydrophobicContact CD2-CE1 3.67Å; Y228-Y346 HydrophobicContact CE2-CE1 4.28Å; Y228-Y346 HydrophobicContact CG-CE1 4.21Å
229	E	96.9	Very high	97.8	Very high	128 Å²	128	46.6 Å²	46.6	60%	0.598	24%	0.241	S	C	*	.	H	α-helix	trans	-62.1	-45.8	175.9	-71.4	-178.6	173.5	0	0	111.2	H225 E226 T227 V231 C232 E233	H225-E229 WeakPolarHBondContact O-CG 3.35Å; H225-E229 PolarHBondContact O-N 2.87Å; E226-E229 PolarHBondContact O-N 3.14Å; T227-E229 PolarHBondContact O-N 3.48Å; E229-V231 VanDerWaalsContact C-N 3.31Å; E229-V231 PolarHBondContact O-N 3.38Å; E229-C232 PolarHBondContact O-N 3.47Å; E229-C232 VanDerWaalsContact O-N 3.11Å; E229-E233 WeakPolarHBondContact O-CG 3.4Å; E229-E233 PolarHBondContact O-N 3.22Å
230	S	98.3	Very high	97.7	Very high	41 Å²	41	47.2 Å²	47.2	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-41.8	177.7	-168.5	0	0	0	0	112.9	E226 T227 A234	E226-S230 WeakPolarHBondContact O-CB 3.21Å; E226-S230 PolarHBondContact O-N 3.35Å; T227-S230 WeakPolarHBondContact O-CB 3.27Å; T227-S230 PolarHBondContact O-N 2.97Å; S230-A234 PolarHBondContact O-N 3.24Å
231	V	98.4	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-40.9	176.3	-179.3	0	0	0	0	111.4	I117 M214 T227 Y228 E229 E233 A234 Y235 Y346	I117-V231 HydrophobicContact CD1-CB 4.4Å; I117-V231 HydrophobicContact CD1-CG2 3.75Å; M214-V231 HydrophobicContact SD-CG2 4.03Å; T227-V231 HydrophobicContact CG2-CG2 4.5Å; T227-V231 WeakPolarHBondContact O-CG2 3.02Å; T227-V231 PolarHBondContact O-N 3.03Å; Y228-V231 PolarHBondContact O-N 3.31Å; E229-V231 VanDerWaalsContact C-N 3.31Å; E229-V231 PolarHBondContact O-N 3.38Å; V231-E233 VanDerWaalsContact C-N 3.34Å; V231-E233 PolarHBondContact O-N 3.33Å; V231-A234 WeakPolarHBondContact O-CB 3.39Å; V231-A234 PolarHBondContact O-N 3.19Å; V231-Y235 HydrophobicContact CG1-CD1 4.11Å; V231-Y235 HydrophobicContact CG1-CE1 3.68Å; V231-Y235 VanDerWaalsContact O-CD1 3.32Å; V231-Y235 WeakPolarHBondContact O-CD1 3.4Å; V231-Y235 PolarHBondContact O-N 3.41Å; V231-Y346 HydrophobicContact CB-CD1 3.77Å; V231-Y346 HydrophobicContact CB-CE1 3.9Å; V231-Y346 HydrophobicContact CB-CG 4.2Å; V231-Y346 HydrophobicContact CG1-CD1 3.47Å; V231-Y346 VanDerWaalsContact CG1-CD1 3.47Å; V231-Y346 HydrophobicContact CG1-CD2 4.29Å; V231-Y346 HydrophobicContact CG1-CE1 4.13Å; V231-Y346 HydrophobicContact CG1-CG 3.58Å; V231-Y346 HydrophobicContact CG2-CD1 4.18Å; V231-Y346 HydrophobicContact CG2-CD2 4.28Å; V231-Y346 HydrophobicContact CG2-CE1 4.09Å; V231-Y346 HydrophobicContact CG2-CE2 4.19Å; V231-Y346 HydrophobicContact CG2-CG 4.3Å
232	C	97.6	Very high	97.6	Very high	7 Å²	7	45.7 Å²	45.7	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-42.6	176.2	-68.4	0	0	0	0	111.8	Y228 E229 A234 Y235 A236 F264	Y228-C232 WeakPolarHBondContact CE1-SG 3.28Å; Y228-C232 PolarHBondContact O-N 3.46Å; Y228-C232 PolarHBondContact O-SG 3.14Å; E229-C232 PolarHBondContact O-N 3.47Å; E229-C232 VanDerWaalsContact O-N 3.11Å; C232-A234 VanDerWaalsContact C-N 3.34Å; C232-A234 PolarHBondContact O-N 2.93Å; C232-Y235 WeakPolarHBondContact O-CB 3.35Å; C232-Y235 PolarHBondContact O-N 2.97Å; C232-A236 PolarHBondContact O-N 2.94Å; C232-F264 HydrophobicContact CB-CZ 4.07Å
233	E	97.6	Very high	97.5	Very high	116 Å²	116	42.5 Å²	42.5	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-39.4	174.2	-70.8	-176	170.2	0	0	112.3	E229 V231 Y235 A236 R237	E229-E233 WeakPolarHBondContact O-CG 3.4Å; E229-E233 PolarHBondContact O-N 3.22Å; V231-E233 VanDerWaalsContact C-N 3.34Å; V231-E233 PolarHBondContact O-N 3.33Å; E233-Y235 VanDerWaalsContact C-N 3.29Å; E233-Y235 PolarHBondContact O-N 2.86Å; E233-A236 PolarHBondContact O-N 3.43Å; E233-R237 WeakPolarHBondContact O-CG 3.24Å; E233-R237 PolarHBondContact O-N 3.17Å
234	A	98.6	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-36.8	174.8	0	0	0	0	0	112.1	M114 I117 S230 V231 C232 L238	M114-A234 HydrophobicContact CE-CB 3.72Å; I117-A234 HydrophobicContact CD1-CB 4.19Å; I117-A234 HydrophobicContact CG2-CB 4.08Å; S230-A234 PolarHBondContact O-N 3.24Å; V231-A234 WeakPolarHBondContact O-CB 3.39Å; V231-A234 PolarHBondContact O-N 3.19Å; C232-A234 VanDerWaalsContact C-N 3.34Å; C232-A234 PolarHBondContact O-N 2.93Å; A234-L238 WeakPolarHBondContact O-CB 3.49Å; A234-L238 PolarHBondContact O-N 3.47Å
235	Y	98.6	Very high	96.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-43.1	175.1	-78	25.5	0	0	0	110.9	M114 K212 V231 C232 E233 R237 L238 F239 F264 T316 Y346 G347 L348	M114-Y235 HydrophobicContact CE-CD1 4.22Å; M114-Y235 HydrophobicContact CE-CE1 4.08Å; M114-Y235 HydrophobicContact SD-CE1 4.48Å; K212-Y235 PolarHBondContact NZ-OH 3.48Å; V231-Y235 HydrophobicContact CG1-CD1 4.11Å; V231-Y235 HydrophobicContact CG1-CE1 3.68Å; V231-Y235 VanDerWaalsContact O-CD1 3.32Å; V231-Y235 WeakPolarHBondContact O-CD1 3.4Å; V231-Y235 PolarHBondContact O-N 3.41Å; C232-Y235 WeakPolarHBondContact O-CB 3.35Å; C232-Y235 PolarHBondContact O-N 2.97Å; E233-Y235 VanDerWaalsContact C-N 3.29Å; E233-Y235 PolarHBondContact O-N 2.86Å; Y235-R237 VanDerWaalsContact C-N 3.34Å; Y235-R237 PolarHBondContact O-N 2.76Å; Y235-L238 WeakPolarHBondContact O-CB 3.28Å; Y235-L238 PolarHBondContact O-N 3.19Å; Y235-F239 WeakPolarHBondContact O-CD2 3.47Å; Y235-F239 PolarHBondContact O-N 2.76Å; Y235-F264 HydrophobicContact CD2-CD1 4.41Å; Y235-F264 AromaticContact CD2-CD2 3.71Å; Y235-F264 HydrophobicContact CD2-CD2 3.71Å; Y235-F264 HydrophobicContact CD2-CE1 4.35Å; Y235-F264 AromaticContact CD2-CE2 3.65Å; Y235-F264 HydrophobicContact CD2-CE2 3.65Å; Y235-F264 HydrophobicContact CD2-CG 4.1Å; Y235-F264 AromaticContact CD2-CZ 3.98Å; Y235-F264 HydrophobicContact CD2-CZ 3.98Å; Y235-F264 HydrophobicContact CE2-CD2 4.45Å; Y235-F264 HydrophobicContact CE2-CE2 4.47Å; Y235-F264 HydrophobicContact CG-CE1 4.44Å; Y235-F264 HydrophobicContact CG-CE2 4.36Å; Y235-F264 HydrophobicContact CG-CZ 4.24Å; Y235-T316 HydrophobicContact CD2-CG2 4.08Å; Y235-T316 HydrophobicContact CE2-CG2 3.74Å; Y235-Y346 WeakPolarHBondContact OH-CB 3.42Å; Y235-Y346 PolarHBondContact OH-O 2.87Å; Y235-G347 WeakPolarHBondContact CE2-O 3.4Å; Y235-G347 PolarHBondContact OH-N 3.01Å; Y235-G347 PolarHBondContact OH-O 3.46Å; Y235-L348 HydrophobicContact CD1-CD1 4.16Å; Y235-L348 HydrophobicContact CD1-CG 4.47Å; Y235-L348 HydrophobicContact CD2-CD2 3.61Å; Y235-L348 HydrophobicContact CD2-CG 4.15Å; Y235-L348 HydrophobicContact CE1-CD1 3.83Å; Y235-L348 HydrophobicContact CE1-CD2 4.43Å; Y235-L348 HydrophobicContact CE1-CG 3.99Å; Y235-L348 HydrophobicContact CE2-CD1 4.31Å; Y235-L348 HydrophobicContact CE2-CD2 3.49Å; Y235-L348 VanDerWaalsContact CE2-CD2 3.49Å; Y235-L348 HydrophobicContact CE2-CG 3.61Å; Y235-L348 HydrophobicContact CG-CD2 4.12Å; Y235-L348 VanDerWaalsContact CZ-CG 3.5Å
236	A	96.2	Very high	96.6	Very high	52 Å²	52	47.4 Å²	47.4	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-44.4	175.4	0	0	0	0	0	111.7	C232 E233 F239 A240	C232-A236 PolarHBondContact O-N 2.94Å; E233-A236 PolarHBondContact O-N 3.43Å; A236-F239 PolarHBondContact O-N 2.79Å; A236-A240 WeakPolarHBondContact O-CB 3.32Å; A236-A240 PolarHBondContact O-N 3.32Å
237	R	97.6	Very high	96.2	Very high	83 Å²	83	42 Å²	42	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-43.8	174.3	-72.2	-168.6	-55.7	-92.4	3.9	112.4	E113 E233 Y235 F239 A240 R241	E113-R237 WeakPolarHBondContact OE2-CB 3.38Å; E113-R237 IonicContact OE2-CZ 3.74Å; E113-R237 IonicContact OE2-NE 3.17Å; E113-R237 PolarHBondContact OE2-NE 3.38Å; E113-R237 IonicContact OE2-NH2 3.91Å; E233-R237 WeakPolarHBondContact O-CG 3.24Å; E233-R237 PolarHBondContact O-N 3.17Å; Y235-R237 VanDerWaalsContact C-N 3.34Å; Y235-R237 PolarHBondContact O-N 2.76Å; R237-F239 PolarHBondContact O-N 3.07Å; R237-A240 PolarHBondContact O-N 2.93Å; R237-R241 WeakPolarHBondContact O-CB 3.39Å; R237-R241 WeakPolarHBondContact O-CG 3.44Å; R237-R241 PolarHBondContact O-N 3.47Å
238	L	98.6	Very high	95.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-54	175.8	172.9	65.2	0	0	0	111.1	V109 I110 E113 A234 Y235 A240 R241 L242 L348	V109-L238 HydrophobicContact CB-CD1 4.21Å; V109-L238 HydrophobicContact CG1-CD1 3.51Å; I110-L238 HydrophobicContact CG1-CD1 4Å; I110-L238 HydrophobicContact CG1-CD2 3.78Å; E113-L238 HydrophobicContact CG-CB 4.1Å; E113-L238 HydrophobicContact CG-CD1 4.47Å; A234-L238 WeakPolarHBondContact O-CB 3.49Å; A234-L238 PolarHBondContact O-N 3.47Å; Y235-L238 WeakPolarHBondContact O-CB 3.28Å; Y235-L238 PolarHBondContact O-N 3.19Å; L238-A240 VanDerWaalsContact C-N 3.35Å; L238-A240 PolarHBondContact O-N 3.28Å; L238-R241 PolarHBondContact O-N 3.23Å; L238-L242 HydrophobicContact CD1-CD1 4.12Å; L238-L242 HydrophobicContact CD1-CG 4.43Å; L238-L242 HydrophobicContact CG-CD1 4.23Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 3.04Å; L238-L348 HydrophobicContact CD2-CD1 3.49Å; L238-L348 VanDerWaalsContact CD2-CD1 3.49Å; L238-L348 HydrophobicContact CD2-CD2 4.46Å
239	F	97.9	Very high	95.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-36.4	-178	-66.5	-60.9	0	0	0	112.4	Y235 A236 R237 L242 G243 L244 C246 F264 V313 L348 I353	Y235-F239 WeakPolarHBondContact O-CD2 3.47Å; Y235-F239 PolarHBondContact O-N 2.76Å; A236-F239 PolarHBondContact O-N 2.79Å; R237-F239 PolarHBondContact O-N 3.07Å; F239-L242 CarbonylContact O-C 3.55Å; F239-L242 PolarHBondContact O-N 3.24Å; F239-G243 PolarHBondContact O-N 3.29Å; F239-G243 VanDerWaalsContact O-N 3.15Å; F239-L244 HydrophobicContact CB-CB 4.49Å; F239-L244 HydrophobicContact CD1-CB 4.5Å; F239-L244 HydrophobicContact CD1-CD1 4.29Å; F239-L244 PolarHBondContact O-N 3.44Å; F239-C246 HydrophobicContact CB-CB 3.6Å; F239-C246 HydrophobicContact CD1-CB 4.17Å; F239-C246 HydrophobicContact CD2-CB 3.61Å; F239-C246 HydrophobicContact CE2-CB 4.33Å; F239-C246 HydrophobicContact CG-CB 3.52Å; F239-F264 HydrophobicContact CD2-CD1 4.17Å; F239-F264 HydrophobicContact CE2-CB 3.89Å; F239-F264 AromaticContact CE2-CD1 3.9Å; F239-F264 HydrophobicContact CE2-CD1 3.9Å; F239-F264 HydrophobicContact CE2-CG 4.14Å; F239-F264 HydrophobicContact CZ-CB 4.46Å; F239-V313 HydrophobicContact CE1-CB 4.24Å; F239-V313 HydrophobicContact CE1-CG2 3.64Å; F239-V313 HydrophobicContact CE2-CG2 4.2Å; F239-V313 HydrophobicContact CZ-CB 4.08Å; F239-V313 HydrophobicContact CZ-CG2 3.39Å; F239-L348 HydrophobicContact CE2-CD2 4.15Å; F239-L348 HydrophobicContact CZ-CD2 3.77Å; F239-I353 HydrophobicContact CE1-CD1 4.11Å; F239-I353 HydrophobicContact CE1-CG1 4.15Å; F239-I353 HydrophobicContact CZ-CD1 4.28Å
240	A	95.9	Very high	94.5	Very high	72 Å²	72	43.9 Å²	43.9	60%	0.595	24%	0.239	S	C	*	.	H	α-helix	trans	-61.4	-44.1	173.2	0	0	0	0	0	112.2	A236 R237 L238 L242 G243	A236-A240 WeakPolarHBondContact O-CB 3.32Å; A236-A240 PolarHBondContact O-N 3.32Å; R237-A240 PolarHBondContact O-N 2.93Å; L238-A240 VanDerWaalsContact C-N 3.35Å; L238-A240 PolarHBondContact O-N 3.28Å; A240-L242 VanDerWaalsContact C-N 3.29Å; A240-L242 PolarHBondContact O-N 3.41Å; A240-G243 WeakPolarHBondContact O-CA 3.44Å; A240-G243 PolarHBondContact O-N 2.88Å
241	R	96.8	Very high	93.7	Very high	90 Å²	90	42.5 Å²	42.5	34%	0.34	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-33.8	175.2	-73.5	179.2	67.8	-162.6	-3.1	112.7	E113 R237 L238 G243 L372	E113-R241 WeakPolarHBondContact OE1-CD 3.33Å; E113-R241 IonicContact OE1-CZ 3.96Å; E113-R241 IonicContact OE1-NE 4Å; E113-R241 IonicContact OE1-NH1 2.89Å; E113-R241 PolarHBondContact OE1-NH1 3.03Å; R237-R241 WeakPolarHBondContact O-CB 3.39Å; R237-R241 WeakPolarHBondContact O-CG 3.44Å; R237-R241 PolarHBondContact O-N 3.47Å; L238-R241 PolarHBondContact O-N 3.23Å; R241-G243 PolarHBondContact O-N 2.95Å; R241-L372 HydrophobicContact CB-CD1 4.06Å; R241-L372 WeakPolarHBondContact O-CD1 3.35Å
242	L	97.1	Very high	92.5	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.1	172.7	-63.5	175.1	0	0	0	112.8	L106 L238 F239 A240 L244 I353 P370 L372 I373	L106-L242 HydrophobicContact CD1-CD1 3.78Å; L106-L242 HydrophobicContact CD1-CD2 4.34Å; L238-L242 HydrophobicContact CD1-CD1 4.12Å; L238-L242 HydrophobicContact CD1-CG 4.43Å; L238-L242 HydrophobicContact CG-CD1 4.23Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 3.04Å; F239-L242 CarbonylContact O-C 3.55Å; F239-L242 PolarHBondContact O-N 3.24Å; A240-L242 VanDerWaalsContact C-N 3.29Å; A240-L242 PolarHBondContact O-N 3.41Å; L242-L244 HydrophobicContact CB-CB 4.48Å; L242-L244 HydrophobicContact CB-CD1 3.91Å; L242-L244 HydrophobicContact CB-CG 3.92Å; L242-L244 HydrophobicContact CD1-CD1 4.1Å; L242-L244 PolarHBondContact O-N 3.38Å; L242-I353 HydrophobicContact CD1-CG2 4.25Å; L242-P370 HydrophobicContact CB-CB 4.27Å; L242-P370 HydrophobicContact CD2-CB 4.25Å; L242-P370 VanDerWaalsContact O-CB 3.3Å; L242-P370 WeakPolarHBondContact O-CB 3.42Å; L242-L372 HydrophobicContact CD2-CB 4.44Å; L242-I373 HydrophobicContact CD2-CD1 4.35Å; L242-I373 HydrophobicContact CD2-CG2 3.59Å
243	G	94.9	Very high	91.3	Very high	57 Å²	57	48.9 Å²	48.9	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	22	-175	0	0	0	0	0	113.3	F239 A240 R241	F239-G243 PolarHBondContact O-N 3.29Å; F239-G243 VanDerWaalsContact O-N 3.15Å; A240-G243 WeakPolarHBondContact O-CA 3.44Å; A240-G243 PolarHBondContact O-N 2.88Å; R241-G243 PolarHBondContact O-N 2.95Å
244	L	94.1	Very high	90	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.047	26%	0.261	C	S	.	.			trans	-96.1	128.6	179.7	-64.8	175	0	0	0	109.6	F239 L242 C246 L266 I353 A357 V360 M361 P370	F239-L244 HydrophobicContact CB-CB 4.49Å; F239-L244 HydrophobicContact CD1-CB 4.5Å; F239-L244 HydrophobicContact CD1-CD1 4.29Å; F239-L244 PolarHBondContact O-N 3.44Å; L242-L244 HydrophobicContact CB-CB 4.48Å; L242-L244 HydrophobicContact CB-CD1 3.91Å; L242-L244 HydrophobicContact CB-CG 3.92Å; L242-L244 HydrophobicContact CD1-CD1 4.1Å; L242-L244 PolarHBondContact O-N 3.38Å; L244-C246 VanDerWaalsContact C-N 3.28Å; L244-C246 PolarHBondContact O-N 3.47Å; L244-L266 HydrophobicContact CB-CD2 3.9Å; L244-L266 HydrophobicContact CD1-CD1 4.29Å; L244-I353 HydrophobicContact CD1-CG2 4.49Å; L244-A357 HydrophobicContact CD1-CB 4.09Å; L244-A357 HydrophobicContact CD2-CB 3.99Å; L244-V360 HydrophobicContact CD2-CG2 3.89Å; L244-M361 HydrophobicContact CD2-CG 4.13Å; L244-M361 HydrophobicContact CD2-SD 3.78Å; L244-P370 HydrophobicContact CD2-CG 4.38Å; L244-P370 HydrophobicContact CG-CG 4.48Å
245	R	88.1	Confident	88.2	Confident	141 Å²	141	51.8 Å²	51.8	53%	0.532	29%	0.294	S	S	.	.			trans	-81.1	78.7	175.6	-63.2	-172.2	-173.1	-173.5	5.6	109.9	P267	R245-P267 VanDerWaalsContact O-CD 3.27Å; R245-P267 WeakPolarHBondContact O-CD 3.21Å
246	C	91.6	Very high	86.6	Confident	34 Å²	34	53.6 Å²	53.6	23%	0.23	30%	0.304	C	S	.	.			trans	-84	141	173.8	-165.5	0	0	0	0	110.4	F239 L244 Q265 L266	F239-C246 HydrophobicContact CB-CB 3.6Å; F239-C246 HydrophobicContact CD1-CB 4.17Å; F239-C246 HydrophobicContact CD2-CB 3.61Å; F239-C246 HydrophobicContact CE2-CB 4.33Å; F239-C246 HydrophobicContact CG-CB 3.52Å; L244-C246 VanDerWaalsContact C-N 3.28Å; L244-C246 PolarHBondContact O-N 3.47Å; C246-Q265 WeakPolarHBondContact CA-O 3.15Å; C246-Q265 PolarHBondContact SG-N 3.08Å; C246-L266 HydrophobicContact CB-CD2 3.87Å
247	V	88.7	Confident	84.9	Confident	25 Å²	25	51.8 Å²	51.8	15%	0.152	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.7	173.7	-159.3	0	0	0	0	109	Q265 P267 A284	V247-Q265 PolarHBondContact N-O 3.31Å; V247-Q265 PolarHBondContact O-N 2.82Å; V247-P267 HydrophobicContact CG2-CG 4.1Å; V247-A284 HydrophobicContact CB-CB 4.17Å; V247-A284 HydrophobicContact CG1-CB 3.37Å
248	Q	89.4	Confident	83.5	Confident	75 Å²	75	49.3 Å²	49.3	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.8	172.5	-176.3	180	-3.7	0	0	108.2	H262 E263 F264	Q248-H262 HydrophobicContact CG-CB 3.9Å; Q248-H262 PolarHBondContact NE2-CD2 2.95Å; Q248-H262 VanDerWaalsContact NE2-CG 3.3Å; Q248-E263 CarbonylContact C-O 3.55Å; Q248-E263 WeakPolarHBondContact CA-O 3.49Å; Q248-F264 HydrophobicContact CB-CD1 4.48Å; Q248-F264 HydrophobicContact CB-CE1 4.19Å; Q248-F264 HydrophobicContact CB-CZ 4.49Å; Q248-F264 HydrophobicContact CG-CE1 4.25Å; Q248-F264 HydrophobicContact CG-CE2 4.39Å; Q248-F264 HydrophobicContact CG-CZ 4.05Å
249	V	86.7	Confident	82.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.2	178.9	-57.8	0	0	0	0	109.6	H262 E263 Q265 L275 A284 N286	V249-H262 CarbonylContact O-C 3.56Å; V249-H262 WeakPolarHBondContact O-CA 3.47Å; V249-E263 HydrophobicContact CG2-CB 3.76Å; V249-E263 PolarHBondContact N-O 2.85Å; V249-E263 PolarHBondContact O-N 3.2Å; V249-Q265 HydrophobicContact CG2-CG 3.71Å; V249-L275 HydrophobicContact CG1-CD2 4.31Å; V249-L275 HydrophobicContact CG2-CD2 4.39Å; V249-A284 HydrophobicContact CG1-CB 3.93Å; V249-N286 HydrophobicContact CG2-CB 4.26Å
250	Q	82.6	Confident	81.8	Confident	112 Å²	112	56.7 Å²	56.7	52%	0.523	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	142	170.3	-170.6	170.8	-0.2	0	0	109.2	T289	Q250-T289 VanDerWaalsContact O-CG2 3.31Å; Q250-T289 WeakPolarHBondContact O-CG2 3.17Å
251	A	80.3	Confident	81.6	Confident	11 Å²	11	53.4 Å²	53.4	9%	0.091	31%	0.306	C	S	.	.			trans	-136.9	167.9	-173.5	0	0	0	0	0	112.3	S261 E263	A251-S261 PolarHBondContact N-O 2.9Å; A251-S261 WeakPolarHBondContact O-CB 3.48Å; A251-E263 HydrophobicContact CB-CB 4.22Å; A251-E263 VanDerWaalsContact CB-CD 3.5Å; A251-E263 HydrophobicContact CB-CG 3.53Å; A251-E263 WeakPolarHBondContact CB-OE1 3.45Å
252	D	74.6	Confident	81.3	Confident	110 Å²	110	51 Å²	51	59%	0.588	30%	0.299	S	S	*	.			trans	-72.3	157.3	170.6	-171.9	22.2	0	0	0	110.9	S261	D252-S261 WeakPolarHBondContact O-CB 3.33Å; D252-S261 PolarHBondContact O-OG 2.8Å
253	T	71.6	Confident	81.2	Confident	32 Å²	32	51.8 Å²	51.8	20%	0.196	30%	0.302	C	S	.	.			trans	-87.4	-19.7	178.4	58.2	0	0	0	0	112.5	G257	T253-G257 PolarHBondContact O-N 2.87Å
254	G	70.3	Confident	81.2	Confident	45 Å²	45	49.2 Å²	49.2	46%	0.464	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	50.7	-147.8	174.2	0	0	0	0	0	114.6	I256 G257	G254-I256 VanDerWaalsContact C-N 3.27Å; G254-I256 PolarHBondContact O-N 3.15Å; G254-G257 PolarHBondContact O-N 2.99Å
255	N	60.8	Low	81.2	Confident	131 Å²	131	48.8 Å²	48.8	70%	0.701	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-72.1	-19.7	-179.2	-70.1	-24.3	0	0	0	113.8	G257 K322	N255-G257 PolarHBondContact O-N 3.46Å; N255-K322 PolarHBondContact O-NZ 2.94Å; N255-K322 VanDerWaalsContact O-NZ 3.13Å
256	I	64.2	Low	81.5	Confident	39 Å²	39	42.2 Å²	42.2	20%	0.2	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-65.5	-34	176.1	-70.8	172.6	0	0	0	109.5	G254 F317 L319 K322 Y323	G254-I256 VanDerWaalsContact C-N 3.27Å; G254-I256 PolarHBondContact O-N 3.15Å; I256-F317 HydrophobicContact CB-CD1 4.34Å; I256-F317 HydrophobicContact CB-CE1 4.24Å; I256-F317 HydrophobicContact CB-CZ 4.38Å; I256-F317 HydrophobicContact CD1-CD2 4.11Å; I256-F317 HydrophobicContact CD1-CE1 4.27Å; I256-F317 HydrophobicContact CD1-CE2 3.48Å; I256-F317 VanDerWaalsContact CD1-CE2 3.48Å; I256-F317 HydrophobicContact CD1-CZ 3.55Å; I256-F317 HydrophobicContact CG1-CZ 4.5Å; I256-F317 HydrophobicContact CG2-CB 4.21Å; I256-F317 HydrophobicContact CG2-CD1 4.03Å; I256-F317 HydrophobicContact CG2-CD2 4.09Å; I256-F317 HydrophobicContact CG2-CE1 4.37Å; I256-F317 HydrophobicContact CG2-CE2 4.43Å; I256-F317 HydrophobicContact CG2-CG 3.86Å; I256-L319 HydrophobicContact CG2-CD2 3.37Å; I256-K322 WeakPolarHBondContact O-CD 3.01Å; I256-K322 PolarHBondContact O-NZ 3.24Å; I256-Y323 PolarHBondContact O-OH 3.2Å
257	G	61.5	Low	81.4	Confident	13 Å²	13	43 Å²	43	13%	0.134	25%	0.253	C	S	.	.			trans	81	172.6	-179.9	0	0	0	0	0	112.5	T253 G254 N255	T253-G257 PolarHBondContact O-N 2.87Å; G254-G257 PolarHBondContact O-N 2.99Å; N255-G257 PolarHBondContact O-N 3.46Å
258	G	68.6	Low	81.5	Confident	32 Å²	32	42.4 Å²	42.4	33%	0.33	25%	0.251	S	S	.	.			trans	130.7	-173	-178.9	0	0	0	0	0	113.6	Y318	G258-Y318 WeakPolarHBondContact CA-O 3.17Å
259	T	74.8	Confident	81.4	Confident	110 Å²	110	44.7 Å²	44.7	68%	0.675	27%	0.265	S	S	*	.	S	Bend	trans	-121.9	-16.9	174.5	55.2	0	0	0	0	113.7	Y318	T259-Y318 PolarHBondContact N-O 3.31Å; T259-Y318 VanDerWaalsContact OG1-CD1 3.29Å; T259-Y318 WeakPolarHBondContact OG1-CD1 3.38Å
260	L	85.1	Confident	81.5	Confident	48 Å²	48	46.6 Å²	46.6	25%	0.251	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.1	-179.5	-177.3	65.9	0	0	0	110.8	Y228 Y318	Y228-L260 HydrophobicContact CD1-CD2 3.9Å; Y228-L260 HydrophobicContact CE1-CD2 3.72Å; Y228-L260 HydrophobicContact CE1-CG 4.13Å; Y228-L260 HydrophobicContact CE2-CD2 4.48Å; Y228-L260 HydrophobicContact CG-CD2 4.37Å; L260-Y318 PolarHBondContact O-N 2.84Å
261	S	91.2	Very high	81.7	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	135	-175.1	175.8	0	0	0	0	111.3	A251 D252 H315 T316 F317	A251-S261 PolarHBondContact N-O 2.9Å; A251-S261 WeakPolarHBondContact O-CB 3.48Å; D252-S261 WeakPolarHBondContact O-CB 3.33Å; D252-S261 PolarHBondContact O-OG 2.8Å; S261-H315 PolarHBondContact OG-NE2 3.14Å; S261-T316 CarbonylContact C-O 3.54Å; S261-T316 VanDerWaalsContact CA-O 3.27Å; S261-T316 WeakPolarHBondContact CA-O 3.43Å; S261-F317 WeakPolarHBondContact OG-CE1 3.45Å
262	H	92.1	Very high	82	Confident	39 Å²	39	44.9 Å²	44.9	18%	0.181	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.9	174.6	-69.5	93.3	0	0	0	111.5	Y228 Q248 V249 H315 T316	Y228-H262 AromaticContact CE1-ND1 3.51Å; Y228-H262 AromaticContact CZ-ND1 3.6Å; Y228-H262 WeakPolarHBondContact OH-CB 3.37Å; Y228-H262 PolarHBondContact OH-N 2.88Å; Y228-H262 PolarHBondContact OH-ND1 3.06Å; Q248-H262 HydrophobicContact CG-CB 3.9Å; Q248-H262 PolarHBondContact NE2-CD2 2.95Å; Q248-H262 VanDerWaalsContact NE2-CG 3.3Å; V249-H262 CarbonylContact O-C 3.56Å; V249-H262 WeakPolarHBondContact O-CA 3.47Å; H262-H315 WeakPolarHBondContact O-CA 3.47Å; H262-H315 PolarHBondContact O-CD2 2.88Å; H262-T316 PolarHBondContact N-O 2.81Å; H262-T316 PolarHBondContact O-N 3.41Å; H262-T316 PolarHBondContact O-OG1 2.71Å
263	E	94.1	Very high	82.5	Confident	21 Å²	21	41.7 Å²	41.7	10%	0.098	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	146.1	172.1	-73.4	165.7	-168.9	0	0	110.6	Q248 V249 A251 Q265 E312 G314 H315	Q248-E263 CarbonylContact C-O 3.55Å; Q248-E263 WeakPolarHBondContact CA-O 3.49Å; V249-E263 HydrophobicContact CG2-CB 3.76Å; V249-E263 PolarHBondContact N-O 2.85Å; V249-E263 PolarHBondContact O-N 3.2Å; A251-E263 HydrophobicContact CB-CB 4.22Å; A251-E263 VanDerWaalsContact CB-CD 3.5Å; A251-E263 HydrophobicContact CB-CG 3.53Å; A251-E263 WeakPolarHBondContact CB-OE1 3.45Å; E263-Q265 HydrophobicContact CB-CG 4.13Å; E263-Q265 PolarHBondContact OE2-NE2 2.89Å; E263-E312 HydrophobicContact CB-CG 4.33Å; E263-E312 HydrophobicContact CG-CG 4.13Å; E263-G314 CarbonylContact C-O 3.58Å; E263-G314 WeakPolarHBondContact CA-O 3.39Å; E263-H315 VanDerWaalsContact CG-CE1 3.45Å; E263-H315 WeakPolarHBondContact CG-CE1 3.34Å; E263-H315 IonicContact OE1-CE1 2.82Å; E263-H315 PolarHBondContact OE1-CE1 2.79Å
264	F	95.3	Very high	83.3	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.5	174.5	-73.5	-97.7	0	0	0	107.7	C232 Y235 F239 Q248 V313 G314 T316	C232-F264 HydrophobicContact CB-CZ 4.07Å; Y235-F264 HydrophobicContact CD2-CD1 4.41Å; Y235-F264 AromaticContact CD2-CD2 3.71Å; Y235-F264 HydrophobicContact CD2-CD2 3.71Å; Y235-F264 HydrophobicContact CD2-CE1 4.35Å; Y235-F264 AromaticContact CD2-CE2 3.65Å; Y235-F264 HydrophobicContact CD2-CE2 3.65Å; Y235-F264 HydrophobicContact CD2-CG 4.1Å; Y235-F264 AromaticContact CD2-CZ 3.98Å; Y235-F264 HydrophobicContact CD2-CZ 3.98Å; Y235-F264 HydrophobicContact CE2-CD2 4.45Å; Y235-F264 HydrophobicContact CE2-CE2 4.47Å; Y235-F264 HydrophobicContact CG-CE1 4.44Å; Y235-F264 HydrophobicContact CG-CE2 4.36Å; Y235-F264 HydrophobicContact CG-CZ 4.24Å; F239-F264 HydrophobicContact CD2-CD1 4.17Å; F239-F264 HydrophobicContact CE2-CB 3.89Å; F239-F264 AromaticContact CE2-CD1 3.9Å; F239-F264 HydrophobicContact CE2-CD1 3.9Å; F239-F264 HydrophobicContact CE2-CG 4.14Å; F239-F264 HydrophobicContact CZ-CB 4.46Å; Q248-F264 HydrophobicContact CB-CD1 4.48Å; Q248-F264 HydrophobicContact CB-CE1 4.19Å; Q248-F264 HydrophobicContact CB-CZ 4.49Å; Q248-F264 HydrophobicContact CG-CE1 4.25Å; Q248-F264 HydrophobicContact CG-CE2 4.39Å; Q248-F264 HydrophobicContact CG-CZ 4.05Å; F264-V313 HydrophobicContact CB-CG2 4.35Å; F264-V313 WeakPolarHBondContact O-CG2 3.27Å; F264-V313 PolarHBondContact O-N 2.99Å; F264-G314 PolarHBondContact N-O 2.82Å; F264-G314 PolarHBondContact O-N 2.77Å; F264-T316 HydrophobicContact CD2-CG2 4.47Å; F264-T316 HydrophobicContact CE2-CG2 3.79Å
265	Q	94.3	Very high	84.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.3	-166.8	-67.5	-74.8	-5.9	0	0	111.2	C246 V247 V249 E263 D273 L275 I311 E312	C246-Q265 WeakPolarHBondContact CA-O 3.15Å; C246-Q265 PolarHBondContact SG-N 3.08Å; V247-Q265 PolarHBondContact N-O 3.31Å; V247-Q265 PolarHBondContact O-N 2.82Å; V249-Q265 HydrophobicContact CG2-CG 3.71Å; E263-Q265 HydrophobicContact CB-CG 4.13Å; E263-Q265 PolarHBondContact OE2-NE2 2.89Å; Q265-D273 PolarHBondContact NE2-OD2 2.81Å; Q265-D273 PolarHBondContact OE1-OD2 3.24Å; Q265-L275 HydrophobicContact CB-CD1 3.81Å; Q265-L275 HydrophobicContact CB-CD2 4.36Å; Q265-L275 HydrophobicContact CG-CD1 4.32Å; Q265-L275 HydrophobicContact CG-CD2 3.94Å; Q265-I311 PolarHBondContact OE1-O 3.07Å; Q265-E312 VanDerWaalsContact OE1-CA 3.3Å
266	L	92.9	Very high	85.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.4	168.5	-68.9	176.5	0	0	0	109.9	L244 C246 A268 G310 I311 V313 A356 V360	L244-L266 HydrophobicContact CB-CD2 3.9Å; L244-L266 HydrophobicContact CD1-CD1 4.29Å; C246-L266 HydrophobicContact CB-CD2 3.87Å; L266-A268 PolarHBondContact O-N 2.77Å; L266-G310 WeakPolarHBondContact O-CA 3.37Å; L266-I311 HydrophobicContact CB-CB 4.49Å; L266-I311 PolarHBondContact N-O 3.25Å; L266-I311 PolarHBondContact O-N 3.17Å; L266-V313 HydrophobicContact CD1-CG1 3.71Å; L266-V313 HydrophobicContact CD1-CG2 4.27Å; L266-V313 HydrophobicContact CG-CG1 4.12Å; L266-V313 HydrophobicContact CG-CG2 3.95Å; L266-A356 HydrophobicContact CD1-CB 3.68Å; L266-V360 HydrophobicContact CB-CG1 4.45Å
267	P	90.1	Very high	86.1	Confident	50 Å²	50	38.4 Å²	38.4	33%	0.325	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	120.2	178.6	-25.1	35.2	0	0	0	112.2	R245 V247 K309	R245-P267 VanDerWaalsContact O-CD 3.27Å; R245-P267 WeakPolarHBondContact O-CD 3.21Å; V247-P267 HydrophobicContact CG2-CG 4.1Å; P267-K309 CarbonylContact C-O 3.56Å; P267-K309 VanDerWaalsContact CA-O 3.31Å; P267-K309 WeakPolarHBondContact CA-O 3.31Å
268	A	90.2	Very high	87	Confident	14 Å²	14	38.2 Å²	38.2	12%	0.116	21%	0.209	C	C	.	.			trans	-159.9	140.4	178	0	0	0	0	0	111.3	L266 I270 G271 K309 I311 V360	L266-A268 PolarHBondContact O-N 2.77Å; A268-I270 HydrophobicContact CB-CG1 4.47Å; A268-I270 PolarHBondContact O-N 3.2Å; A268-I270 VanDerWaalsContact O-N 3.13Å; A268-G271 WeakPolarHBondContact O-CA 3.48Å; A268-G271 PolarHBondContact O-N 2.9Å; A268-K309 PolarHBondContact N-O 3.39Å; A268-K309 CarbonylContact O-C 3.54Å; A268-K309 WeakPolarHBondContact O-CB 3.28Å; A268-K309 VanDerWaalsContact O-O 3.12Å; A268-I311 HydrophobicContact CB-CD1 3.66Å; A268-I311 HydrophobicContact CB-CG1 3.97Å; A268-V360 HydrophobicContact CB-CG1 4.04Å
269	D	87.7	Confident	87.6	Confident	122 Å²	122	39.5 Å²	39.5	65%	0.652	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.6	-176.9	-65.8	-20.2	0	0	0	114.4	K309	D269-K309 WeakPolarHBondContact O-CD 3.48Å
270	I	89.6	Confident	87.9	Confident	42 Å²	42	39 Å²	39	22%	0.215	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.8	176.9	65.2	73.2	0	0	0	112.7	C73 L204 A268 I311 E359	C73-I270 HydrophobicContact CB-CG2 4.39Å; L204-I270 HydrophobicContact CD1-CD1 3.65Å; A268-I270 HydrophobicContact CB-CG1 4.47Å; A268-I270 PolarHBondContact O-N 3.2Å; A268-I270 VanDerWaalsContact O-N 3.13Å; I270-I311 HydrophobicContact CD1-CD1 3.44Å; I270-I311 VanDerWaalsContact CD1-CD1 3.44Å; I270-I311 HydrophobicContact CD1-CG1 3.57Å; I270-I311 HydrophobicContact CG1-CD1 4.34Å; I270-E359 HydrophobicContact CD1-CG 4.19Å; I270-E359 HydrophobicContact CG1-CG 3.74Å
271	G	87.1	Confident	87.6	Confident	5 Å²	5	38.3 Å²	38.3	5%	0.052	22%	0.219	C	C	.	.			trans	-56.1	142.6	179.2	0	0	0	0	0	111.7	A268 K309 G310	A268-G271 WeakPolarHBondContact O-CA 3.48Å; A268-G271 PolarHBondContact O-N 2.9Å; G271-K309 WeakPolarHBondContact O-CD 3.26Å; G271-G310 CarbonylContact C-O 3.55Å; G271-G310 WeakPolarHBondContact CA-O 3.32Å
272	E	85.7	Confident	86.8	Confident	81 Å²	81	42.8 Å²	42.8	38%	0.379	25%	0.25	S	C	.	.	S	Bend	trans	-86.2	-26.5	-179.1	-55.9	-164.2	111	0	0	111.1	R200 F201 R205 G310	R200-E272 IonicContact CZ-OE1 3.8Å; R200-E272 IonicContact NE-OE1 3.99Å; R200-E272 PolarHBondContact NE-OE1 3.03Å; R200-E272 IonicContact NH2-OE1 3.48Å; R200-E272 PolarHBondContact NH2-OE1 3Å; F201-E272 HydrophobicContact CE2-CG 4.26Å; R205-E272 VanDerWaalsContact CD-OE2 3.27Å; R205-E272 WeakPolarHBondContact CD-OE2 3.5Å; R205-E272 IonicContact CZ-OE2 3.83Å; R205-E272 IonicContact NE-OE2 2.66Å; R205-E272 IonicContact NH1-OE1 3.67Å; R205-E272 PolarHBondContact NH1-OE1 3.27Å; R205-E272 IonicContact NH1-OE2 3.09Å; R205-E272 PolarHBondContact NH1-OE2 3.15Å; E272-G310 PolarHBondContact N-O 2.74Å
273	D	86.4	Confident	86.1	Confident	43 Å²	43	42.7 Å²	42.7	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.6	-178	-53.9	-41.2	0	0	0	110.7	Q265 L275 K309 G310	Q265-D273 PolarHBondContact NE2-OD2 2.81Å; Q265-D273 PolarHBondContact OE1-OD2 3.24Å; D273-L275 HydrophobicContact CB-CD2 4.4Å; D273-K309 CarbonylContact O-C 3.5Å; D273-K309 WeakPolarHBondContact O-CA 3.42Å; D273-G310 PolarHBondContact N-O 3.48Å; D273-G310 PolarHBondContact O-N 2.67Å
274	R	86.9	Confident	85.2	Confident	121 Å²	121	42.1 Å²	42.1	46%	0.457	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.3	176.7	-64.7	177.4	72.6	-157	0.7	109.1	M287 E307	R274-M287 HydrophobicContact CB-CB 4.16Å; R274-M287 HydrophobicContact CB-CE 4.04Å; R274-M287 HydrophobicContact CB-SD 4.31Å; R274-M287 PolarHBondContact NH1-SD 2.73Å; R274-M287 WeakPolarHBondContact O-CB 3.13Å; R274-M287 PolarHBondContact O-N 2.88Å; R274-E307 IonicContact CZ-OE1 3.86Å; R274-E307 IonicContact CZ-OE2 3.41Å; R274-E307 IonicContact NE-OE1 3.06Å; R274-E307 PolarHBondContact NE-OE1 3.07Å; R274-E307 IonicContact NH2-OE1 2.79Å; R274-E307 PolarHBondContact NH2-OE1 3.25Å; R274-E307 IonicContact NH2-OE2 2.63Å; R274-E307 PolarHBondContact NH2-OE2 3.38Å
275	L	86.6	Confident	84.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.3	-177.2	-51.2	179.8	0	0	0	110.2	V249 Q265 D273 V277 A285 E307 S308	V249-L275 HydrophobicContact CG1-CD2 4.31Å; V249-L275 HydrophobicContact CG2-CD2 4.39Å; Q265-L275 HydrophobicContact CB-CD1 3.81Å; Q265-L275 HydrophobicContact CB-CD2 4.36Å; Q265-L275 HydrophobicContact CG-CD1 4.32Å; Q265-L275 HydrophobicContact CG-CD2 3.94Å; D273-L275 HydrophobicContact CB-CD2 4.4Å; L275-V277 HydrophobicContact CB-CG2 4.16Å; L275-A285 WeakPolarHBondContact CA-O 3.24Å; L275-E307 CarbonylContact O-C 3.51Å; L275-E307 WeakPolarHBondContact O-CA 3.48Å; L275-S308 PolarHBondContact N-O 3.1Å; L275-S308 PolarHBondContact O-N 3.24Å
276	L	84.4	Confident	83.6	Confident	22 Å²	22	42.6 Å²	42.6	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.8	164.4	-72.4	173.8	0	0	0	107.9	A284 A285 M287 L290 L305	L276-A284 CarbonylContact O-C 3.54Å; L276-A284 WeakPolarHBondContact O-CA 3.36Å; L276-A284 WeakPolarHBondContact O-CB 3.24Å; L276-A285 PolarHBondContact N-O 3.26Å; L276-A285 PolarHBondContact O-N 3.15Å; L276-M287 HydrophobicContact CD1-CG 4.4Å; L276-M287 HydrophobicContact CD2-CE 4.1Å; L276-M287 HydrophobicContact CG-CE 4.32Å; L276-L290 HydrophobicContact CB-CD1 4.42Å; L276-L290 HydrophobicContact CD1-CB 4.27Å; L276-L290 HydrophobicContact CD1-CD1 3.84Å; L276-L305 HydrophobicContact CB-CB 4.23Å; L276-L305 HydrophobicContact CB-CD1 4.28Å; L276-L305 HydrophobicContact CD1-CD1 4.37Å; L276-L305 HydrophobicContact CD2-CB 4.38Å
277	V	82.5	Confident	83	Confident	36 Å²	36	44.6 Å²	44.6	22%	0.218	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.5	-176.6	-174.1	0	0	0	0	109.7	L275 A284 V306	L275-V277 HydrophobicContact CB-CG2 4.16Å; V277-A284 HydrophobicContact CB-CB 4.33Å; V277-A284 HydrophobicContact CG1-CB 4.42Å; V277-A284 HydrophobicContact CG2-CB 3.91Å; V277-V306 PolarHBondContact N-O 2.97Å; V277-V306 PolarHBondContact O-N 3.09Å
278	C	82.3	Confident	82.3	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.054	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.8	176.8	-177.2	0	0	0	0	111.6	T280 C281 F283 C297 L305	C278-T280 PolarHBondContact O-N 3.23Å; C278-T280 PolarHBondContact SG-N 3.44Å; C278-T280 VanDerWaalsContact SG-N 3.39Å; C278-C281 PolarHBondContact SG-N 3.32Å; C278-C281 VanDerWaalsContact SG-N 3.39Å; C278-F283 HydrophobicContact CB-CB 3.96Å; C278-F283 WeakPolarHBondContact CB-O 3.29Å; C278-F283 PolarHBondContact N-O 3.32Å; C278-C297 HydrophobicContact CB-CB 4.08Å; C278-C297 WeakPolarHBondContact SG-CB 3.45Å; C278-L305 HydrophobicContact CB-CD2 4.12Å
279	G	80.8	Confident	81.5	Confident	60 Å²	60	52 Å²	52	62%	0.619	29%	0.292	S	S	*	.	S	Bend	trans	-70.2	-12.4	175.3	0	0	0	0	0	115.1	T304	G279-T304 PolarHBondContact N-O 3.32Å
280	T	81.5	Confident	80.7	Confident	98 Å²	98	47.7 Å²	47.7	60%	0.601	27%	0.269	S	S	*	.	S	Bend	trans	-118.4	-31.4	-170.4	-50.6	0	0	0	0	113.7	C278 G303	C278-T280 PolarHBondContact O-N 3.23Å; C278-T280 PolarHBondContact SG-N 3.44Å; C278-T280 VanDerWaalsContact SG-N 3.39Å; T280-G303 WeakPolarHBondContact OG1-CA 3.19Å
281	C	78.8	Confident	79.9	Confident	35 Å²	35	49 Å²	49	24%	0.236	28%	0.282	C	S	.	.	S	Bend	trans	-131.8	-178.3	179.9	76.3	0	0	0	0	111.7	C278 F283 C300	C278-C281 PolarHBondContact SG-N 3.32Å; C278-C281 VanDerWaalsContact SG-N 3.39Å; C281-F283 PolarHBondContact O-N 3.11Å; C281-C300 HydrophobicContact CB-CB 4.08Å; C281-C300 VanDerWaalsContact SG-SG 3.69Å
282	S	72.9	Confident	78.9	Confident	96 Å²	96	54.7 Å²	54.7	67%	0.671	32%	0.318	S	S	*	.	S	Bend	trans	-79.5	6.1	-176.8	60.5	0	0	0	0	114.8	A284	S282-A284 PolarHBondContact O-N 3.32Å
283	F	77.1	Confident	78.4	Confident	37 Å²	37	57.8 Å²	57.8	16%	0.162	34%	0.337	C	S	.	.			trans	-66.6	130.4	179.9	-177.5	-94.5	0	0	0	111	C278 C281 A285 L290 C297 P298 Q299 L305	C278-F283 HydrophobicContact CB-CB 3.96Å; C278-F283 WeakPolarHBondContact CB-O 3.29Å; C278-F283 PolarHBondContact N-O 3.32Å; C281-F283 PolarHBondContact O-N 3.11Å; F283-A285 HydrophobicContact CE1-CB 4.05Å; F283-A285 HydrophobicContact CZ-CB 3.9Å; F283-L290 HydrophobicContact CE1-CD1 4.28Å; F283-L290 HydrophobicContact CZ-CD1 4.49Å; F283-C297 WeakPolarHBondContact CB-SG 3.28Å; F283-P298 HydrophobicContact CD1-CG 4.19Å; F283-P298 HydrophobicContact CD2-CG 4.08Å; F283-P298 HydrophobicContact CE1-CG 3.59Å; F283-P298 HydrophobicContact CE2-CG 3.48Å; F283-P298 VanDerWaalsContact CE2-CG 3.48Å; F283-P298 HydrophobicContact CG-CG 4.4Å; F283-P298 HydrophobicContact CZ-CG 3.2Å; F283-Q299 HydrophobicContact CB-CB 3.9Å; F283-Q299 HydrophobicContact CD2-CB 3.82Å; F283-Q299 HydrophobicContact CG-CB 4.09Å; F283-L305 HydrophobicContact CD1-CD2 3.61Å; F283-L305 HydrophobicContact CE1-CD1 4.47Å; F283-L305 HydrophobicContact CE1-CD2 3.88Å
284	A	76.6	Confident	77.8	Confident	8 Å²	8	59.6 Å²	59.6	7%	0.066	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158.9	156.6	0	0	0	0	0	111.5	V247 V249 L276 V277 S282	V247-A284 HydrophobicContact CB-CB 4.17Å; V247-A284 HydrophobicContact CG1-CB 3.37Å; V249-A284 HydrophobicContact CG1-CB 3.93Å; L276-A284 CarbonylContact O-C 3.54Å; L276-A284 WeakPolarHBondContact O-CA 3.36Å; L276-A284 WeakPolarHBondContact O-CB 3.24Å; V277-A284 HydrophobicContact CB-CB 4.33Å; V277-A284 HydrophobicContact CG1-CB 4.42Å; V277-A284 HydrophobicContact CG2-CB 3.91Å; S282-A284 PolarHBondContact O-N 3.32Å
285	A	75.6	Confident	77.5	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.5	174.6	0	0	0	0	0	110.4	L275 L276 F283 L290	L275-A285 WeakPolarHBondContact CA-O 3.24Å; L276-A285 PolarHBondContact N-O 3.26Å; L276-A285 PolarHBondContact O-N 3.15Å; F283-A285 HydrophobicContact CE1-CB 4.05Å; F283-A285 HydrophobicContact CZ-CB 3.9Å; A285-L290 HydrophobicContact CB-CD1 3.59Å; A285-L290 HydrophobicContact CB-CG 3.95Å
286	N	80.1	Confident	77.4	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.048	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.6	167.6	-172.6	-40.2	0	0	0	108.1	V249 E288 T289	V249-N286 HydrophobicContact CG2-CB 4.26Å; N286-E288 PolarHBondContact O-N 2.89Å; N286-E288 VanDerWaalsContact O-N 3.12Å; N286-E288 PolarHBondContact OD1-N 3.26Å; N286-T289 HydrophobicContact CB-CG2 4.29Å; N286-T289 PolarHBondContact O-N 3.44Å; N286-T289 PolarHBondContact O-OG1 2.99Å
287	M	79.9	Confident	77.3	Confident	44 Å²	44	60.7 Å²	60.7	22%	0.217	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.3	-177.8	-169.6	178	-68.8	0	0	112.8	R274 L276 T289 E307	R274-M287 HydrophobicContact CB-CB 4.16Å; R274-M287 HydrophobicContact CB-CE 4.04Å; R274-M287 HydrophobicContact CB-SD 4.31Å; R274-M287 PolarHBondContact NH1-SD 2.73Å; R274-M287 WeakPolarHBondContact O-CB 3.13Å; R274-M287 PolarHBondContact O-N 2.88Å; L276-M287 HydrophobicContact CD1-CG 4.4Å; L276-M287 HydrophobicContact CD2-CE 4.1Å; L276-M287 HydrophobicContact CG-CE 4.32Å; M287-T289 PolarHBondContact O-N 3.32Å; M287-E307 HydrophobicContact CE-CB 4.31Å; M287-E307 HydrophobicContact CE-CG 3.64Å
288	E	76.5	Confident	77.3	Confident	166 Å²	166	61.2 Å²	61.2	78%	0.776	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-68	-19.5	177.4	-62.2	-178.3	175.2	0	0	113.4	N286	N286-E288 PolarHBondContact O-N 2.89Å; N286-E288 VanDerWaalsContact O-N 3.12Å; N286-E288 PolarHBondContact OD1-N 3.26Å
289	T	72.3	Confident	77.3	Confident	54 Å²	54	66.2 Å²	66.2	33%	0.331	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-94.4	-12	-177.1	65	0	0	0	0	114.4	Q250 N286 M287	Q250-T289 VanDerWaalsContact O-CG2 3.31Å; Q250-T289 WeakPolarHBondContact O-CG2 3.17Å; N286-T289 HydrophobicContact CB-CG2 4.29Å; N286-T289 PolarHBondContact O-N 3.44Å; N286-T289 PolarHBondContact O-OG1 2.99Å; M287-T289 PolarHBondContact O-N 3.32Å
290	L	71.9	Confident	77.5	Confident	32 Å²	32	65 Å²	65	17%	0.168	37%	0.367	C	S	.	.	S	Bend	trans	-110.6	152.5	-179.2	-73.3	177	0	0	0	111.2	L276 F283 A285 L305	L276-L290 HydrophobicContact CB-CD1 4.42Å; L276-L290 HydrophobicContact CD1-CB 4.27Å; L276-L290 HydrophobicContact CD1-CD1 3.84Å; F283-L290 HydrophobicContact CE1-CD1 4.28Å; F283-L290 HydrophobicContact CZ-CD1 4.49Å; A285-L290 HydrophobicContact CB-CD1 3.59Å; A285-L290 HydrophobicContact CB-CG 3.95Å; L290-L305 HydrophobicContact CD1-CD1 3.92Å
291	S	71.9	Confident	77.7	Confident	69 Å²	69	65 Å²	65	48%	0.483	37%	0.371	S	S	.	.			trans	-60.7	134	171	54.1	0	0	0	0	109.9	D293 R294	S291-D293 PolarHBondContact O-N 3.47Å; S291-R294 WeakPolarHBondContact O-CB 3.27Å; S291-R294 PolarHBondContact O-N 2.99Å
292	P	65.8	Low	78	Confident	125 Å²	125	68.6 Å²	68.6	81%	0.812	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.7	-171.5	-26.3	32.3	0	0	0	115.1
293	D	74.9	Confident	78.5	Confident	146 Å²	146	64.1 Å²	64.1	78%	0.781	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1.5	-174.6	-55	-41	0	0	0	113.5	S291 T295	S291-D293 PolarHBondContact O-N 3.47Å; D293-T295 PolarHBondContact O-N 3.24Å
294	R	74.6	Confident	79	Confident	80 Å²	80	66.6 Å²	66.6	30%	0.302	38%	0.38	S	S	.	.			trans	-78.5	115.5	-175.3	-164.8	174.7	-170.1	158.3	9.7	111.4	S291 D296	S291-R294 WeakPolarHBondContact O-CB 3.27Å; S291-R294 PolarHBondContact O-N 2.99Å; R294-D296 VanDerWaalsContact CG-OD1 3.26Å; R294-D296 WeakPolarHBondContact CG-OD1 3.42Å; R294-D296 IonicContact CZ-OD2 3.06Å; R294-D296 PolarHBondContact NE-O 3.48Å; R294-D296 IonicContact NE-OD1 3.7Å; R294-D296 IonicContact NE-OD2 3.67Å; R294-D296 PolarHBondContact NE-OD2 3.48Å; R294-D296 IonicContact NH2-OD2 2.82Å; R294-D296 PolarHBondContact NH2-OD2 3.16Å; R294-D296 VanDerWaalsContact NH2-OD2 3.09Å
295	T	79.8	Confident	79.4	Confident	92 Å²	92	66.8 Å²	66.8	56%	0.564	38%	0.38	S	S	*	.			trans	-113.3	-17.9	179	54	0	0	0	0	112.9	D293 T304 L305	D293-T295 PolarHBondContact O-N 3.24Å; T295-T304 CarbonylContact O-C 3.55Å; T295-T304 VanDerWaalsContact O-CA 3.31Å; T295-T304 WeakPolarHBondContact O-CA 3.46Å; T295-T304 WeakPolarHBondContact O-CG2 3.26Å; T295-L305 PolarHBondContact O-N 3.49Å
296	D	86.1	Confident	79.8	Confident	75 Å²	75	70.7 Å²	70.7	40%	0.401	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-81.7	137	174.4	63	-62.1	0	0	0	111.4	R294 P298	R294-D296 VanDerWaalsContact CG-OD1 3.26Å; R294-D296 WeakPolarHBondContact CG-OD1 3.42Å; R294-D296 IonicContact CZ-OD2 3.06Å; R294-D296 PolarHBondContact NE-O 3.48Å; R294-D296 IonicContact NE-OD1 3.7Å; R294-D296 IonicContact NE-OD2 3.67Å; R294-D296 PolarHBondContact NE-OD2 3.48Å; R294-D296 IonicContact NH2-OD2 2.82Å; R294-D296 PolarHBondContact NH2-OD2 3.16Å; R294-D296 VanDerWaalsContact NH2-OD2 3.09Å; D296-P298 WeakPolarHBondContact O-CD 3.32Å
297	C	82.3	Confident	80.1	Confident	0 Å²	0	75 Å²	75	0%	0	42%	0.423	C	S	.	.			trans	-71	121.2	173.1	177.2	0	0	0	0	110.7	C278 F283 Q299 S301 G303 L305	C278-C297 HydrophobicContact CB-CB 4.08Å; C278-C297 WeakPolarHBondContact SG-CB 3.45Å; F283-C297 WeakPolarHBondContact CB-SG 3.28Å; C297-Q299 PolarHBondContact O-N 3.03Å; C297-Q299 PolarHBondContact SG-N 2.76Å; C297-S301 VanDerWaalsContact O-CA 3.28Å; C297-S301 WeakPolarHBondContact O-CA 3.31Å; C297-S301 PolarHBondContact O-N 3.3Å; C297-G303 WeakPolarHBondContact CB-O 3.14Å; C297-G303 PolarHBondContact N-O 3.09Å; C297-L305 HydrophobicContact CB-CD2 4.11Å
298	P	82.2	Confident	80.4	Confident	46 Å²	46	74.6 Å²	74.6	30%	0.299	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26	178.2	22.9	-32.4	0	0	0	113.7	F283 D296	F283-P298 HydrophobicContact CD1-CG 4.19Å; F283-P298 HydrophobicContact CD2-CG 4.08Å; F283-P298 HydrophobicContact CE1-CG 3.59Å; F283-P298 HydrophobicContact CE2-CG 3.48Å; F283-P298 VanDerWaalsContact CE2-CG 3.48Å; F283-P298 HydrophobicContact CG-CG 4.4Å; F283-P298 HydrophobicContact CZ-CG 3.2Å; D296-P298 WeakPolarHBondContact O-CD 3.32Å
299	Q	82.8	Confident	81.1	Confident	113 Å²	113	71.1 Å²	71.1	53%	0.528	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-42.7	-174.4	-175.5	-179.2	-35	0	0	112.8	F283 C297	F283-Q299 HydrophobicContact CB-CB 3.9Å; F283-Q299 HydrophobicContact CD2-CB 3.82Å; F283-Q299 HydrophobicContact CG-CB 4.09Å; C297-Q299 PolarHBondContact O-N 3.03Å; C297-Q299 PolarHBondContact SG-N 2.76Å
300	C	84.1	Confident	82.1	Confident	34 Å²	34	68.6 Å²	68.6	23%	0.23	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-8.7	-174.3	77.8	0	0	0	0	114.3	C281 T302 G303	C281-C300 HydrophobicContact CB-CB 4.08Å; C281-C300 VanDerWaalsContact SG-SG 3.69Å; C300-T302 WeakPolarHBondContact O-CG2 3.32Å; C300-T302 PolarHBondContact O-N 3.41Å; C300-T302 PolarHBondContact O-OG1 3.02Å; C300-T302 PolarHBondContact SG-OG1 3.04Å; C300-G303 PolarHBondContact SG-N 2.81Å
301	S	85.3	Confident	83.2	Confident	98 Å²	98	67.5 Å²	67.5	69%	0.685	39%	0.386	S	S	*	.	S	Bend	trans	54.4	6.5	178.9	-49	0	0	0	0	115.9	C297	C297-S301 VanDerWaalsContact O-CA 3.28Å; C297-S301 WeakPolarHBondContact O-CA 3.31Å; C297-S301 PolarHBondContact O-N 3.3Å
302	T	85.9	Confident	84.3	Confident	111 Å²	111	66.7 Å²	66.7	68%	0.681	37%	0.374	S	S	*	.	S	Bend	trans	-125.4	-22.3	-172.3	46.9	0	0	0	0	112.5	C300	C300-T302 WeakPolarHBondContact O-CG2 3.32Å; C300-T302 PolarHBondContact O-N 3.41Å; C300-T302 PolarHBondContact O-OG1 3.02Å; C300-T302 PolarHBondContact SG-OG1 3.04Å
303	G	83.5	Confident	85.8	Confident	3 Å²	3	60.8 Å²	60.8	3%	0.031	34%	0.336	C	S	.	.	S	Bend	trans	-94.4	149.5	175.9	0	0	0	0	0	111.7	T280 C297 C300	T280-G303 WeakPolarHBondContact OG1-CA 3.19Å; C297-G303 WeakPolarHBondContact CB-O 3.14Å; C297-G303 PolarHBondContact N-O 3.09Å; C300-G303 PolarHBondContact SG-N 2.81Å
304	T	86.6	Confident	86.9	Confident	88 Å²	88	53.9 Å²	53.9	54%	0.54	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-92.5	137.6	173.2	-51.6	0	0	0	0	109.4	G279 T295	G279-T304 PolarHBondContact N-O 3.32Å; T295-T304 CarbonylContact O-C 3.55Å; T295-T304 VanDerWaalsContact O-CA 3.31Å; T295-T304 WeakPolarHBondContact O-CA 3.46Å; T295-T304 WeakPolarHBondContact O-CG2 3.26Å
305	L	84.6	Confident	88	Confident	13 Å²	13	51.4 Å²	51.4	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.5	172	-61.9	179.9	0	0	0	109.4	L276 C278 F283 L290 T295 C297	L276-L305 HydrophobicContact CB-CB 4.23Å; L276-L305 HydrophobicContact CB-CD1 4.28Å; L276-L305 HydrophobicContact CD1-CD1 4.37Å; L276-L305 HydrophobicContact CD2-CB 4.38Å; C278-L305 HydrophobicContact CB-CD2 4.12Å; F283-L305 HydrophobicContact CD1-CD2 3.61Å; F283-L305 HydrophobicContact CE1-CD1 4.47Å; F283-L305 HydrophobicContact CE1-CD2 3.88Å; L290-L305 HydrophobicContact CD1-CD1 3.92Å; T295-L305 PolarHBondContact O-N 3.49Å; C297-L305 HydrophobicContact CB-CD2 4.11Å
306	V	84.7	Confident	88.8	Confident	87 Å²	87	47 Å²	47	53%	0.527	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135	177.2	-175.4	0	0	0	0	108.1	V277 S308	V277-V306 PolarHBondContact N-O 2.97Å; V277-V306 PolarHBondContact O-N 3.09Å; V306-S308 PolarHBondContact O-N 2.87Å
307	E	86.7	Confident	89.3	Confident	100 Å²	100	44 Å²	44	47%	0.467	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.2	174.1	-175.5	175.4	166.6	0	0	110.7	R274 L275 M287	R274-E307 IonicContact CZ-OE1 3.86Å; R274-E307 IonicContact CZ-OE2 3.41Å; R274-E307 IonicContact NE-OE1 3.06Å; R274-E307 PolarHBondContact NE-OE1 3.07Å; R274-E307 IonicContact NH2-OE1 2.79Å; R274-E307 PolarHBondContact NH2-OE1 3.25Å; R274-E307 IonicContact NH2-OE2 2.63Å; R274-E307 PolarHBondContact NH2-OE2 3.38Å; L275-E307 CarbonylContact O-C 3.51Å; L275-E307 WeakPolarHBondContact O-CA 3.48Å; M287-E307 HydrophobicContact CE-CB 4.31Å; M287-E307 HydrophobicContact CE-CG 3.64Å
308	S	86.8	Confident	89.9	Confident	35 Å²	35	44.3 Å²	44.3	25%	0.245	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	174.9	172	-163.8	0	0	0	0	109.3	L275 V306	L275-S308 PolarHBondContact N-O 3.1Å; L275-S308 PolarHBondContact O-N 3.24Å; V306-S308 PolarHBondContact O-N 2.87Å
309	K	91.2	Very high	90.6	Very high	93 Å²	93	42.4 Å²	42.4	40%	0.404	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.3	173.7	-74.8	175.9	171.5	-167.9	0	110.3	P267 A268 D269 G271 D273	P267-K309 CarbonylContact C-O 3.56Å; P267-K309 VanDerWaalsContact CA-O 3.31Å; P267-K309 WeakPolarHBondContact CA-O 3.31Å; A268-K309 PolarHBondContact N-O 3.39Å; A268-K309 CarbonylContact O-C 3.54Å; A268-K309 WeakPolarHBondContact O-CB 3.28Å; A268-K309 VanDerWaalsContact O-O 3.12Å; D269-K309 WeakPolarHBondContact O-CD 3.48Å; G271-K309 WeakPolarHBondContact O-CD 3.26Å; D273-K309 CarbonylContact O-C 3.5Å; D273-K309 WeakPolarHBondContact O-CA 3.42Å
310	G	91.9	Very high	91.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.9	-174	0	0	0	0	0	113.6	L266 G271 E272 D273	L266-G310 WeakPolarHBondContact O-CA 3.37Å; G271-G310 CarbonylContact C-O 3.55Å; G271-G310 WeakPolarHBondContact CA-O 3.32Å; E272-G310 PolarHBondContact N-O 2.74Å; D273-G310 PolarHBondContact N-O 3.48Å; D273-G310 PolarHBondContact O-N 2.67Å
311	I	95.1	Very high	91.8	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.3	162.4	-56.1	165.9	0	0	0	107.7	L204 Q265 L266 A268 I270 V313 R352 A356 E359	L204-I311 HydrophobicContact CD1-CD1 4.28Å; L204-I311 HydrophobicContact CD2-CG2 3.97Å; Q265-I311 PolarHBondContact OE1-O 3.07Å; L266-I311 HydrophobicContact CB-CB 4.49Å; L266-I311 PolarHBondContact N-O 3.25Å; L266-I311 PolarHBondContact O-N 3.17Å; A268-I311 HydrophobicContact CB-CD1 3.66Å; A268-I311 HydrophobicContact CB-CG1 3.97Å; I270-I311 HydrophobicContact CD1-CD1 3.44Å; I270-I311 VanDerWaalsContact CD1-CD1 3.44Å; I270-I311 HydrophobicContact CD1-CG1 3.57Å; I270-I311 HydrophobicContact CG1-CD1 4.34Å; I311-V313 HydrophobicContact CG2-CG1 4.29Å; I311-V313 PolarHBondContact O-N 2.94Å; I311-R352 HydrophobicContact CG2-CG 4.32Å; I311-A356 HydrophobicContact CB-CB 4.44Å; I311-A356 HydrophobicContact CD1-CB 4.03Å; I311-A356 HydrophobicContact CG2-CB 3.91Å; I311-E359 HydrophobicContact CD1-CB 4.26Å; I311-E359 HydrophobicContact CD1-CG 4.11Å
312	E	96.1	Very high	92.2	Very high	51 Å²	51	39.4 Å²	39.4	24%	0.238	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	111.2	175.7	-172.2	-132.7	135.6	0	0	110	E263 Q265 R352	E263-E312 HydrophobicContact CB-CG 4.33Å; E263-E312 HydrophobicContact CG-CG 4.13Å; Q265-E312 VanDerWaalsContact OE1-CA 3.3Å; E312-R352 WeakPolarHBondContact O-CD 3.37Å; E312-R352 PolarHBondContact O-NH1 2.86Å; E312-R352 IonicContact OE1-NH1 2.79Å; E312-R352 IonicContact OE2-NH1 3.71Å; E312-R352 PolarHBondContact OE2-NH1 2.91Å
313	V	97.7	Very high	92.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-11.2	-179.2	-74.9	0	0	0	0	113.6	F239 F264 L266 I311 G349 I353 A356	F239-V313 HydrophobicContact CE1-CB 4.24Å; F239-V313 HydrophobicContact CE1-CG2 3.64Å; F239-V313 HydrophobicContact CE2-CG2 4.2Å; F239-V313 HydrophobicContact CZ-CB 4.08Å; F239-V313 HydrophobicContact CZ-CG2 3.39Å; F264-V313 HydrophobicContact CB-CG2 4.35Å; F264-V313 WeakPolarHBondContact O-CG2 3.27Å; F264-V313 PolarHBondContact O-N 2.99Å; L266-V313 HydrophobicContact CD1-CG1 3.71Å; L266-V313 HydrophobicContact CD1-CG2 4.27Å; L266-V313 HydrophobicContact CG-CG1 4.12Å; L266-V313 HydrophobicContact CG-CG2 3.95Å; I311-V313 HydrophobicContact CG2-CG1 4.29Å; I311-V313 PolarHBondContact O-N 2.94Å; V313-G349 PolarHBondContact O-N 2.96Å; V313-I353 HydrophobicContact CB-CG1 3.74Å; V313-I353 HydrophobicContact CG1-CG1 3.98Å; V313-A356 HydrophobicContact CG1-CB 3.84Å
314	G	97.6	Very high	93.4	Very high	2 Å²	2	34 Å²	34	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	160.5	174.5	0	0	0	0	0	112.4	E263 F264 G347	E263-G314 CarbonylContact C-O 3.58Å; E263-G314 WeakPolarHBondContact CA-O 3.39Å; F264-G314 PolarHBondContact N-O 2.82Å; F264-G314 PolarHBondContact O-N 2.77Å; G314-G347 CarbonylContact C-O 3.55Å; G314-G347 WeakPolarHBondContact CA-O 3.41Å
315	H	96.8	Very high	93.9	Very high	27 Å²	27	35.9 Å²	35.9	13%	0.125	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	136.3	-178.4	-152.4	152.5	0	0	0	109.5	S261 H262 E263 F317 G347	S261-H315 PolarHBondContact OG-NE2 3.14Å; H262-H315 WeakPolarHBondContact O-CA 3.47Å; H262-H315 PolarHBondContact O-CD2 2.88Å; E263-H315 VanDerWaalsContact CG-CE1 3.45Å; E263-H315 WeakPolarHBondContact CG-CE1 3.34Å; E263-H315 IonicContact OE1-CE1 2.82Å; E263-H315 PolarHBondContact OE1-CE1 2.79Å; H315-F317 HydrophobicContact CB-CE2 3.79Å; H315-F317 HydrophobicContact CB-CZ 4.34Å; H315-F317 AromaticContact CD2-CD2 3.99Å; H315-F317 AromaticContact CD2-CE1 3.86Å; H315-F317 AromaticContact CD2-CE2 3.39Å; H315-F317 WeakPolarHBondContact CD2-CE2 3.33Å; H315-F317 AromaticContact CD2-CZ 3.33Å; H315-F317 WeakPolarHBondContact CD2-CZ 3.36Å; H315-F317 AromaticContact CE1-CE1 3.7Å; H315-F317 AromaticContact CE1-CE2 3.92Å; H315-F317 AromaticContact CE1-CZ 3.15Å; H315-F317 WeakPolarHBondContact CE1-CZ 3.25Å; H315-F317 AromaticContact CG-CE2 3.29Å; H315-F317 AromaticContact CG-CZ 3.38Å; H315-F317 AromaticContact ND1-CE2 3.6Å; H315-F317 AromaticContact ND1-CZ 3.24Å; H315-F317 WeakPolarHBondContact ND1-CZ 3.42Å; H315-F317 AromaticContact NE2-CE1 3.43Å; H315-F317 WeakPolarHBondContact NE2-CE1 3.31Å; H315-F317 AromaticContact NE2-CE2 3.79Å; H315-F317 AromaticContact NE2-CZ 3.18Å; H315-F317 WeakPolarHBondContact NE2-CZ 3.18Å; H315-G347 PolarHBondContact N-O 2.95Å; H315-G347 PolarHBondContact O-N 3.23Å
316	T	96.8	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.8	178.2	57.8	0	0	0	0	110.4	Y228 Y235 S261 H262 F264 Y346	Y228-T316 PolarHBondContact OH-O 3.35Å; Y228-T316 PolarHBondContact OH-OG1 2.96Å; Y235-T316 HydrophobicContact CD2-CG2 4.08Å; Y235-T316 HydrophobicContact CE2-CG2 3.74Å; S261-T316 CarbonylContact C-O 3.54Å; S261-T316 VanDerWaalsContact CA-O 3.27Å; S261-T316 WeakPolarHBondContact CA-O 3.43Å; H262-T316 PolarHBondContact N-O 2.81Å; H262-T316 PolarHBondContact O-N 3.41Å; H262-T316 PolarHBondContact O-OG1 2.71Å; F264-T316 HydrophobicContact CD2-CG2 4.47Å; F264-T316 HydrophobicContact CE2-CG2 3.79Å; T316-Y346 HydrophobicContact CG2-CD1 3.63Å; T316-Y346 HydrophobicContact CG2-CG 4.39Å
317	F	96.2	Very high	95	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137	-179	-59	-94.3	0	0	0	110.8	I256 S261 H315 L319 G344 C345	I256-F317 HydrophobicContact CB-CD1 4.34Å; I256-F317 HydrophobicContact CB-CE1 4.24Å; I256-F317 HydrophobicContact CB-CZ 4.38Å; I256-F317 HydrophobicContact CD1-CD2 4.11Å; I256-F317 HydrophobicContact CD1-CE1 4.27Å; I256-F317 HydrophobicContact CD1-CE2 3.48Å; I256-F317 VanDerWaalsContact CD1-CE2 3.48Å; I256-F317 HydrophobicContact CD1-CZ 3.55Å; I256-F317 HydrophobicContact CG1-CZ 4.5Å; I256-F317 HydrophobicContact CG2-CB 4.21Å; I256-F317 HydrophobicContact CG2-CD1 4.03Å; I256-F317 HydrophobicContact CG2-CD2 4.09Å; I256-F317 HydrophobicContact CG2-CE1 4.37Å; I256-F317 HydrophobicContact CG2-CE2 4.43Å; I256-F317 HydrophobicContact CG2-CG 3.86Å; S261-F317 WeakPolarHBondContact OG-CE1 3.45Å; H315-F317 HydrophobicContact CB-CE2 3.79Å; H315-F317 HydrophobicContact CB-CZ 4.34Å; H315-F317 AromaticContact CD2-CD2 3.99Å; H315-F317 AromaticContact CD2-CE1 3.86Å; H315-F317 AromaticContact CD2-CE2 3.39Å; H315-F317 WeakPolarHBondContact CD2-CE2 3.33Å; H315-F317 AromaticContact CD2-CZ 3.33Å; H315-F317 WeakPolarHBondContact CD2-CZ 3.36Å; H315-F317 AromaticContact CE1-CE1 3.7Å; H315-F317 AromaticContact CE1-CE2 3.92Å; H315-F317 AromaticContact CE1-CZ 3.15Å; H315-F317 WeakPolarHBondContact CE1-CZ 3.25Å; H315-F317 AromaticContact CG-CE2 3.29Å; H315-F317 AromaticContact CG-CZ 3.38Å; H315-F317 AromaticContact ND1-CE2 3.6Å; H315-F317 AromaticContact ND1-CZ 3.24Å; H315-F317 WeakPolarHBondContact ND1-CZ 3.42Å; H315-F317 AromaticContact NE2-CE1 3.43Å; H315-F317 WeakPolarHBondContact NE2-CE1 3.31Å; H315-F317 AromaticContact NE2-CE2 3.79Å; H315-F317 AromaticContact NE2-CZ 3.18Å; H315-F317 WeakPolarHBondContact NE2-CZ 3.18Å; F317-L319 HydrophobicContact CB-CD2 3.88Å; F317-G344 CarbonylContact O-C 3.6Å; F317-G344 VanDerWaalsContact O-CA 3.23Å; F317-G344 WeakPolarHBondContact O-CA 3.36Å; F317-C345 PolarHBondContact N-O 3.44Å; F317-C345 PolarHBondContact O-N 3.13Å
318	Y	96.2	Very high	95.5	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.027	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.7	160.2	173.4	-126.7	0	0	0	108.8	E221 A224 H225 G258 T259 L260 E342 M343	E221-Y318 HydrophobicContact CG-CE1 4.22Å; E221-Y318 WeakPolarHBondContact CG-OH 3.37Å; A224-Y318 HydrophobicContact CB-CD2 4.01Å; A224-Y318 HydrophobicContact CB-CE2 3.51Å; H225-Y318 AromaticContact NE2-CD1 3.74Å; H225-Y318 AromaticContact NE2-CE1 3.81Å; G258-Y318 WeakPolarHBondContact CA-O 3.17Å; T259-Y318 PolarHBondContact N-O 3.31Å; T259-Y318 VanDerWaalsContact OG1-CD1 3.29Å; T259-Y318 WeakPolarHBondContact OG1-CD1 3.38Å; L260-Y318 PolarHBondContact O-N 2.84Å; Y318-E342 HydrophobicContact CE2-CB 4.34Å; Y318-E342 PolarHBondContact OH-OE2 2.83Å; Y318-M343 WeakPolarHBondContact CD2-O 3.46Å
319	L	95.6	Very high	96	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-13	-172.8	-56.9	178.9	0	0	0	113.3	E164 I256 F317 K321 K322 Y323 M343 C345	E164-L319 HydrophobicContact CG-CD1 4.22Å; I256-L319 HydrophobicContact CG2-CD2 3.37Å; F317-L319 HydrophobicContact CB-CD2 3.88Å; L319-K321 PolarHBondContact O-N 2.92Å; L319-K322 WeakPolarHBondContact O-CB 3.37Å; L319-K322 PolarHBondContact O-N 2.91Å; L319-Y323 HydrophobicContact CD1-CD2 3.89Å; L319-Y323 HydrophobicContact CD1-CE2 3.86Å; L319-Y323 HydrophobicContact CD2-CE2 4.37Å; L319-M343 WeakPolarHBondContact CA-O 2.92Å; L319-M343 HydrophobicContact CB-CB 4.17Å; L319-M343 WeakPolarHBondContact CB-O 3.5Å; L319-M343 HydrophobicContact CD1-CB 4.44Å; L319-M343 PolarHBondContact N-O 2.81Å; L319-C345 HydrophobicContact CD1-CB 3.78Å; L319-C345 HydrophobicContact CG-CB 4.41Å
320	G	96.4	Very high	96.3	Very high	10 Å²	10	32.4 Å²	32.4	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	-135.7	-168.8	0	0	0	0	0	111.3	E342 M343	G320-E342 WeakPolarHBondContact CA-OE2 3.3Å; G320-M343 PolarHBondContact N-O 3.02Å; G320-M343 WeakPolarHBondContact O-CB 3.27Å; G320-M343 PolarHBondContact O-N 2.92Å
321	K	96.3	Very high	96.6	Very high	97 Å²	97	32.9 Å²	32.9	42%	0.422	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12	-178.2	-52.8	-172.3	-173.8	-179.7	0	115	L319 Y323 S324 H325 V340 E342	L319-K321 PolarHBondContact O-N 2.92Å; K321-Y323 PolarHBondContact O-N 2.99Å; K321-S324 VanDerWaalsContact CA-OG 3.26Å; K321-S324 WeakPolarHBondContact CA-OG 3.37Å; K321-S324 PolarHBondContact O-N 3.05Å; K321-S324 PolarHBondContact O-OG 3.48Å; K321-H325 HydrophobicContact CB-CB 4.5Å; K321-H325 WeakPolarHBondContact O-CB 3.25Å; K321-H325 PolarHBondContact O-N 3.01Å; K321-V340 HydrophobicContact CB-CG1 4.16Å; K321-V340 HydrophobicContact CD-CB 4.13Å; K321-V340 HydrophobicContact CD-CG1 4.06Å; K321-V340 HydrophobicContact CG-CG1 4.28Å; K321-E342 WeakPolarHBondContact CE-OE1 3.49Å; K321-E342 WeakPolarHBondContact CG-OE2 3.27Å; K321-E342 PolarHBondContact N-OE2 3.32Å; K321-E342 IonicContact NZ-OE1 3.2Å; K321-E342 PolarHBondContact NZ-OE1 3.34Å
322	K	94.6	Very high	96.7	Very high	74 Å²	74	34.1 Å²	34.1	32%	0.322	17%	0.172	S	C	.	.	H	α-helix	trans	-50.9	-53.8	-170.2	-177.5	179.8	175.8	178.3	0	112.4	N255 I256 L319 I326	N255-K322 PolarHBondContact O-NZ 2.94Å; N255-K322 VanDerWaalsContact O-NZ 3.13Å; I256-K322 WeakPolarHBondContact O-CD 3.01Å; I256-K322 PolarHBondContact O-NZ 3.24Å; L319-K322 WeakPolarHBondContact O-CB 3.37Å; L319-K322 PolarHBondContact O-N 2.91Å; K322-I326 VanDerWaalsContact O-CD1 3.28Å; K322-I326 WeakPolarHBondContact O-CD1 3.24Å; K322-I326 WeakPolarHBondContact O-CG1 3.41Å
323	Y	96.4	Very high	96.7	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-87	-41	-178.3	-61	-86.5	0	0	0	111.9	R138 E164 I256 L319 K321 H325 I326 F327	R138-Y323 WeakPolarHBondContact CD-OH 3.11Å; R138-Y323 PolarHBondContact NH1-OH 3.15Å; R138-Y323 VanDerWaalsContact NH1-OH 3.15Å; E164-Y323 HydrophobicContact CB-CD1 3.85Å; E164-Y323 HydrophobicContact CB-CD2 4.08Å; E164-Y323 HydrophobicContact CB-CE1 3.65Å; E164-Y323 HydrophobicContact CB-CE2 3.89Å; E164-Y323 HydrophobicContact CB-CG 4.06Å; E164-Y323 HydrophobicContact CG-CD2 4.3Å; E164-Y323 HydrophobicContact CG-CE1 4.3Å; E164-Y323 HydrophobicContact CG-CE2 3.79Å; I256-Y323 PolarHBondContact O-OH 3.2Å; L319-Y323 HydrophobicContact CD1-CD2 3.89Å; L319-Y323 HydrophobicContact CD1-CE2 3.86Å; L319-Y323 HydrophobicContact CD2-CE2 4.37Å; K321-Y323 PolarHBondContact O-N 2.99Å; Y323-H325 PolarHBondContact O-N 3.44Å; Y323-I326 PolarHBondContact O-N 2.92Å; Y323-F327 HydrophobicContact CD1-CE2 4.44Å; Y323-F327 WeakPolarHBondContact O-CD2 3.36Å; Y323-F327 PolarHBondContact O-N 3.28Å
324	S	97	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-33	-178	54.5	0	0	0	0	112.9	K321 N328 A329 V340 A341	K321-S324 VanDerWaalsContact CA-OG 3.26Å; K321-S324 WeakPolarHBondContact CA-OG 3.37Å; K321-S324 PolarHBondContact O-N 3.05Å; K321-S324 PolarHBondContact O-OG 3.48Å; S324-N328 CarbonylContact O-C 3.5Å; S324-N328 WeakPolarHBondContact O-CA 3.49Å; S324-N328 PolarHBondContact O-N 3.04Å; S324-A329 PolarHBondContact O-N 3.47Å; S324-V340 VanDerWaalsContact OG-CG1 3.26Å; S324-V340 WeakPolarHBondContact OG-CG1 3.29Å; S324-A341 WeakPolarHBondContact CB-O 3.18Å; S324-A341 PolarHBondContact OG-O 2.83Å
325	H	96.8	Very high	96.4	Very high	128 Å²	128	44.6 Å²	44.6	59%	0.593	22%	0.221	S	C	*	.	H	α-helix	trans	-67.2	-44.3	171.9	-176.3	-83.3	0	0	0	112.3	K321 Y323	K321-H325 HydrophobicContact CB-CB 4.5Å; K321-H325 WeakPolarHBondContact O-CB 3.25Å; K321-H325 PolarHBondContact O-N 3.01Å; Y323-H325 PolarHBondContact O-N 3.44Å
326	I	96.8	Very high	96.1	Very high	65 Å²	65	49.8 Å²	49.8	33%	0.333	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-43.1	-178.2	-68.3	171.7	0	0	0	111.3	T135 K322 Y323	T135-I326 HydrophobicContact CG2-CG2 3.66Å; T135-I326 WeakPolarHBondContact O-CG2 3.49Å; K322-I326 VanDerWaalsContact O-CD1 3.28Å; K322-I326 WeakPolarHBondContact O-CD1 3.24Å; K322-I326 WeakPolarHBondContact O-CG1 3.41Å; Y323-I326 PolarHBondContact O-N 2.92Å
327	F	96.9	Very high	96.1	Very high	27 Å²	27	55.3 Å²	55.3	12%	0.118	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.1	-175.5	-66.3	-79.2	0	0	0	113.8	L132 T135 E165 T168 T169 A172 Y323 A329	L132-F327 HydrophobicContact CD2-CE1 4.05Å; L132-F327 WeakPolarHBondContact O-CZ 3.41Å; T135-F327 HydrophobicContact CG2-CD1 4.3Å; T135-F327 HydrophobicContact CG2-CE1 3.78Å; T135-F327 HydrophobicContact CG2-CZ 4.13Å; E165-F327 HydrophobicContact CB-CE2 4.01Å; E165-F327 HydrophobicContact CB-CZ 3.74Å; E165-F327 HydrophobicContact CG-CE2 3.9Å; E165-F327 HydrophobicContact CG-CZ 3.76Å; T168-F327 HydrophobicContact CG2-CB 3.74Å; T168-F327 HydrophobicContact CG2-CD2 4.01Å; T168-F327 HydrophobicContact CG2-CG 4.23Å; T169-F327 WeakPolarHBondContact OG1-CD1 3.23Å; T169-F327 WeakPolarHBondContact OG1-CE1 3.32Å; A172-F327 WeakPolarHBondContact CB-O 3.15Å; Y323-F327 HydrophobicContact CD1-CE2 4.44Å; Y323-F327 WeakPolarHBondContact O-CD2 3.36Å; Y323-F327 PolarHBondContact O-N 3.28Å; F327-A329 VanDerWaalsContact C-N 3.3Å; F327-A329 PolarHBondContact O-N 2.97Å
328	N	96.3	Very high	96	Very high	112 Å²	112	60 Å²	60	60%	0.599	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	41.1	-176.1	-74.4	-27.7	0	0	0	114	S324 T330	S324-N328 CarbonylContact O-C 3.5Å; S324-N328 WeakPolarHBondContact O-CA 3.49Å; S324-N328 PolarHBondContact O-N 3.04Å; N328-T330 VanDerWaalsContact C-N 3.34Å; N328-T330 PolarHBondContact O-N 3.43Å
329	A	97.2	Very high	96.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.008	31%	0.314	C	S	.	.			trans	-71.7	91.9	170.8	0	0	0	0	0	109.6	T168 A172 F217 S324 F327 A341	T168-A329 HydrophobicContact CG2-CB 3.75Å; A172-A329 HydrophobicContact CB-CB 4.14Å; F217-A329 HydrophobicContact CE1-CB 4.41Å; S324-A329 PolarHBondContact O-N 3.47Å; F327-A329 VanDerWaalsContact C-N 3.3Å; F327-A329 PolarHBondContact O-N 2.97Å; A329-A341 PolarHBondContact O-N 3.2Å; A329-A341 VanDerWaalsContact O-N 3.12Å
330	T	97.5	Very high	96.2	Very high	50 Å²	50	62.2 Å²	62.2	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.8	-173.9	57.9	0	0	0	0	112.2	N328 A339 V340	N328-T330 VanDerWaalsContact C-N 3.34Å; N328-T330 PolarHBondContact O-N 3.43Å; T330-A339 CarbonylContact C-O 3.33Å; T330-A339 WeakPolarHBondContact CA-O 3.05Å; T330-A339 WeakPolarHBondContact CB-O 3.25Å; T330-V340 HydrophobicContact CG2-CG2 4.03Å
331	F	97.9	Very high	96.2	Very high	9 Å²	9	61.8 Å²	61.8	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.8	173.1	69.4	-84.7	0	0	0	110.7	L177 L182 V219 N333 P338 A339 A341	L177-F331 HydrophobicContact CB-CB 4.26Å; L177-F331 HydrophobicContact CD2-CB 4.11Å; L177-F331 HydrophobicContact CG-CB 3.96Å; L177-F331 CarbonylContact O-C 3.52Å; L177-F331 VanDerWaalsContact O-CA 3.24Å; L177-F331 WeakPolarHBondContact O-CA 3.26Å; L177-F331 WeakPolarHBondContact O-CB 3.49Å; L182-F331 HydrophobicContact CD1-CB 3.97Å; L182-F331 HydrophobicContact CD1-CD1 3.64Å; L182-F331 HydrophobicContact CD1-CD2 3.94Å; L182-F331 HydrophobicContact CD1-CE1 4.08Å; L182-F331 HydrophobicContact CD1-CE2 4.35Å; L182-F331 HydrophobicContact CD1-CG 3.57Å; L182-F331 HydrophobicContact CD1-CZ 4.41Å; V219-F331 HydrophobicContact CB-CE2 4.24Å; V219-F331 HydrophobicContact CB-CZ 3.94Å; V219-F331 HydrophobicContact CG1-CE2 3.99Å; V219-F331 HydrophobicContact CG1-CZ 4.09Å; F331-N333 HydrophobicContact CE2-CB 4.07Å; F331-P338 CarbonylContact O-C 3.58Å; F331-P338 WeakPolarHBondContact O-CA 3.48Å; F331-A339 HydrophobicContact CD1-CB 4.4Å; F331-A339 WeakPolarHBondContact CD1-O 3.48Å; F331-A339 HydrophobicContact CE1-CB 3.84Å; F331-A339 HydrophobicContact CE2-CB 4.2Å; F331-A339 HydrophobicContact CZ-CB 3.73Å; F331-A339 PolarHBondContact N-O 2.99Å; F331-A339 PolarHBondContact O-N 2.92Å; F331-A341 HydrophobicContact CD1-CB 4.23Å; F331-A341 HydrophobicContact CE1-CB 4.48Å
332	S	97.3	Very high	96.3	Very high	36 Å²	36	57.9 Å²	57.9	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.5	172.4	-172.5	0	0	0	0	110.4	L177 Y179 N336	L177-S332 PolarHBondContact O-N 3.41Å; Y179-S332 WeakPolarHBondContact CD1-O 3.45Å; Y179-S332 PolarHBondContact N-O 3.38Å; S332-N336 VanDerWaalsContact OG-CA 3.29Å; S332-N336 WeakPolarHBondContact OG-CA 3.34Å
333	N	95.8	Very high	96.5	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.16	29%	0.285	C	S	.	.			trans	-77.1	-177.4	-179.5	74.7	13.1	0	0	0	112.9	F331 Q335 N336 K337 A339	F331-N333 HydrophobicContact CE2-CB 4.07Å; N333-Q335 PolarHBondContact O-N 3.44Å; N333-Q335 VanDerWaalsContact O-N 3.07Å; N333-Q335 WeakPolarHBondContact OD1-CA 3.43Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.36Å; N333-Q335 PolarHBondContact OD1-N 3.36Å; N333-N336 WeakPolarHBondContact O-CA 3.45Å; N333-N336 PolarHBondContact O-N 2.66Å; N333-N336 PolarHBondContact OD1-N 3.27Å; N333-K337 PolarHBondContact N-O 3.39Å; N333-K337 PolarHBondContact OD1-N 2.87Å; N333-K337 PolarHBondContact OD1-O 3.2Å; N333-A339 HydrophobicContact CB-CB 4.33Å
334	H	94.3	Very high	96.6	Very high	134 Å²	134	54.3 Å²	54.3	62%	0.62	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.4	179.9	63.3	-89.6	0	0	0	114.5	Y179	Y179-H334 HydrophobicContact CE1-CB 4.33Å
335	Q	94.5	Very high	96.6	Very high	111 Å²	111	54.5 Å²	54.5	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.3	174.7	-51	-176.2	-4	0	0	112.7	N333 K337	N333-Q335 PolarHBondContact O-N 3.44Å; N333-Q335 VanDerWaalsContact O-N 3.07Å; N333-Q335 WeakPolarHBondContact OD1-CA 3.43Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.36Å; N333-Q335 PolarHBondContact OD1-N 3.36Å; Q335-K337 HydrophobicContact CB-CD 4.43Å; Q335-K337 HydrophobicContact CB-CG 4.36Å; Q335-K337 PolarHBondContact O-N 3.17Å
336	N	92.4	Very high	96.7	Very high	135 Å²	135	48.5 Å²	48.5	72%	0.722	26%	0.259	S	S	*	.	S	Bend	trans	56.8	27.9	-170.8	-65.4	-44.6	0	0	0	114.5	S332 N333	S332-N336 VanDerWaalsContact OG-CA 3.29Å; S332-N336 WeakPolarHBondContact OG-CA 3.34Å; N333-N336 WeakPolarHBondContact O-CA 3.45Å; N333-N336 PolarHBondContact O-N 2.66Å; N333-N336 PolarHBondContact OD1-N 3.27Å
337	K	95.2	Very high	96.8	Very high	116 Å²	116	46.2 Å²	46.2	50%	0.504	25%	0.251	S	S	.	.			trans	-100.9	145.4	175.1	-68.4	178.1	-178.2	166.1	0	110.4	N333 Q335 A339	N333-K337 PolarHBondContact N-O 3.39Å; N333-K337 PolarHBondContact OD1-N 2.87Å; N333-K337 PolarHBondContact OD1-O 3.2Å; Q335-K337 HydrophobicContact CB-CD 4.43Å; Q335-K337 HydrophobicContact CB-CG 4.36Å; Q335-K337 PolarHBondContact O-N 3.17Å; K337-A339 PolarHBondContact O-N 3.37Å
338	P	95.4	Very high	96.9	Very high	109 Å²	109	44.9 Å²	44.9	71%	0.708	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.7	174.4	27.4	-33.3	0	0	0	110.4	F331	F331-P338 CarbonylContact O-C 3.58Å; F331-P338 WeakPolarHBondContact O-CA 3.48Å
339	A	97.1	Very high	97	Very high	27 Å²	27	40 Å²	40	22%	0.223	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.9	172.6	0	0	0	0	0	109.4	T330 F331 N333 K337	T330-A339 CarbonylContact C-O 3.33Å; T330-A339 WeakPolarHBondContact CA-O 3.05Å; T330-A339 WeakPolarHBondContact CB-O 3.25Å; F331-A339 HydrophobicContact CD1-CB 4.4Å; F331-A339 WeakPolarHBondContact CD1-O 3.48Å; F331-A339 HydrophobicContact CE1-CB 3.84Å; F331-A339 HydrophobicContact CE2-CB 4.2Å; F331-A339 HydrophobicContact CZ-CB 3.73Å; F331-A339 PolarHBondContact N-O 2.99Å; F331-A339 PolarHBondContact O-N 2.92Å; N333-A339 HydrophobicContact CB-CB 4.33Å; K337-A339 PolarHBondContact O-N 3.37Å
340	V	97.6	Very high	97.1	Very high	34 Å²	34	40 Å²	40	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.1	177.3	179	0	0	0	0	108.9	K321 S324 T330	K321-V340 HydrophobicContact CB-CG1 4.16Å; K321-V340 HydrophobicContact CD-CB 4.13Å; K321-V340 HydrophobicContact CD-CG1 4.06Å; K321-V340 HydrophobicContact CG-CG1 4.28Å; S324-V340 VanDerWaalsContact OG-CG1 3.26Å; S324-V340 WeakPolarHBondContact OG-CG1 3.29Å; T330-V340 HydrophobicContact CG2-CG2 4.03Å
341	A	97.9	Very high	97.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-69.5	143.1	-179.8	0	0	0	0	0	112.1	F217 S324 A329 F331	F217-A341 HydrophobicContact CB-CB 4.25Å; F217-A341 HydrophobicContact CD1-CB 4.18Å; S324-A341 WeakPolarHBondContact CB-O 3.18Å; S324-A341 PolarHBondContact OG-O 2.83Å; A329-A341 PolarHBondContact O-N 3.2Å; A329-A341 VanDerWaalsContact O-N 3.12Å; F331-A341 HydrophobicContact CD1-CB 4.23Å; F331-A341 HydrophobicContact CE1-CB 4.48Å
342	E	98.2	Very high	97.1	Very high	15 Å²	15	40 Å²	40	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	151.1	164.3	-62.9	-63.9	174.8	0	0	110.1	F217 D218 S220 A224 Y318 G320 K321	F217-E342 CarbonylContact C-O 3.6Å; F217-E342 VanDerWaalsContact CA-O 3.3Å; F217-E342 WeakPolarHBondContact CA-O 3.25Å; D218-E342 HydrophobicContact CB-CB 4.25Å; D218-E342 PolarHBondContact N-O 3.45Å; D218-E342 PolarHBondContact O-N 3.41Å; S220-E342 VanDerWaalsContact C-CG 3.42Å; A224-E342 HydrophobicContact CB-CB 3.88Å; Y318-E342 HydrophobicContact CE2-CB 4.34Å; Y318-E342 PolarHBondContact OH-OE2 2.83Å; G320-E342 WeakPolarHBondContact CA-OE2 3.3Å; K321-E342 WeakPolarHBondContact CE-OE1 3.49Å; K321-E342 WeakPolarHBondContact CG-OE2 3.27Å; K321-E342 PolarHBondContact N-OE2 3.32Å; K321-E342 IonicContact NZ-OE1 3.2Å; K321-E342 PolarHBondContact NZ-OE1 3.34Å
343	M	98.4	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.2	-177	-63.9	-174.5	62	0	0	113.6	T168 S216 F217 Y318 L319 G320	T168-M343 HydrophobicContact CG2-SD 4.03Å; T168-M343 VanDerWaalsContact OG1-CE 3.3Å; T168-M343 WeakPolarHBondContact OG1-CE 3.32Å; S216-M343 VanDerWaalsContact O-CA 3.32Å; S216-M343 WeakPolarHBondContact O-CA 3.5Å; F217-M343 HydrophobicContact CD1-CE 4.33Å; F217-M343 HydrophobicContact CD1-CG 3.9Å; F217-M343 HydrophobicContact CD1-SD 4.16Å; F217-M343 HydrophobicContact CE1-CE 3.55Å; F217-M343 HydrophobicContact CE1-CG 3.97Å; F217-M343 HydrophobicContact CE1-SD 3.62Å; F217-M343 HydrophobicContact CE2-CE 4.39Å; F217-M343 HydrophobicContact CZ-CE 3.58Å; F217-M343 HydrophobicContact CZ-SD 4.29Å; Y318-M343 WeakPolarHBondContact CD2-O 3.46Å; L319-M343 WeakPolarHBondContact CA-O 2.92Å; L319-M343 HydrophobicContact CB-CB 4.17Å; L319-M343 WeakPolarHBondContact CB-O 3.5Å; L319-M343 HydrophobicContact CD1-CB 4.44Å; L319-M343 PolarHBondContact N-O 2.81Å; G320-M343 PolarHBondContact N-O 3.02Å; G320-M343 WeakPolarHBondContact O-CB 3.27Å; G320-M343 PolarHBondContact O-N 2.92Å
344	G	98.2	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157	161.8	0	0	0	0	0	111.3	Y215 S216 F317	Y215-G344 VanDerWaalsContact CA-O 3.3Å; Y215-G344 WeakPolarHBondContact CA-O 3.45Å; S216-G344 PolarHBondContact N-O 3.37Å; S216-G344 PolarHBondContact O-N 3.24Å; S216-G344 PolarHBondContact OG-N 3.35Å; F317-G344 CarbonylContact O-C 3.6Å; F317-G344 VanDerWaalsContact O-CA 3.23Å; F317-G344 WeakPolarHBondContact O-CA 3.36Å
345	C	98	Very high	97.4	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.034	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.8	167.5	75.5	0	0	0	0	112.3	M214 Y215 F317 L319	M214-C345 CarbonylContact O-C 3.54Å; M214-C345 VanDerWaalsContact O-CA 3.27Å; M214-C345 WeakPolarHBondContact O-CA 3.33Å; Y215-C345 HydrophobicContact CD1-CB 3.55Å; Y215-C345 HydrophobicContact CE1-CB 3.64Å; F317-C345 PolarHBondContact N-O 3.44Å; F317-C345 PolarHBondContact O-N 3.13Å; L319-C345 HydrophobicContact CD1-CB 3.78Å; L319-C345 HydrophobicContact CG-CB 4.41Å
346	Y	98.4	Very high	97.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	110.6	-167.4	-41.2	-93.9	0	0	0	110.2	D213 M214 S216 Y228 V231 Y235 T316	D213-Y346 WeakPolarHBondContact CA-O 3.46Å; M214-Y346 HydrophobicContact CB-CD2 4.18Å; M214-Y346 HydrophobicContact CG-CD2 3.99Å; M214-Y346 PolarHBondContact N-O 2.83Å; M214-Y346 PolarHBondContact O-N 3.38Å; M214-Y346 HydrophobicContact SD-CD2 4.41Å; S216-Y346 PolarHBondContact OG-OH 2.81Å; Y228-Y346 AromaticContact CD2-CE1 3.67Å; Y228-Y346 HydrophobicContact CD2-CE1 3.67Å; Y228-Y346 HydrophobicContact CE2-CE1 4.28Å; Y228-Y346 HydrophobicContact CG-CE1 4.21Å; V231-Y346 HydrophobicContact CB-CD1 3.77Å; V231-Y346 HydrophobicContact CB-CE1 3.9Å; V231-Y346 HydrophobicContact CB-CG 4.2Å; V231-Y346 HydrophobicContact CG1-CD1 3.47Å; V231-Y346 VanDerWaalsContact CG1-CD1 3.47Å; V231-Y346 HydrophobicContact CG1-CD2 4.29Å; V231-Y346 HydrophobicContact CG1-CE1 4.13Å; V231-Y346 HydrophobicContact CG1-CG 3.58Å; V231-Y346 HydrophobicContact CG2-CD1 4.18Å; V231-Y346 HydrophobicContact CG2-CD2 4.28Å; V231-Y346 HydrophobicContact CG2-CE1 4.09Å; V231-Y346 HydrophobicContact CG2-CE2 4.19Å; V231-Y346 HydrophobicContact CG2-CG 4.3Å; Y235-Y346 WeakPolarHBondContact OH-CB 3.42Å; Y235-Y346 PolarHBondContact OH-O 2.87Å; T316-Y346 HydrophobicContact CG2-CD1 3.63Å; T316-Y346 HydrophobicContact CG2-CG 4.39Å
347	G	98.3	Very high	97.8	Very high	16 Å²	16	18.8 Å²	18.8	17%	0.165	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.4	-176.1	0	0	0	0	0	113.4	K212 Y235 G314 H315	K212-G347 CarbonylContact O-C 3.56Å; K212-G347 VanDerWaalsContact O-CA 3.25Å; K212-G347 WeakPolarHBondContact O-CA 3.15Å; Y235-G347 WeakPolarHBondContact CE2-O 3.4Å; Y235-G347 PolarHBondContact OH-N 3.01Å; Y235-G347 PolarHBondContact OH-O 3.46Å; G314-G347 CarbonylContact C-O 3.55Å; G314-G347 WeakPolarHBondContact CA-O 3.41Å; H315-G347 PolarHBondContact N-O 2.95Å; H315-G347 PolarHBondContact O-N 3.23Å
348	L	98.8	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.3	162.9	-69.9	167.8	0	0	0	109.1	I110 M211 K212 Y235 L238 F239 V350 I353	I110-L348 HydrophobicContact CD1-CD1 4.34Å; I110-L348 HydrophobicContact CG1-CD1 4.32Å; I110-L348 HydrophobicContact CG2-CD1 4.33Å; M211-L348 CarbonylContact C-O 3.46Å; M211-L348 VanDerWaalsContact CA-O 3.31Å; M211-L348 WeakPolarHBondContact CA-O 3.46Å; K212-L348 HydrophobicContact CB-CB 4.19Å; K212-L348 PolarHBondContact N-O 3.13Å; K212-L348 PolarHBondContact O-N 3.37Å; Y235-L348 HydrophobicContact CD1-CD1 4.16Å; Y235-L348 HydrophobicContact CD1-CG 4.47Å; Y235-L348 HydrophobicContact CD2-CD2 3.61Å; Y235-L348 HydrophobicContact CD2-CG 4.15Å; Y235-L348 HydrophobicContact CE1-CD1 3.83Å; Y235-L348 HydrophobicContact CE1-CD2 4.43Å; Y235-L348 HydrophobicContact CE1-CG 3.99Å; Y235-L348 HydrophobicContact CE2-CD1 4.31Å; Y235-L348 HydrophobicContact CE2-CD2 3.49Å; Y235-L348 VanDerWaalsContact CE2-CD2 3.49Å; Y235-L348 HydrophobicContact CE2-CG 3.61Å; Y235-L348 HydrophobicContact CG-CD2 4.12Å; Y235-L348 VanDerWaalsContact CZ-CG 3.5Å; L238-L348 HydrophobicContact CD2-CD1 3.49Å; L238-L348 VanDerWaalsContact CD2-CD1 3.49Å; L238-L348 HydrophobicContact CD2-CD2 4.46Å; F239-L348 HydrophobicContact CE2-CD2 4.15Å; F239-L348 HydrophobicContact CZ-CD2 3.77Å; L348-V350 PolarHBondContact O-N 3.34Å; L348-I353 HydrophobicContact CB-CD1 4.05Å; L348-I353 HydrophobicContact CD2-CD1 4.14Å
349	G	98.5	Very high	98	Very high	9 Å²	9	9 Å²	9	9%	0.093	5%	0.054	C	C	.	.			trans	-76.5	88.3	174.1	0	0	0	0	0	110.6	V313 T351 R352 I353	V313-G349 PolarHBondContact O-N 2.96Å; G349-T351 PolarHBondContact O-N 3.32Å; G349-R352 CarbonylContact O-C 3.55Å; G349-R352 WeakPolarHBondContact O-CA 3.45Å; G349-R352 WeakPolarHBondContact O-CB 3.31Å; G349-R352 PolarHBondContact O-N 3.3Å; G349-I353 WeakPolarHBondContact O-CG1 3.37Å; G349-I353 PolarHBondContact O-N 3.4Å
350	V	98.7	Very high	97.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.4	-50.7	-173.4	179.4	0	0	0	0	112.2	M103 L106 I107 I110 I189 Y210 K212 L348 R352 I353 L354	M103-V350 HydrophobicContact CG-CG1 4.01Å; L106-V350 HydrophobicContact CD2-CG1 3.83Å; L106-V350 VanDerWaalsContact CD2-O 3.3Å; L106-V350 WeakPolarHBondContact CD2-O 3.12Å; L106-V350 HydrophobicContact CG-CG1 4.24Å; I107-V350 HydrophobicContact CG1-CG1 4.09Å; I110-V350 HydrophobicContact CD1-CG2 3.9Å; I189-V350 HydrophobicContact CG2-CG2 3.86Å; Y210-V350 PolarHBondContact O-N 3.06Å; K212-V350 HydrophobicContact CB-CG2 4.23Å; L348-V350 PolarHBondContact O-N 3.34Å; V350-R352 VanDerWaalsContact C-N 3.3Å; V350-R352 PolarHBondContact O-N 2.73Å; V350-I353 PolarHBondContact O-N 2.98Å; V350-L354 PolarHBondContact O-N 3Å
351	T	98.1	Very high	97.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-71.7	-27.6	178	45.4	0	0	0	0	112.6	Y95 M103 F209 Y210 G349 A355	Y95-T351 HydrophobicContact CE2-CG2 3.57Å; Y95-T351 WeakPolarHBondContact OH-CG2 3.35Å; M103-T351 HydrophobicContact SD-CG2 3.94Å; F209-T351 WeakPolarHBondContact CB-OG1 3.21Å; Y210-T351 HydrophobicContact CD2-CG2 4.17Å; Y210-T351 HydrophobicContact CG-CG2 4.42Å; Y210-T351 PolarHBondContact N-OG1 3.48Å; Y210-T351 PolarHBondContact O-N 3.48Å; G349-T351 PolarHBondContact O-N 3.32Å; T351-A355 PolarHBondContact O-N 3.44Å
352	R	98.3	Very high	97.6	Very high	60 Å²	60	11.2 Å²	11.2	23%	0.226	6%	0.062	C	C	.	.	H	α-helix	trans	-68.7	-43	174	-175.8	-178.1	-72	176.8	-5.4	110.9	L204 I311 E312 G349 V350 L354 A355 A356	L204-R352 HydrophobicContact CD2-CG 3.81Å; L204-R352 PolarHBondContact O-NE 3.41Å; L204-R352 PolarHBondContact O-NH2 3.35Å; I311-R352 HydrophobicContact CG2-CG 4.32Å; E312-R352 WeakPolarHBondContact O-CD 3.37Å; E312-R352 PolarHBondContact O-NH1 2.86Å; E312-R352 IonicContact OE1-NH1 2.79Å; E312-R352 IonicContact OE2-NH1 3.71Å; E312-R352 PolarHBondContact OE2-NH1 2.91Å; G349-R352 CarbonylContact O-C 3.55Å; G349-R352 WeakPolarHBondContact O-CA 3.45Å; G349-R352 WeakPolarHBondContact O-CB 3.31Å; G349-R352 PolarHBondContact O-N 3.3Å; V350-R352 VanDerWaalsContact C-N 3.3Å; V350-R352 PolarHBondContact O-N 2.73Å; R352-L354 VanDerWaalsContact C-N 3.3Å; R352-L354 PolarHBondContact O-N 2.79Å; R352-A355 PolarHBondContact O-N 3.32Å; R352-A356 VanDerWaalsContact O-CB 3.25Å; R352-A356 WeakPolarHBondContact O-CB 3.46Å; R352-A356 PolarHBondContact O-N 3.27Å
353	I	98.6	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57	-43.2	175.1	-71.1	163.5	0	0	0	110.8	L106 F239 L242 L244 V313 L348 G349 V350 A356 A357	L106-I353 HydrophobicContact CD1-CG2 4.18Å; L106-I353 HydrophobicContact CD2-CB 3.93Å; L106-I353 HydrophobicContact CD2-CG2 3.7Å; F239-I353 HydrophobicContact CE1-CD1 4.11Å; F239-I353 HydrophobicContact CE1-CG1 4.15Å; F239-I353 HydrophobicContact CZ-CD1 4.28Å; L242-I353 HydrophobicContact CD1-CG2 4.25Å; L244-I353 HydrophobicContact CD1-CG2 4.49Å; V313-I353 HydrophobicContact CB-CG1 3.74Å; V313-I353 HydrophobicContact CG1-CG1 3.98Å; L348-I353 HydrophobicContact CB-CD1 4.05Å; L348-I353 HydrophobicContact CD2-CD1 4.14Å; G349-I353 WeakPolarHBondContact O-CG1 3.37Å; G349-I353 PolarHBondContact O-N 3.4Å; V350-I353 PolarHBondContact O-N 2.98Å; I353-A356 PolarHBondContact O-N 2.9Å; I353-A357 VanDerWaalsContact O-CB 3.27Å; I353-A357 WeakPolarHBondContact O-CB 3.49Å; I353-A357 PolarHBondContact O-N 2.6Å
354	L	97.8	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-50.4	176.5	-70	173.8	0	0	0	112.2	M103 L106 V350 R352 I358 W369 I373	M103-L354 HydrophobicContact CB-CD1 3.76Å; M103-L354 HydrophobicContact CG-CD1 4.18Å; L106-L354 HydrophobicContact CB-CD2 4.43Å; L106-L354 HydrophobicContact CD2-CD2 4.04Å; L106-L354 HydrophobicContact CD2-CG 3.97Å; V350-L354 PolarHBondContact O-N 3Å; R352-L354 VanDerWaalsContact C-N 3.3Å; R352-L354 PolarHBondContact O-N 2.79Å; L354-I358 WeakPolarHBondContact O-CG1 3.45Å; L354-I358 PolarHBondContact O-N 2.9Å; L354-W369 HydrophobicContact CD2-CZ3 4.18Å; L354-I373 HydrophobicContact CD2-CD1 3.84Å; L354-I373 HydrophobicContact CD2-CG1 4.4Å
355	A	97.9	Very high	95.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-39.5	179.7	0	0	0	0	0	112	S75 M79 L203 L204 T351 R352 A357 I358 E359	S75-A355 WeakPolarHBondContact CB-O 3.28Å; M79-A355 HydrophobicContact SD-CB 4.11Å; L203-A355 HydrophobicContact CB-CB 3.93Å; L204-A355 HydrophobicContact CD2-CB 3.68Å; L204-A355 HydrophobicContact CG-CB 3.99Å; T351-A355 PolarHBondContact O-N 3.44Å; R352-A355 PolarHBondContact O-N 3.32Å; A355-A357 PolarHBondContact O-N 3.12Å; A355-I358 PolarHBondContact O-N 2.98Å; A355-E359 PolarHBondContact O-N 2.82Å
356	A	97.9	Very high	95.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-39.3	178.7	0	0	0	0	0	111.6	L204 L266 I311 V313 R352 I353 I358 E359 V360	L204-A356 HydrophobicContact CD2-CB 4Å; L266-A356 HydrophobicContact CD1-CB 3.68Å; I311-A356 HydrophobicContact CB-CB 4.44Å; I311-A356 HydrophobicContact CD1-CB 4.03Å; I311-A356 HydrophobicContact CG2-CB 3.91Å; V313-A356 HydrophobicContact CG1-CB 3.84Å; R352-A356 VanDerWaalsContact O-CB 3.25Å; R352-A356 WeakPolarHBondContact O-CB 3.46Å; R352-A356 PolarHBondContact O-N 3.27Å; I353-A356 PolarHBondContact O-N 2.9Å; A356-I358 VanDerWaalsContact C-N 3.35Å; A356-I358 PolarHBondContact O-N 2.78Å; A356-E359 WeakPolarHBondContact O-CB 2.84Å; A356-E359 PolarHBondContact O-N 2.8Å; A356-V360 WeakPolarHBondContact O-CG2 2.89Å; A356-V360 PolarHBondContact O-N 2.97Å
357	A	97.6	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-45.1	173.4	0	0	0	0	0	111.7	L244 I353 A355 E359 V360 M361 P370	L244-A357 HydrophobicContact CD1-CB 4.09Å; L244-A357 HydrophobicContact CD2-CB 3.99Å; I353-A357 VanDerWaalsContact O-CB 3.27Å; I353-A357 WeakPolarHBondContact O-CB 3.49Å; I353-A357 PolarHBondContact O-N 2.6Å; A355-A357 PolarHBondContact O-N 3.12Å; A357-E359 VanDerWaalsContact C-N 3.33Å; A357-E359 PolarHBondContact O-N 3.44Å; A357-V360 PolarHBondContact O-N 2.79Å; A357-M361 VanDerWaalsContact O-CB 3.24Å; A357-M361 WeakPolarHBondContact O-CB 3.27Å; A357-M361 VanDerWaalsContact O-CG 3.28Å; A357-M361 WeakPolarHBondContact O-CG 3.15Å; A357-M361 PolarHBondContact O-N 2.88Å; A357-P370 HydrophobicContact CB-CG 3.72Å
358	I	97	Very high	95.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-41.6	175	-66.3	173.7	0	0	0	110.6	L78 M79 L84 L354 A355 A356 V360 S362 I367 W369	L78-I358 HydrophobicContact CB-CG2 4.42Å; L78-I358 HydrophobicContact CD1-CG2 4.19Å; M79-I358 HydrophobicContact CE-CD1 3.93Å; M79-I358 HydrophobicContact CG-CD1 3.5Å; M79-I358 VanDerWaalsContact CG-CD1 3.5Å; M79-I358 HydrophobicContact SD-CD1 3.76Å; L84-I358 HydrophobicContact CD1-CD1 4.46Å; L354-I358 WeakPolarHBondContact O-CG1 3.45Å; L354-I358 PolarHBondContact O-N 2.9Å; A355-I358 PolarHBondContact O-N 2.98Å; A356-I358 VanDerWaalsContact C-N 3.35Å; A356-I358 PolarHBondContact O-N 2.78Å; I358-V360 PolarHBondContact O-N 3.42Å; I358-S362 WeakPolarHBondContact CG2-OG 3.31Å; I358-S362 WeakPolarHBondContact O-CB 3.3Å; I358-S362 PolarHBondContact O-N 3.18Å; I358-S362 PolarHBondContact O-OG 2.84Å; I358-I367 HydrophobicContact CD1-CG2 4.33Å; I358-I367 HydrophobicContact CG1-CG2 4.12Å; I358-I367 HydrophobicContact CG2-CG1 4.42Å; I358-I367 HydrophobicContact CG2-CG2 4.48Å; I358-W369 HydrophobicContact CD1-CE3 4.39Å; I358-W369 HydrophobicContact CD1-CH2 3.68Å; I358-W369 HydrophobicContact CD1-CZ2 4.12Å; I358-W369 HydrophobicContact CD1-CZ3 3.81Å; I358-W369 HydrophobicContact CG1-CE3 4.29Å; I358-W369 HydrophobicContact CG1-CH2 4.43Å; I358-W369 HydrophobicContact CG1-CZ3 4.13Å
359	E	96.7	Very high	95.1	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	13%	0.131	C	C	.	.	H	α-helix	trans	-58.8	-47.2	178.5	-168.3	66.2	-143.2	0	0	111.6	K74 S75 I270 I311 A355 A356 A357	K74-E359 WeakPolarHBondContact CB-OE1 3.34Å; K74-E359 WeakPolarHBondContact CE-O 3.21Å; K74-E359 PolarHBondContact N-OE2 2.79Å; K74-E359 PolarHBondContact NZ-O 2.92Å; S75-E359 WeakPolarHBondContact CB-OE2 3.13Å; S75-E359 PolarHBondContact N-OE2 2.85Å; S75-E359 PolarHBondContact OG-OE2 3.2Å; I270-E359 HydrophobicContact CD1-CG 4.19Å; I270-E359 HydrophobicContact CG1-CG 3.74Å; I311-E359 HydrophobicContact CD1-CB 4.26Å; I311-E359 HydrophobicContact CD1-CG 4.11Å; A355-E359 PolarHBondContact O-N 2.82Å; A356-E359 WeakPolarHBondContact O-CB 2.84Å; A356-E359 PolarHBondContact O-N 2.8Å; A357-E359 VanDerWaalsContact C-N 3.33Å; A357-E359 PolarHBondContact O-N 3.44Å
360	V	94.8	Very high	95	Very high	58 Å²	58	24.5 Å²	24.5	35%	0.352	13%	0.127	S	C	.	.	H	α-helix	trans	-85	-27.8	-174.2	-56.4	0	0	0	0	113.7	L244 L266 A268 A356 A357 I358	L244-V360 HydrophobicContact CD2-CG2 3.89Å; L266-V360 HydrophobicContact CB-CG1 4.45Å; A268-V360 HydrophobicContact CB-CG1 4.04Å; A356-V360 WeakPolarHBondContact O-CG2 2.89Å; A356-V360 PolarHBondContact O-N 2.97Å; A357-V360 PolarHBondContact O-N 2.79Å; I358-V360 PolarHBondContact O-N 3.42Å
361	M	94.8	Very high	94.9	Very high	43 Å²	43	26.4 Å²	26.4	21%	0.212	15%	0.146	C	C	.	.	H	α-helix	trans	-96.8	-28.2	-175.4	-60.7	-177.3	70.6	0	0	114	L244 A357 R368 P370	L244-M361 HydrophobicContact CD2-CG 4.13Å; L244-M361 HydrophobicContact CD2-SD 3.78Å; A357-M361 VanDerWaalsContact O-CB 3.24Å; A357-M361 WeakPolarHBondContact O-CB 3.27Å; A357-M361 VanDerWaalsContact O-CG 3.28Å; A357-M361 WeakPolarHBondContact O-CG 3.15Å; A357-M361 PolarHBondContact O-N 2.88Å; M361-R368 HydrophobicContact CB-CB 3.91Å; M361-R368 WeakPolarHBondContact O-CB 3.31Å; M361-R368 WeakPolarHBondContact O-CG 3.48Å; M361-P370 HydrophobicContact SD-CB 4.42Å; M361-P370 HydrophobicContact SD-CG 3.65Å
362	S	94.5	Very high	94.8	Very high	8 Å²	8	26.8 Å²	26.8	6%	0.056	15%	0.148	C	C	.	.			trans	-77.6	147.5	-169.4	-57	0	0	0	0	113.2	K74 I358 G366 I367 R368	K74-S362 PolarHBondContact NZ-O 2.83Å; I358-S362 WeakPolarHBondContact CG2-OG 3.31Å; I358-S362 WeakPolarHBondContact O-CB 3.3Å; I358-S362 PolarHBondContact O-N 3.18Å; I358-S362 PolarHBondContact O-OG 2.84Å; S362-G366 WeakPolarHBondContact CB-O 3.39Å; S362-I367 WeakPolarHBondContact OG-CA 3.13Å; S362-R368 PolarHBondContact OG-N 3.07Å
363	A	88.4	Confident	94.8	Very high	54 Å²	54	23.9 Å²	23.9	45%	0.446	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-76.2	173.7	165.4	0	0	0	0	0	110.5	E365 G366	A363-E365 PolarHBondContact O-N 2.83Å; A363-G366 PolarHBondContact N-O 2.95Å; A363-G366 VanDerWaalsContact N-O 3.17Å
364	E	86.4	Confident	94.7	Very high	121 Å²	121	23.9 Å²	23.9	57%	0.565	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.9	-175.5	-170.9	56.1	-140.3	0	0	113.9	K77	K77-E364 IonicContact NZ-OE1 2.73Å; K77-E364 PolarHBondContact NZ-OE1 3.06Å
365	E	82.8	Confident	94.7	Very high	97 Å²	97	24.2 Å²	24.2	45%	0.453	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	8.5	-170.4	-68.5	-66.4	135.2	0	0	113.7	K77 A363 R433	K77-E365 IonicContact NZ-OE1 3.47Å; K77-E365 PolarHBondContact NZ-OE1 2.86Å; K77-E365 VanDerWaalsContact NZ-OE1 3.13Å; A363-E365 PolarHBondContact O-N 2.83Å; E365-R433 IonicContact OE2-NH2 2.8Å
366	G	90.2	Very high	94.6	Very high	8 Å²	8	25.1 Å²	25.1	8%	0.082	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-151.5	129.5	-174.2	0	0	0	0	0	112.8	S362 A363 G432	S362-G366 WeakPolarHBondContact CB-O 3.39Å; A363-G366 PolarHBondContact N-O 2.95Å; A363-G366 VanDerWaalsContact N-O 3.17Å; G366-G432 WeakPolarHBondContact CA-O 3.48Å
367	I	95.1	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.			trans	-69.5	142.3	179.4	-65.2	176.7	0	0	0	109.8	L78 A82 L84 I358 S362 W369 G432 R433 G435	L78-I367 HydrophobicContact CB-CD1 4.13Å; L78-I367 HydrophobicContact CB-CG1 3.8Å; L78-I367 HydrophobicContact CD1-CG1 4.2Å; L78-I367 HydrophobicContact CG-CG1 4.46Å; A82-I367 HydrophobicContact CB-CD1 3.75Å; L84-I367 HydrophobicContact CD1-CD1 3.38Å; L84-I367 HydrophobicContact CG-CD1 4.45Å; I358-I367 HydrophobicContact CD1-CG2 4.33Å; I358-I367 HydrophobicContact CG1-CG2 4.12Å; I358-I367 HydrophobicContact CG2-CG1 4.42Å; I358-I367 HydrophobicContact CG2-CG2 4.48Å; S362-I367 WeakPolarHBondContact OG-CA 3.13Å; I367-W369 HydrophobicContact CG2-CD2 4.13Å; I367-W369 HydrophobicContact CG2-CG 4.18Å; I367-W369 HydrophobicContact CG2-CZ2 4.3Å; I367-G432 PolarHBondContact N-O 2.73Å; I367-R433 WeakPolarHBondContact CB-O 3.42Å; I367-R433 WeakPolarHBondContact CD1-O 3.15Å; I367-R433 VanDerWaalsContact CG1-O 3.24Å; I367-R433 WeakPolarHBondContact CG1-O 3.48Å; I367-G435 WeakPolarHBondContact O-CA 3.34Å
368	R	96.1	Very high	94.6	Very high	39 Å²	39	25.2 Å²	25.2	15%	0.147	14%	0.144	C	C	.	.			trans	-125	123.1	165.9	-60.8	-64.9	179.9	-117	14.3	108.2	M361 S362 Q458	M361-R368 HydrophobicContact CB-CB 3.91Å; M361-R368 WeakPolarHBondContact O-CB 3.31Å; M361-R368 WeakPolarHBondContact O-CG 3.48Å; S362-R368 PolarHBondContact OG-N 3.07Å; R368-Q458 VanDerWaalsContact CZ-OE1 3.31Å; R368-Q458 PolarHBondContact NE-O 3Å; R368-Q458 PolarHBondContact NH2-O 3.48Å
369	W	96.7	Very high	94.7	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.027	14%	0.144	C	C	.	.			trans	-97.8	150	177.4	-66.1	100.9	0	0	0	110.3	L84 L354 I358 I367 G371 I373 A374 P375 L434	L84-W369 HydrophobicContact CD1-CH2 4.03Å; L84-W369 HydrophobicContact CD1-CZ2 3.53Å; L84-W369 HydrophobicContact CD2-CZ2 4.35Å; L354-W369 HydrophobicContact CD2-CZ3 4.18Å; I358-W369 HydrophobicContact CD1-CE3 4.39Å; I358-W369 HydrophobicContact CD1-CH2 3.68Å; I358-W369 HydrophobicContact CD1-CZ2 4.12Å; I358-W369 HydrophobicContact CD1-CZ3 3.81Å; I358-W369 HydrophobicContact CG1-CE3 4.29Å; I358-W369 HydrophobicContact CG1-CH2 4.43Å; I358-W369 HydrophobicContact CG1-CZ3 4.13Å; I367-W369 HydrophobicContact CG2-CD2 4.13Å; I367-W369 HydrophobicContact CG2-CG 4.18Å; I367-W369 HydrophobicContact CG2-CZ2 4.3Å; W369-G371 PolarHBondContact O-N 2.77Å; W369-I373 HydrophobicContact CE3-CG1 4.23Å; W369-A374 HydrophobicContact CB-CB 3.77Å; W369-A374 HydrophobicContact CG-CB 4.16Å; W369-P375 VanDerWaalsContact CE2-CD 3.46Å; W369-P375 HydrophobicContact CZ2-CG 3.87Å; W369-L434 PolarHBondContact NE1-O 3.46Å
370	P	96.8	Very high	94.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.14	C	C	.	.			trans	-52.4	133.3	152.7	-25.5	35.8	0	0	0	109.9	L242 L244 A357 M361 L372 I373 A374	L242-P370 HydrophobicContact CB-CB 4.27Å; L242-P370 HydrophobicContact CD2-CB 4.25Å; L242-P370 VanDerWaalsContact O-CB 3.3Å; L242-P370 WeakPolarHBondContact O-CB 3.42Å; L244-P370 HydrophobicContact CD2-CG 4.38Å; L244-P370 HydrophobicContact CG-CG 4.48Å; A357-P370 HydrophobicContact CB-CG 3.72Å; M361-P370 HydrophobicContact SD-CB 4.42Å; M361-P370 HydrophobicContact SD-CG 3.65Å; P370-L372 VanDerWaalsContact C-N 3.29Å; P370-L372 PolarHBondContact O-N 3.47Å; P370-I373 HydrophobicContact CB-CD1 3.88Å; P370-I373 HydrophobicContact CB-CG1 3.84Å; P370-I373 HydrophobicContact CG-CD1 3.57Å; P370-I373 HydrophobicContact CG-CG1 3.96Å; P370-I373 PolarHBondContact O-N 2.82Å; P370-A374 PolarHBondContact O-N 2.98Å
371	G	95.5	Very high	94.9	Very high	40 Å²	40	21.6 Å²	21.6	41%	0.412	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-52	-46.8	-174.1	0	0	0	0	0	112.8	W369 I373 A374 Q377	W369-G371 PolarHBondContact O-N 2.77Å; G371-I373 PolarHBondContact O-N 3.36Å; G371-I373 VanDerWaalsContact O-N 3.16Å; G371-A374 PolarHBondContact O-N 3.29Å; G371-Q377 PolarHBondContact O-NE2 3.31Å
372	L	97.2	Very high	95	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.042	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-62.3	-23.6	-179	-65.3	179.5	0	0	0	114.8	V109 R241 L242 P370 E479 V481	V109-L372 HydrophobicContact CG2-CB 4.36Å; V109-L372 HydrophobicContact CG2-CD1 4.36Å; R241-L372 HydrophobicContact CB-CD1 4.06Å; R241-L372 WeakPolarHBondContact O-CD1 3.35Å; L242-L372 HydrophobicContact CD2-CB 4.44Å; P370-L372 VanDerWaalsContact C-N 3.29Å; P370-L372 PolarHBondContact O-N 3.47Å; L372-E479 HydrophobicContact CD2-CB 3.63Å; L372-V481 HydrophobicContact CB-CG2 3.86Å; L372-V481 HydrophobicContact CD2-CG2 3.72Å; L372-V481 HydrophobicContact CG-CG2 4.24Å
373	I	97.8	Very high	95.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-118.1	5.4	-174.4	81.2	-168.4	0	0	0	113.3	S102 K105 L106 L242 L354 W369 P370 G371	S102-I373 WeakPolarHBondContact CB-O 3.41Å; S102-I373 PolarHBondContact OG-O 2.85Å; K105-I373 HydrophobicContact CB-CB 4.39Å; K105-I373 HydrophobicContact CB-CG2 4.42Å; L106-I373 HydrophobicContact CB-CG2 4.03Å; L106-I373 HydrophobicContact CD1-CG2 4.4Å; L242-I373 HydrophobicContact CD2-CD1 4.35Å; L242-I373 HydrophobicContact CD2-CG2 3.59Å; L354-I373 HydrophobicContact CD2-CD1 3.84Å; L354-I373 HydrophobicContact CD2-CG1 4.4Å; W369-I373 HydrophobicContact CE3-CG1 4.23Å; P370-I373 HydrophobicContact CB-CD1 3.88Å; P370-I373 HydrophobicContact CB-CG1 3.84Å; P370-I373 HydrophobicContact CG-CD1 3.57Å; P370-I373 HydrophobicContact CG-CG1 3.96Å; P370-I373 PolarHBondContact O-N 2.82Å; G371-I373 PolarHBondContact O-N 3.36Å; G371-I373 VanDerWaalsContact O-N 3.16Å
374	A	97.8	Very high	95.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.			trans	-54.6	134.8	169.2	0	0	0	0	0	109.5	K105 W369 P370 G371 Y376 P437	K105-A374 WeakPolarHBondContact CD-O 3.33Å; K105-A374 PolarHBondContact NZ-O 2.99Å; W369-A374 HydrophobicContact CB-CB 3.77Å; W369-A374 HydrophobicContact CG-CB 4.16Å; P370-A374 PolarHBondContact O-N 2.98Å; G371-A374 PolarHBondContact O-N 3.29Å; A374-Y376 VanDerWaalsContact C-N 3.27Å; A374-Y376 PolarHBondContact O-N 2.9Å; A374-P437 HydrophobicContact CB-CG 3.55Å
375	P	96.6	Very high	95.8	Very high	7 Å²	7	22.5 Å²	22.5	5%	0.045	11%	0.113	C	C	.	.	S	Bend	trans	-55.4	-47.2	-178.8	-20.6	25.4	0	0	0	111.1	R101 S102 K105 W369	R101-P375 WeakPolarHBondContact CD-O 3.17Å; R101-P375 PolarHBondContact NE-O 2.91Å; S102-P375 WeakPolarHBondContact OG-CD 3.31Å; S102-P375 WeakPolarHBondContact OG-CG 3.3Å; K105-P375 PolarHBondContact NZ-O 3.35Å; K105-P375 VanDerWaalsContact NZ-O 3.09Å; W369-P375 VanDerWaalsContact CE2-CD 3.46Å; W369-P375 HydrophobicContact CZ2-CG 3.87Å
376	Y	96.8	Very high	96.3	Very high	18 Å²	18	21.2 Å²	21.2	7%	0.071	13%	0.125	C	C	.	.			trans	-136.6	143.2	174.9	-55.5	-79.5	0	0	0	108.8	L47 L52 A374 V415 Y436 P437	L47-Y376 HydrophobicContact CD1-CD1 4.04Å; L47-Y376 HydrophobicContact CD1-CE1 3.44Å; L47-Y376 VanDerWaalsContact CD1-CE1 3.44Å; L52-Y376 HydrophobicContact CD1-CE2 3.96Å; A374-Y376 VanDerWaalsContact C-N 3.27Å; A374-Y376 PolarHBondContact O-N 2.9Å; Y376-V415 HydrophobicContact CD1-CG1 3.64Å; Y376-V415 HydrophobicContact CD2-CG1 3.78Å; Y376-V415 HydrophobicContact CE1-CG1 4.03Å; Y376-V415 HydrophobicContact CE2-CG1 4.13Å; Y376-V415 HydrophobicContact CG-CG1 3.5Å; Y376-V415 VanDerWaalsContact CG-CG1 3.5Å; Y376-Y436 AromaticContact CD2-CE1 3.91Å; Y376-Y436 HydrophobicContact CD2-CE1 3.91Å; Y376-Y436 HydrophobicContact CG-CE1 4.3Å; Y376-P437 WeakPolarHBondContact O-CD 3.26Å
377	Q	97.4	Very high	96.5	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.014	13%	0.134	C	C	.	.	S	Bend	trans	-78.3	-39.4	-177.7	-63.9	-57.4	-32.4	0	0	113.1	G371 L410 E413 P437 Y438 V478 T480	G371-Q377 PolarHBondContact O-NE2 3.31Å; Q377-L410 HydrophobicContact CB-CD2 4.11Å; Q377-L410 HydrophobicContact CG-CD2 4.09Å; Q377-E413 HydrophobicContact CB-CB 4.07Å; Q377-E413 HydrophobicContact CG-CB 3.94Å; Q377-E413 HydrophobicContact CG-CG 4.19Å; Q377-E413 PolarHBondContact N-O 2.93Å; Q377-E413 PolarHBondContact N-OE2 2.91Å; Q377-P437 WeakPolarHBondContact O-CD 3.32Å; Q377-Y438 PolarHBondContact O-N 3.07Å; Q377-V478 HydrophobicContact CB-CG1 4.15Å; Q377-V478 HydrophobicContact CG-CG1 3.76Å; Q377-T480 HydrophobicContact CG-CG2 3.87Å
378	V	97.8	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.6	-168.2	-172.2	0	0	0	0	110.9	V380 L403 L410 E413 V414 V415 Y438 V440 L475	V378-V380 HydrophobicContact CG1-CG2 4.26Å; V378-L403 HydrophobicContact CG1-CD1 4.39Å; V378-L410 HydrophobicContact CG2-CD1 4.43Å; V378-E413 PolarHBondContact N-O 3.26Å; V378-V414 HydrophobicContact CB-CG1 4.24Å; V378-V414 HydrophobicContact CB-CG2 4.18Å; V378-V414 HydrophobicContact CG1-CG1 4.34Å; V378-V414 CarbonylContact O-C 3.48Å; V378-V414 WeakPolarHBondContact O-CA 3.27Å; V378-V415 PolarHBondContact O-N 3.48Å; V378-Y438 CarbonylContact C-O 3.51Å; V378-Y438 WeakPolarHBondContact CA-O 3.48Å; V378-V440 HydrophobicContact CG1-CG2 3.9Å; V378-L475 HydrophobicContact CG1-CD1 4.44Å; V378-L475 HydrophobicContact CG2-CD1 4.04Å; V378-L475 HydrophobicContact CG2-CD2 3.82Å
379	C	97.8	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.2	168.4	-178.4	0	0	0	0	110	V415 Y436 Y438 V439 V440	C379-V415 WeakPolarHBondContact CA-O 3.23Å; C379-V415 HydrophobicContact CB-CG2 3.76Å; C379-Y436 HydrophobicContact CB-CD1 4.22Å; C379-Y436 HydrophobicContact CB-CD2 3.56Å; C379-Y436 HydrophobicContact CB-CE2 4Å; C379-Y436 HydrophobicContact CB-CG 3.68Å; C379-Y438 PolarHBondContact N-O 2.69Å; C379-V439 CarbonylContact O-C 3.58Å; C379-V439 WeakPolarHBondContact O-CA 3.29Å; C379-V440 PolarHBondContact O-N 2.97Å
380	V	98.2	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.8	176.1	-179.7	0	0	0	0	109.4	V378 P382 A396 L399 V400 L403 V414 V415 F416 D417 V440 V442	V378-V380 HydrophobicContact CG1-CG2 4.26Å; V380-P382 WeakPolarHBondContact O-CD 3.44Å; V380-A396 HydrophobicContact CG1-CB 4.4Å; V380-L399 HydrophobicContact CG1-CD2 4.42Å; V380-V400 HydrophobicContact CB-CG2 3.7Å; V380-V400 HydrophobicContact CG1-CG2 3.95Å; V380-V400 HydrophobicContact CG2-CG2 3.71Å; V380-L403 HydrophobicContact CG2-CD1 4.33Å; V380-V414 HydrophobicContact CG2-CG1 3.89Å; V380-V415 PolarHBondContact N-O 3.29Å; V380-F416 HydrophobicContact CB-CD2 4.22Å; V380-F416 HydrophobicContact CG1-CD2 4.16Å; V380-F416 HydrophobicContact CG1-CE2 4.41Å; V380-D417 PolarHBondContact O-N 3.43Å; V380-V440 CarbonylContact C-O 3.52Å; V380-V440 WeakPolarHBondContact CA-O 3.48Å; V380-V440 HydrophobicContact CG2-CB 4.39Å; V380-V442 HydrophobicContact CG1-CG2 4.15Å
381	L	97.9	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	105.5	177.5	-56.5	-167.4	0	0	0	109.8	D417 I424 R427 L428 V439 V440 V441 V442	L381-D417 HydrophobicContact CD2-CB 3.28Å; L381-I424 HydrophobicContact CB-CD1 4.44Å; L381-R427 HydrophobicContact CD1-CB 3.99Å; L381-R427 HydrophobicContact CD2-CB 4.12Å; L381-L428 HydrophobicContact CD1-CD2 3.63Å; L381-L428 HydrophobicContact CD1-CG 3.8Å; L381-V439 HydrophobicContact CD1-CG1 3.84Å; L381-V439 HydrophobicContact CG-CG1 3.82Å; L381-V440 PolarHBondContact N-O 3.49Å; L381-V441 HydrophobicContact CB-CG2 4.43Å; L381-V441 HydrophobicContact CD1-CG2 4.2Å; L381-V442 PolarHBondContact O-N 3.44Å
382	P	97.4	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-68.5	163	169.7	30.3	-37.3	0	0	0	111.1	V380 A396 F416 D417 T420 I424 R427	V380-P382 WeakPolarHBondContact O-CD 3.44Å; P382-A396 HydrophobicContact CB-CB 3.73Å; P382-F416 HydrophobicContact CB-CE2 3.78Å; P382-F416 HydrophobicContact CB-CZ 3.68Å; P382-F416 HydrophobicContact CG-CD2 4.44Å; P382-F416 HydrophobicContact CG-CE1 4.11Å; P382-F416 HydrophobicContact CG-CE2 3.62Å; P382-F416 HydrophobicContact CG-CZ 3.43Å; P382-F416 VanDerWaalsContact CG-CZ 3.43Å; P382-D417 VanDerWaalsContact CD-O 3.31Å; P382-D417 WeakPolarHBondContact CD-O 3.43Å; P382-D417 WeakPolarHBondContact CG-O 3.39Å; P382-T420 HydrophobicContact CB-CG2 4.45Å; P382-T420 HydrophobicContact CG-CG2 3.78Å; P382-I424 VanDerWaalsContact O-CD1 3.31Å; P382-I424 WeakPolarHBondContact O-CD1 3.47Å; P382-R427 VanDerWaalsContact O-CZ 3.26Å; P382-R427 PolarHBondContact O-NH1 2.84Å; P382-R427 PolarHBondContact O-NH2 2.83Å
383	P	96.7	Very high	95.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.019	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-47.4	159.9	169.6	-29.7	35.9	0	0	0	114.7	V389 A392 R427 V442	P383-V389 HydrophobicContact CB-CG2 4.07Å; P383-V389 WeakPolarHBondContact CB-O 3.19Å; P383-V389 HydrophobicContact CG-CG2 4.45Å; P383-V389 WeakPolarHBondContact CG-O 3.37Å; P383-A392 HydrophobicContact CG-CB 3.82Å; P383-R427 PolarHBondContact O-NH2 3.45Å; P383-V442 VanDerWaalsContact CD-O 3.3Å; P383-V442 WeakPolarHBondContact CD-O 3.45Å; P383-V442 WeakPolarHBondContact CG-O 3.48Å
384	K	95.6	Very high	94.9	Very high	90 Å²	90	43.9 Å²	43.9	39%	0.391	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-72.8	134.2	168.4	-174.8	-167.5	173.9	-172.1	0	108.6	G386 S387 T420	K384-G386 PolarHBondContact O-N 3.41Å; K384-S387 WeakPolarHBondContact O-CB 3.48Å; K384-S387 PolarHBondContact O-N 3.01Å; K384-S387 VanDerWaalsContact O-N 3.09Å; K384-S387 PolarHBondContact O-OG 3.31Å; K384-T420 WeakPolarHBondContact CA-O 3.5Å; K384-T420 WeakPolarHBondContact CG-O 3.36Å
385	K	94.3	Very high	94.7	Very high	151 Å²	151	46.2 Å²	46.2	66%	0.657	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.2	177.2	-171.7	172.7	-177.6	174.2	0	111.2	S387 D390 T420	K385-S387 VanDerWaalsContact C-N 3.25Å; K385-S387 PolarHBondContact O-N 3.32Å; K385-D390 WeakPolarHBondContact CA-OD1 3.33Å; K385-T420 PolarHBondContact N-O 2.81Å
386	G	93.2	Very high	94.7	Very high	69 Å²	69	45.9 Å²	45.9	71%	0.711	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	13.1	-177.3	0	0	0	0	0	115	K384 D390	K384-G386 PolarHBondContact O-N 3.41Å; G386-D390 VanDerWaalsContact N-CG 3.34Å; G386-D390 PolarHBondContact N-OD2 3.45Å
387	S	93.5	Very high	94.4	Very high	39 Å²	39	50.8 Å²	50.8	27%	0.273	27%	0.268	S	S	.	.	S	Bend	trans	-80.9	169.4	170.6	70.7	0	0	0	0	111.6	K384 K385 V389 D390	K384-S387 WeakPolarHBondContact O-CB 3.48Å; K384-S387 PolarHBondContact O-N 3.01Å; K384-S387 VanDerWaalsContact O-N 3.09Å; K384-S387 PolarHBondContact O-OG 3.31Å; K385-S387 VanDerWaalsContact C-N 3.25Å; K385-S387 PolarHBondContact O-N 3.32Å; S387-V389 PolarHBondContact O-N 3.27Å; S387-V389 WeakPolarHBondContact OG-CG2 3.37Å; S387-D390 WeakPolarHBondContact O-CB 3.28Å; S387-D390 PolarHBondContact O-N 3.46Å
388	K	91.6	Very high	94.2	Very high	205 Å²	205	55.8 Å²	55.8	89%	0.891	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.4	176.9	-64.8	-174.7	179.1	-176.9	0	114
389	V	92	Very high	94	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.145	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	16.3	-177.1	-67.8	0	0	0	0	112.2	P383 S387 E391 A392 Q444 L447	P383-V389 HydrophobicContact CB-CG2 4.07Å; P383-V389 WeakPolarHBondContact CB-O 3.19Å; P383-V389 HydrophobicContact CG-CG2 4.45Å; P383-V389 WeakPolarHBondContact CG-O 3.37Å; S387-V389 PolarHBondContact O-N 3.27Å; S387-V389 WeakPolarHBondContact OG-CG2 3.37Å; V389-E391 PolarHBondContact O-N 3.2Å; V389-A392 WeakPolarHBondContact O-CB 3.5Å; V389-A392 PolarHBondContact O-N 3.02Å; V389-Q444 HydrophobicContact CG1-CB 4.03Å; V389-L447 HydrophobicContact CB-CD1 4.25Å; V389-L447 HydrophobicContact CG1-CD1 4.09Å
390	D	89.4	Confident	93.8	Very high	56 Å²	56	56.6 Å²	56.6	30%	0.299	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-60.3	-27.3	-177.1	-157.4	26.1	0	0	0	112.7	K385 G386 S387 A392 A393	K385-D390 WeakPolarHBondContact CA-OD1 3.33Å; G386-D390 VanDerWaalsContact N-CG 3.34Å; G386-D390 PolarHBondContact N-OD2 3.45Å; S387-D390 WeakPolarHBondContact O-CB 3.28Å; S387-D390 PolarHBondContact O-N 3.46Å; D390-A392 PolarHBondContact O-N 2.94Å; D390-A393 WeakPolarHBondContact O-CB 3.46Å; D390-A393 PolarHBondContact O-N 3.02Å
391	E	91.4	Very high	93.4	Very high	145 Å²	145	60.1 Å²	60.1	68%	0.678	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-60.5	-23.9	174	61.5	-179.4	-169.3	0	0	113.7	V389 A393 L447	V389-E391 PolarHBondContact O-N 3.2Å; E391-A393 PolarHBondContact O-N 3.16Å; E391-L447 HydrophobicContact CG-CD1 3.82Å; E391-L447 HydrophobicContact CG-CD2 3.88Å; E391-L447 WeakPolarHBondContact OE1-CD1 2.74Å
392	A	93.1	Very high	93	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.008	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-75.6	-3	174.9	0	0	0	0	0	113.4	P383 V389 D390 T394 M395 A396 V442 A446 L447	P383-A392 HydrophobicContact CG-CB 3.82Å; V389-A392 WeakPolarHBondContact O-CB 3.5Å; V389-A392 PolarHBondContact O-N 3.02Å; D390-A392 PolarHBondContact O-N 2.94Å; A392-T394 PolarHBondContact O-N 2.95Å; A392-M395 WeakPolarHBondContact O-CB 3.45Å; A392-M395 PolarHBondContact O-N 3.37Å; A392-A396 PolarHBondContact O-N 2.87Å; A392-V442 HydrophobicContact CB-CG1 4.13Å; A392-A446 HydrophobicContact CB-CB 4.5Å; A392-L447 HydrophobicContact CB-CD1 4.31Å; A392-L447 HydrophobicContact CB-CD2 3.87Å; A392-L447 HydrophobicContact CB-CG 4.02Å
393	A	93.1	Very high	92.8	Very high	24 Å²	24	61.5 Å²	61.5	20%	0.198	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-42.1	178.8	0	0	0	0	0	112.6	D390 E391 M395 A396 E397	D390-A393 WeakPolarHBondContact O-CB 3.46Å; D390-A393 PolarHBondContact O-N 3.02Å; E391-A393 PolarHBondContact O-N 3.16Å; A393-M395 VanDerWaalsContact C-N 3.26Å; A393-M395 PolarHBondContact O-N 2.85Å; A393-A396 WeakPolarHBondContact O-CB 3.28Å; A393-A396 PolarHBondContact O-N 2.89Å; A393-A396 VanDerWaalsContact O-N 3.07Å; A393-E397 PolarHBondContact O-N 3.11Å; A393-E397 VanDerWaalsContact O-N 3.14Å
394	T	91.8	Very high	92.3	Very high	85 Å²	85	62.2 Å²	62.2	52%	0.521	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-40.3	176.4	-49.4	0	0	0	0	111.1	A392 A396 E397 E398	A392-T394 PolarHBondContact O-N 2.95Å; T394-A396 VanDerWaalsContact C-N 3.28Å; T394-A396 PolarHBondContact O-N 3.41Å; T394-E397 PolarHBondContact O-N 2.76Å; T394-E398 WeakPolarHBondContact O-CG 3.33Å; T394-E398 PolarHBondContact O-N 3.39Å
395	M	94.3	Very high	91.9	Very high	50 Å²	50	61.2 Å²	61.2	25%	0.246	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-33.8	177.6	-165.1	178.8	-53.5	0	0	112.2	A392 A393 L399 A446 P451 F453	A392-M395 WeakPolarHBondContact O-CB 3.45Å; A392-M395 PolarHBondContact O-N 3.37Å; A393-M395 VanDerWaalsContact C-N 3.26Å; A393-M395 PolarHBondContact O-N 2.85Å; M395-L399 VanDerWaalsContact O-CB 3.23Å; M395-L399 WeakPolarHBondContact O-CB 3.33Å; M395-L399 PolarHBondContact O-N 2.71Å; M395-A446 WeakPolarHBondContact CE-O 3.48Å; M395-A446 HydrophobicContact SD-CB 3.79Å; M395-P451 HydrophobicContact SD-CB 4.06Å; M395-F453 HydrophobicContact CG-CE1 4.21Å; M395-F453 HydrophobicContact CG-CZ 4.29Å; M395-F453 HydrophobicContact SD-CE1 3.95Å; M395-F453 HydrophobicContact SD-CZ 3.98Å
396	A	94.7	Very high	91.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-40	175.8	0	0	0	0	0	112.3	V380 P382 A392 A393 T394 L399 V400 F416 V442	V380-A396 HydrophobicContact CG1-CB 4.4Å; P382-A396 HydrophobicContact CB-CB 3.73Å; A392-A396 PolarHBondContact O-N 2.87Å; A393-A396 WeakPolarHBondContact O-CB 3.28Å; A393-A396 PolarHBondContact O-N 2.89Å; A393-A396 VanDerWaalsContact O-N 3.07Å; T394-A396 VanDerWaalsContact C-N 3.28Å; T394-A396 PolarHBondContact O-N 3.41Å; A396-L399 PolarHBondContact O-N 3.45Å; A396-V400 WeakPolarHBondContact O-CG2 3.24Å; A396-V400 PolarHBondContact O-N 3.48Å; A396-F416 HydrophobicContact CB-CE2 3.89Å; A396-V442 HydrophobicContact CB-CB 3.87Å; A396-V442 HydrophobicContact CB-CG1 4.09Å; A396-V442 HydrophobicContact CB-CG2 3.63Å
397	E	92.2	Very high	91.9	Very high	120 Å²	120	56.7 Å²	56.7	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-64.9	-46.2	174.7	-67.4	-179.1	-178.3	0	0	111.4	A393 T394 L399 V400 H401 F416	A393-E397 PolarHBondContact O-N 3.11Å; A393-E397 VanDerWaalsContact O-N 3.14Å; T394-E397 PolarHBondContact O-N 2.76Å; E397-L399 VanDerWaalsContact C-N 3.29Å; E397-L399 PolarHBondContact O-N 2.95Å; E397-V400 PolarHBondContact O-N 3.2Å; E397-H401 PolarHBondContact O-N 3.29Å; E397-F416 HydrophobicContact CG-CE1 4.26Å; E397-F416 HydrophobicContact CG-CE2 4.42Å; E397-F416 HydrophobicContact CG-CZ 3.79Å
398	E	92.1	Very high	91.9	Very high	109 Å²	109	58.9 Å²	58.9	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-39.6	174.2	-73.6	178.8	-171.1	0	0	111.9	T394 V400 H401 N402	T394-E398 WeakPolarHBondContact O-CG 3.33Å; T394-E398 PolarHBondContact O-N 3.39Å; E398-V400 PolarHBondContact O-N 3.24Å; E398-H401 PolarHBondContact O-N 3.01Å; E398-N402 VanDerWaalsContact O-CB 3.3Å; E398-N402 WeakPolarHBondContact O-CB 3.18Å; E398-N402 PolarHBondContact O-N 3.45Å; E398-N402 PolarHBondContact O-ND2 3.3Å
399	L	93.8	Very high	91.9	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-46.2	178.5	178.6	61	0	0	0	111.4	V380 M395 A396 E397 H401 N402 L403 V440 V442 F453 L471	V380-L399 HydrophobicContact CG1-CD2 4.42Å; M395-L399 VanDerWaalsContact O-CB 3.23Å; M395-L399 WeakPolarHBondContact O-CB 3.33Å; M395-L399 PolarHBondContact O-N 2.71Å; A396-L399 PolarHBondContact O-N 3.45Å; E397-L399 VanDerWaalsContact C-N 3.29Å; E397-L399 PolarHBondContact O-N 2.95Å; L399-H401 VanDerWaalsContact C-N 3.29Å; L399-H401 PolarHBondContact O-N 2.97Å; L399-N402 PolarHBondContact O-N 2.94Å; L399-L403 HydrophobicContact CD1-CD1 4.41Å; L399-L403 HydrophobicContact CD1-CD2 4.39Å; L399-L403 HydrophobicContact CD1-CG 4.1Å; L399-L403 HydrophobicContact CG-CD1 4.28Å; L399-L403 HydrophobicContact CG-CG 4.4Å; L399-L403 WeakPolarHBondContact O-CG 3.15Å; L399-L403 PolarHBondContact O-N 3.49Å; L399-V440 HydrophobicContact CD2-CG1 3.86Å; L399-V442 HydrophobicContact CD2-CG2 4.16Å; L399-F453 HydrophobicContact CD1-CZ 4.5Å; L399-F453 HydrophobicContact CD2-CD1 3.87Å; L399-F453 HydrophobicContact CD2-CE1 3.92Å; L399-F453 HydrophobicContact CD2-CG 4.22Å; L399-F453 HydrophobicContact CD2-CZ 4.33Å; L399-L471 HydrophobicContact CD1-CD2 3.74Å; L399-L471 HydrophobicContact CD2-CD2 4.03Å; L399-L471 HydrophobicContact CG-CD2 4.42Å
400	V	92.9	Very high	92	Very high	11 Å²	11	51 Å²	51	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-43.1	177.4	176.6	0	0	0	0	111	P46 V380 A396 E397 E398 G404 V414 F416	P46-V400 HydrophobicContact CB-CG1 3.66Å; V380-V400 HydrophobicContact CB-CG2 3.7Å; V380-V400 HydrophobicContact CG1-CG2 3.95Å; V380-V400 HydrophobicContact CG2-CG2 3.71Å; A396-V400 WeakPolarHBondContact O-CG2 3.24Å; A396-V400 PolarHBondContact O-N 3.48Å; E397-V400 PolarHBondContact O-N 3.2Å; E398-V400 PolarHBondContact O-N 3.24Å; V400-G404 PolarHBondContact O-N 3.05Å; V400-V414 HydrophobicContact CG1-CG1 3.98Å; V400-V414 HydrophobicContact CG2-CG1 4.3Å; V400-F416 HydrophobicContact CG2-CB 4.12Å; V400-F416 HydrophobicContact CG2-CD2 3.65Å; V400-F416 HydrophobicContact CG2-CE2 4.45Å; V400-F416 HydrophobicContact CG2-CG 4.25Å
401	H	89.5	Confident	92.1	Very high	74 Å²	74	56.1 Å²	56.1	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-45.7	177.1	-175.1	48.4	0	0	0	111.9	V43 E397 E398 L399 L403 G404 Q405	V43-H401 WeakPolarHBondContact CG1-CE1 3.47Å; V43-H401 WeakPolarHBondContact CG1-ND1 3.49Å; V43-H401 WeakPolarHBondContact CG2-CE1 3.1Å; E397-H401 PolarHBondContact O-N 3.29Å; E398-H401 PolarHBondContact O-N 3.01Å; L399-H401 VanDerWaalsContact C-N 3.29Å; L399-H401 PolarHBondContact O-N 2.97Å; H401-L403 PolarHBondContact O-N 3.01Å; H401-G404 PolarHBondContact O-N 3.21Å; H401-Q405 WeakPolarHBondContact O-CB 2.94Å; H401-Q405 PolarHBondContact O-N 2.82Å
402	N	91	Very high	92.1	Very high	29 Å²	29	50.7 Å²	50.7	16%	0.155	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-46.3	178.8	-74.9	-39.6	0	0	0	111.6	E398 L399 G404 Q405 F406 K468	E398-N402 VanDerWaalsContact O-CB 3.3Å; E398-N402 WeakPolarHBondContact O-CB 3.18Å; E398-N402 PolarHBondContact O-N 3.45Å; E398-N402 PolarHBondContact O-ND2 3.3Å; L399-N402 PolarHBondContact O-N 2.94Å; N402-G404 VanDerWaalsContact C-N 3.34Å; N402-G404 PolarHBondContact O-N 3.41Å; N402-Q405 PolarHBondContact O-N 2.63Å; N402-Q405 VanDerWaalsContact O-N 3.12Å; N402-F406 HydrophobicContact CB-CD2 4.02Å; N402-F406 HydrophobicContact CB-CE2 4.14Å; N402-F406 WeakPolarHBondContact O-CD2 3.26Å; N402-F406 PolarHBondContact O-N 3.06Å; N402-K468 PolarHBondContact ND2-NZ 3.2Å
403	L	92.8	Very high	92.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-47.5	178	-69.6	177.3	0	0	0	111.2	V378 V380 L399 H401 Q405 L407 V414 L471 L472 L475	V378-L403 HydrophobicContact CG1-CD1 4.39Å; V380-L403 HydrophobicContact CG2-CD1 4.33Å; L399-L403 HydrophobicContact CD1-CD1 4.41Å; L399-L403 HydrophobicContact CD1-CD2 4.39Å; L399-L403 HydrophobicContact CD1-CG 4.1Å; L399-L403 HydrophobicContact CG-CD1 4.28Å; L399-L403 HydrophobicContact CG-CG 4.4Å; L399-L403 WeakPolarHBondContact O-CG 3.15Å; L399-L403 PolarHBondContact O-N 3.49Å; H401-L403 PolarHBondContact O-N 3.01Å; L403-Q405 VanDerWaalsContact C-N 3.28Å; L403-Q405 PolarHBondContact O-N 2.79Å; L403-L407 HydrophobicContact CD2-CD1 4.37Å; L403-L407 WeakPolarHBondContact O-CA 3.21Å; L403-L407 WeakPolarHBondContact O-CB 3.26Å; L403-L407 PolarHBondContact O-N 2.82Å; L403-V414 HydrophobicContact CB-CG2 4.22Å; L403-V414 HydrophobicContact CD1-CG1 4.33Å; L403-V414 HydrophobicContact CD1-CG2 4.44Å; L403-L471 HydrophobicContact CD2-CD2 4.46Å; L403-L471 HydrophobicContact CD2-CG 4.41Å; L403-L472 HydrophobicContact CD2-CD2 3.91Å; L403-L475 HydrophobicContact CD1-CD1 4.07Å; L403-L475 HydrophobicContact CD2-CD1 3.7Å
404	G	85.6	Confident	92.4	Very high	17 Å²	17	50.4 Å²	50.4	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-70.5	-19.6	178.5	0	0	0	0	0	115	V400 H401 N402	V400-G404 PolarHBondContact O-N 3.05Å; H401-G404 PolarHBondContact O-N 3.21Å; N402-G404 VanDerWaalsContact C-N 3.34Å; N402-G404 PolarHBondContact O-N 3.41Å
405	Q	88.3	Confident	92.6	Very high	70 Å²	70	46.4 Å²	46.4	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-85.3	-48.6	175.9	176.2	172.4	-42.9	0	0	112.1	R41 H401 N402 L403	R41-Q405 VanDerWaalsContact NH1-CD 3.31Å; R41-Q405 VanDerWaalsContact NH1-NE2 3.13Å; H401-Q405 WeakPolarHBondContact O-CB 2.94Å; H401-Q405 PolarHBondContact O-N 2.82Å; N402-Q405 PolarHBondContact O-N 2.63Å; N402-Q405 VanDerWaalsContact O-N 3.12Å; L403-Q405 VanDerWaalsContact C-N 3.28Å; L403-Q405 PolarHBondContact O-N 2.79Å
406	F	93.1	Very high	92.7	Very high	106 Å²	106	44.6 Å²	44.6	47%	0.465	22%	0.223	S	C	.	.	H	α-helix	trans	-83.9	-24.4	-174.6	-68.6	-68.9	0	0	0	113	N402 P408 L472	N402-F406 HydrophobicContact CB-CD2 4.02Å; N402-F406 HydrophobicContact CB-CE2 4.14Å; N402-F406 WeakPolarHBondContact O-CD2 3.26Å; N402-F406 PolarHBondContact O-N 3.06Å; F406-P408 WeakPolarHBondContact O-CD 3.49Å; F406-L472 HydrophobicContact CB-CD1 4.49Å; F406-L472 HydrophobicContact CB-CD2 3.95Å
407	L	94.7	Very high	92.8	Very high	18 Å²	18	44.7 Å²	44.7	9%	0.094	22%	0.224	C	C	.	.			trans	-120	83.2	177.6	-55.8	177.6	0	0	0	109.3	L403 H409 L410 L472 L475	L403-L407 HydrophobicContact CD2-CD1 4.37Å; L403-L407 WeakPolarHBondContact O-CA 3.21Å; L403-L407 WeakPolarHBondContact O-CB 3.26Å; L403-L407 PolarHBondContact O-N 2.82Å; L407-H409 PolarHBondContact O-N 3.15Å; L407-H409 VanDerWaalsContact O-N 3.13Å; L407-L410 HydrophobicContact CB-CB 4.24Å; L407-L410 HydrophobicContact CB-CD1 4.02Å; L407-L410 HydrophobicContact CB-CG 4.1Å; L407-L410 HydrophobicContact CD1-CD1 3.62Å; L407-L410 HydrophobicContact CG-CD1 4.49Å; L407-L410 PolarHBondContact O-N 2.75Å; L407-L472 HydrophobicContact CD1-CD2 3.99Å; L407-L472 HydrophobicContact CG-CD2 4.02Å; L407-L475 HydrophobicContact CD1-CB 3.59Å
408	P	92	Very high	93	Very high	85 Å²	85	40.9 Å²	40.9	55%	0.552	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-57.2	-30.6	-174.7	-26.9	35.2	0	0	0	114.2	F406 L410 R411	F406-P408 WeakPolarHBondContact O-CD 3.49Å; P408-L410 PolarHBondContact O-N 2.73Å; P408-R411 WeakPolarHBondContact O-CB 3.43Å; P408-R411 PolarHBondContact O-N 3.06Å; P408-R411 VanDerWaalsContact O-N 3.15Å
409	H	93	Very high	93.1	Very high	64 Å²	64	37.2 Å²	37.2	30%	0.296	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-67.3	-20.9	176.1	62.5	-76.3	0	0	0	113.1	L407 R411 L475 V478 T480	L407-H409 PolarHBondContact O-N 3.15Å; L407-H409 VanDerWaalsContact O-N 3.13Å; H409-R411 VanDerWaalsContact C-N 3.35Å; H409-L475 PolarHBondContact NE2-O 2.82Å; H409-V478 PolarHBondContact CD2-O 3Å; H409-V478 PolarHBondContact NE2-O 3.4Å; H409-T480 PolarHBondContact O-OG1 3.09Å
410	L	94.1	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-90.2	3.8	173.8	-61.6	-175.8	0	0	0	113.6	Q377 V378 L407 P408 G412 E413 V414 L475 V478 T480	Q377-L410 HydrophobicContact CB-CD2 4.11Å; Q377-L410 HydrophobicContact CG-CD2 4.09Å; V378-L410 HydrophobicContact CG2-CD1 4.43Å; L407-L410 HydrophobicContact CB-CB 4.24Å; L407-L410 HydrophobicContact CB-CD1 4.02Å; L407-L410 HydrophobicContact CB-CG 4.1Å; L407-L410 HydrophobicContact CD1-CD1 3.62Å; L407-L410 HydrophobicContact CG-CD1 4.49Å; L407-L410 PolarHBondContact O-N 2.75Å; P408-L410 PolarHBondContact O-N 2.73Å; L410-G412 PolarHBondContact O-N 3.04Å; L410-G412 VanDerWaalsContact O-N 3.07Å; L410-E413 HydrophobicContact CB-CB 4.37Å; L410-E413 HydrophobicContact CD2-CB 4.17Å; L410-E413 WeakPolarHBondContact O-CB 3.4Å; L410-E413 PolarHBondContact O-N 3.04Å; L410-V414 HydrophobicContact CB-CG2 4.22Å; L410-L475 HydrophobicContact CD1-CB 3.88Å; L410-L475 HydrophobicContact CD1-CD1 4.42Å; L410-V478 HydrophobicContact CD2-CB 4.35Å; L410-V478 HydrophobicContact CD2-CG1 4.14Å; L410-T480 HydrophobicContact CD2-CG2 3.97Å
411	R	90.6	Very high	93.2	Very high	163 Å²	163	44.4 Å²	44.4	62%	0.615	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	114.2	177.7	-173	179.8	-67.7	169.7	-0.1	110.3	P408 H409 E413	P408-R411 WeakPolarHBondContact O-CB 3.43Å; P408-R411 PolarHBondContact O-N 3.06Å; P408-R411 VanDerWaalsContact O-N 3.15Å; H409-R411 VanDerWaalsContact C-N 3.35Å; R411-E413 VanDerWaalsContact C-N 3.33Å
412	G	91.6	Very high	93.4	Very high	32 Å²	32	42.2 Å²	42.2	33%	0.33	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	5.4	-174.8	0	0	0	0	0	114.3	R101 L410	R101-G412 PolarHBondContact NH2-O 2.99Å; L410-G412 PolarHBondContact O-N 3.04Å; L410-G412 VanDerWaalsContact O-N 3.07Å
413	E	95.6	Very high	93.6	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.042	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-5.8	174.6	-65	-63.4	146.6	0	0	113.1	R101 K105 Q377 V378 L410 R411 T480	R101-E413 IonicContact CZ-OE1 3.53Å; R101-E413 IonicContact NH2-OE1 3.66Å; R101-E413 PolarHBondContact NH2-OE1 2.95Å; R101-E413 IonicContact NH2-OE2 2.97Å; K105-E413 WeakPolarHBondContact CE-OE1 3.34Å; K105-E413 IonicContact NZ-OE1 3.78Å; K105-E413 PolarHBondContact NZ-OE1 2.85Å; K105-E413 IonicContact NZ-OE2 3.49Å; K105-E413 PolarHBondContact NZ-OE2 2.85Å; Q377-E413 HydrophobicContact CB-CB 4.07Å; Q377-E413 HydrophobicContact CG-CB 3.94Å; Q377-E413 HydrophobicContact CG-CG 4.19Å; Q377-E413 PolarHBondContact N-O 2.93Å; Q377-E413 PolarHBondContact N-OE2 2.91Å; V378-E413 PolarHBondContact N-O 3.26Å; L410-E413 HydrophobicContact CB-CB 4.37Å; L410-E413 HydrophobicContact CD2-CB 4.17Å; L410-E413 WeakPolarHBondContact O-CB 3.4Å; L410-E413 PolarHBondContact O-N 3.04Å; R411-E413 VanDerWaalsContact C-N 3.33Å; E413-T480 HydrophobicContact CG-CG2 4.05Å
414	V	96.3	Very high	93.7	Very high	10 Å²	10	46.5 Å²	46.5	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.8	178.5	-171	0	0	0	0	109.5	V378 V380 V400 L403 L410	V378-V414 HydrophobicContact CB-CG1 4.24Å; V378-V414 HydrophobicContact CB-CG2 4.18Å; V378-V414 HydrophobicContact CG1-CG1 4.34Å; V378-V414 CarbonylContact O-C 3.48Å; V378-V414 WeakPolarHBondContact O-CA 3.27Å; V380-V414 HydrophobicContact CG2-CG1 3.89Å; V400-V414 HydrophobicContact CG1-CG1 3.98Å; V400-V414 HydrophobicContact CG2-CG1 4.3Å; L403-V414 HydrophobicContact CB-CG2 4.22Å; L403-V414 HydrophobicContact CD1-CG1 4.33Å; L403-V414 HydrophobicContact CD1-CG2 4.44Å; L410-V414 HydrophobicContact CB-CG2 4.22Å
415	V	96	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	146.2	170.6	-60.2	0	0	0	0	110.4	L47 V49 L52 Y376 V378 C379 V380 Y436	L47-V415 HydrophobicContact CB-CG1 4.06Å; L47-V415 HydrophobicContact CD1-CG1 4.48Å; L47-V415 CarbonylContact O-C 3.56Å; L47-V415 WeakPolarHBondContact O-CA 3.4Å; V49-V415 HydrophobicContact CG2-CB 4.15Å; V49-V415 HydrophobicContact CG2-CG2 4.1Å; L52-V415 HydrophobicContact CD1-CG1 4.16Å; Y376-V415 HydrophobicContact CD1-CG1 3.64Å; Y376-V415 HydrophobicContact CD2-CG1 3.78Å; Y376-V415 HydrophobicContact CE1-CG1 4.03Å; Y376-V415 HydrophobicContact CE2-CG1 4.13Å; Y376-V415 HydrophobicContact CG-CG1 3.5Å; Y376-V415 VanDerWaalsContact CG-CG1 3.5Å; V378-V415 PolarHBondContact O-N 3.48Å; C379-V415 WeakPolarHBondContact CA-O 3.23Å; C379-V415 HydrophobicContact CB-CG2 3.76Å; V380-V415 PolarHBondContact N-O 3.29Å; V415-Y436 HydrophobicContact CG2-CD1 4.2Å; V415-Y436 HydrophobicContact CG2-CE1 3.58Å; V415-Y436 HydrophobicContact CG2-CE2 4.4Å
416	F	97.1	Very high	94.4	Very high	13 Å²	13	50 Å²	50	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.6	177	-176.1	-113.6	0	0	0	109.4	P46 L47 L48 V49 V380 P382 A396 E397 V400 D418	P46-F416 HydrophobicContact CB-CB 4.34Å; L47-F416 PolarHBondContact O-N 3.01Å; L48-F416 WeakPolarHBondContact CA-O 3.38Å; L48-F416 HydrophobicContact CD2-CB 4.23Å; L48-F416 HydrophobicContact CD2-CD1 3.76Å; L48-F416 HydrophobicContact CD2-CG 4.49Å; V49-F416 PolarHBondContact N-O 3.19Å; V380-F416 HydrophobicContact CB-CD2 4.22Å; V380-F416 HydrophobicContact CG1-CD2 4.16Å; V380-F416 HydrophobicContact CG1-CE2 4.41Å; P382-F416 HydrophobicContact CB-CE2 3.78Å; P382-F416 HydrophobicContact CB-CZ 3.68Å; P382-F416 HydrophobicContact CG-CD2 4.44Å; P382-F416 HydrophobicContact CG-CE1 4.11Å; P382-F416 HydrophobicContact CG-CE2 3.62Å; P382-F416 HydrophobicContact CG-CZ 3.43Å; P382-F416 VanDerWaalsContact CG-CZ 3.43Å; A396-F416 HydrophobicContact CB-CE2 3.89Å; E397-F416 HydrophobicContact CG-CE1 4.26Å; E397-F416 HydrophobicContact CG-CE2 4.42Å; E397-F416 HydrophobicContact CG-CZ 3.79Å; V400-F416 HydrophobicContact CG2-CB 4.12Å; V400-F416 HydrophobicContact CG2-CD2 3.65Å; V400-F416 HydrophobicContact CG2-CE2 4.45Å; V400-F416 HydrophobicContact CG2-CG 4.25Å; F416-D418 VanDerWaalsContact C-N 3.35Å; F416-D418 HydrophobicContact CD1-CB 3.88Å; F416-D418 HydrophobicContact CE1-CB 4.02Å; F416-D418 PolarHBondContact O-N 3.46Å
417	D	96.8	Very high	94.5	Very high	2 Å²	2	45 Å²	45	1%	0.011	24%	0.241	C	C	.	.			trans	-84.7	81.1	179.7	-164.6	-16.9	0	0	0	111.4	V49 V380 L381 P382 R419 R427	V49-D417 HydrophobicContact CB-CB 4.33Å; V49-D417 HydrophobicContact CG2-CB 3.91Å; V380-D417 PolarHBondContact O-N 3.43Å; L381-D417 HydrophobicContact CD2-CB 3.28Å; P382-D417 VanDerWaalsContact CD-O 3.31Å; P382-D417 WeakPolarHBondContact CD-O 3.43Å; P382-D417 WeakPolarHBondContact CG-O 3.39Å; D417-R419 PolarHBondContact O-N 3.13Å; D417-R419 VanDerWaalsContact O-N 3.13Å; D417-R419 WeakPolarHBondContact OD1-CB 3.34Å; D417-R419 WeakPolarHBondContact OD1-CG 3.27Å; D417-R419 IonicContact OD1-CZ 2.71Å; D417-R419 PolarHBondContact OD1-N 2.62Å; D417-R419 IonicContact OD1-NE 3.62Å; D417-R419 PolarHBondContact OD1-NE 2.94Å; D417-R419 IonicContact OD1-NH2 2.75Å; D417-R419 PolarHBondContact OD1-NH2 3.48Å; D417-R419 IonicContact OD2-CZ 2.77Å; D417-R419 IonicContact OD2-NE 3.4Å; D417-R419 IonicContact OD2-NH2 3.83Å; D417-R419 PolarHBondContact OD2-NH2 2.78Å; D417-R427 VanDerWaalsContact CG-CD 3.4Å; D417-R427 PolarHBondContact O-NH1 2.78Å; D417-R427 WeakPolarHBondContact OD1-CD 3.42Å; D417-R427 WeakPolarHBondContact OD2-CB 3.45Å; D417-R427 WeakPolarHBondContact OD2-CD 3.14Å; D417-R427 WeakPolarHBondContact OD2-CG 3.4Å
418	D	95.7	Very high	94.6	Very high	40 Å²	40	46.1 Å²	46.1	21%	0.214	25%	0.247	C	C	.	.			trans	-72.1	3.9	-178.1	66.9	-43.5	0	0	0	114.5	L48 V49 S50 F416 T420	L48-D418 HydrophobicContact CD2-CB 4.17Å; V49-D418 PolarHBondContact N-OD1 2.88Å; S50-D418 WeakPolarHBondContact CB-OD1 3.15Å; S50-D418 VanDerWaalsContact CB-OD2 3.31Å; S50-D418 WeakPolarHBondContact CB-OD2 3.22Å; S50-D418 PolarHBondContact N-OD1 3.18Å; S50-D418 PolarHBondContact OG-OD1 3.01Å; S50-D418 VanDerWaalsContact OG-OD1 3.08Å; S50-D418 PolarHBondContact OG-OD2 3.07Å; F416-D418 VanDerWaalsContact C-N 3.35Å; F416-D418 HydrophobicContact CD1-CB 3.88Å; F416-D418 HydrophobicContact CE1-CB 4.02Å; F416-D418 PolarHBondContact O-N 3.46Å; D418-T420 PolarHBondContact O-N 3.17Å
419	R	94.9	Very high	94.6	Very high	32 Å²	32	47.7 Å²	47.7	12%	0.121	25%	0.245	C	C	.	.			trans	-75.8	53.4	176.7	-55.5	173.9	-65	161.4	4.2	111.5	D417 Q421 M422 D430	D417-R419 PolarHBondContact O-N 3.13Å; D417-R419 VanDerWaalsContact O-N 3.13Å; D417-R419 WeakPolarHBondContact OD1-CB 3.34Å; D417-R419 WeakPolarHBondContact OD1-CG 3.27Å; D417-R419 IonicContact OD1-CZ 2.71Å; D417-R419 PolarHBondContact OD1-N 2.62Å; D417-R419 IonicContact OD1-NE 3.62Å; D417-R419 PolarHBondContact OD1-NE 2.94Å; D417-R419 IonicContact OD1-NH2 2.75Å; D417-R419 PolarHBondContact OD1-NH2 3.48Å; D417-R419 IonicContact OD2-CZ 2.77Å; D417-R419 IonicContact OD2-NE 3.4Å; D417-R419 IonicContact OD2-NH2 3.83Å; D417-R419 PolarHBondContact OD2-NH2 2.78Å; R419-Q421 PolarHBondContact O-N 3.17Å; R419-Q421 VanDerWaalsContact O-N 3.11Å; R419-Q421 PolarHBondContact O-OE1 3.41Å; R419-M422 HydrophobicContact CB-CG 4.42Å; R419-M422 HydrophobicContact CB-SD 3.76Å; R419-M422 HydrophobicContact CG-SD 4.47Å; R419-M422 WeakPolarHBondContact O-CB 3.22Å; R419-M422 PolarHBondContact O-N 3.31Å; R419-D430 IonicContact CZ-OD2 3.44Å; R419-D430 IonicContact NH1-OD2 3.58Å; R419-D430 PolarHBondContact NH1-OD2 3.22Å; R419-D430 IonicContact NH2-OD2 3.06Å; R419-D430 PolarHBondContact NH2-OD2 2.87Å
420	T	95.8	Very high	94.6	Very high	35 Å²	35	45.2 Å²	45.2	22%	0.215	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.8	-172.9	56.5	0	0	0	0	114.5	P382 K384 K385 D418 M422	P382-T420 HydrophobicContact CB-CG2 4.45Å; P382-T420 HydrophobicContact CG-CG2 3.78Å; K384-T420 WeakPolarHBondContact CA-O 3.5Å; K384-T420 WeakPolarHBondContact CG-O 3.36Å; K385-T420 PolarHBondContact N-O 2.81Å; D418-T420 PolarHBondContact O-N 3.17Å; T420-M422 PolarHBondContact O-N 2.79Å
421	Q	94.1	Very high	94.6	Very high	133 Å²	133	45.3 Å²	45.3	62%	0.621	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.8	166.6	74.3	-75.2	5.9	0	0	112.7	R419	R419-Q421 PolarHBondContact O-N 3.17Å; R419-Q421 VanDerWaalsContact O-N 3.11Å; R419-Q421 PolarHBondContact O-OE1 3.41Å
422	M	93.4	Very high	94.7	Very high	27 Å²	27	38 Å²	38	13%	0.133	21%	0.21	C	C	.	.	S	Bend	trans	-88.8	149.3	179.8	-62.6	169.3	64.5	0	0	111.8	R419 T420 K426 R427	R419-M422 HydrophobicContact CB-CG 4.42Å; R419-M422 HydrophobicContact CB-SD 3.76Å; R419-M422 HydrophobicContact CG-SD 4.47Å; R419-M422 WeakPolarHBondContact O-CB 3.22Å; R419-M422 PolarHBondContact O-N 3.31Å; T420-M422 PolarHBondContact O-N 2.79Å; M422-K426 HydrophobicContact CE-CB 4.21Å; M422-K426 HydrophobicContact CE-CD 3.45Å; M422-K426 VanDerWaalsContact CE-CD 3.45Å; M422-K426 HydrophobicContact CE-CG 3.53Å; M422-R427 HydrophobicContact CB-CG 3.97Å; M422-R427 HydrophobicContact CE-CG 4.44Å; M422-R427 PolarHBondContact O-NE 3.06Å
423	T	94.3	Very high	94.6	Very high	76 Å²	76	38.8 Å²	38.8	47%	0.466	20%	0.203	S	C	.	.			trans	-64.5	150.8	172.6	62.4	0	0	0	0	111	G425 K426 R427	T423-G425 VanDerWaalsContact C-N 3.26Å; T423-G425 PolarHBondContact O-N 2.87Å; T423-K426 PolarHBondContact O-N 2.86Å; T423-K426 VanDerWaalsContact O-N 3.13Å; T423-K426 WeakPolarHBondContact OG1-CB 3.23Å; T423-K426 PolarHBondContact OG1-N 3.46Å; T423-R427 PolarHBondContact O-N 3.3Å; T423-R427 VanDerWaalsContact O-N 3.12Å
424	I	95.3	Very high	94.5	Very high	44 Å²	44	38.8 Å²	38.8	23%	0.226	20%	0.203	C	C	.	.	H	α-helix	trans	-55.1	-44.6	174.8	-63.8	-69.2	0	0	0	110.5	L381 P382 K426 R427 L428 V441	L381-I424 HydrophobicContact CB-CD1 4.44Å; P382-I424 VanDerWaalsContact O-CD1 3.31Å; P382-I424 WeakPolarHBondContact O-CD1 3.47Å; I424-K426 VanDerWaalsContact C-N 3.33Å; I424-K426 PolarHBondContact O-N 3.22Å; I424-R427 VanDerWaalsContact CD1-NH2 3.27Å; I424-R427 PolarHBondContact O-N 3.29Å; I424-R427 VanDerWaalsContact O-N 3.12Å; I424-L428 HydrophobicContact CG2-CD1 3.82Å; I424-L428 HydrophobicContact CG2-CG 4.06Å; I424-L428 WeakPolarHBondContact O-CB 3.41Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 3.45Å; I424-V441 HydrophobicContact CD1-CG1 4.32Å; I424-V441 HydrophobicContact CG2-CG1 3.89Å
425	G	95.2	Very high	94.4	Very high	50 Å²	50	38.5 Å²	38.5	52%	0.515	20%	0.202	S	C	.	.	H	α-helix	trans	-58.4	-38.2	177.5	0	0	0	0	0	114.2	T423 K429	T423-G425 VanDerWaalsContact C-N 3.26Å; T423-G425 PolarHBondContact O-N 2.87Å; G425-K429 PolarHBondContact O-N 2.89Å; G425-K429 VanDerWaalsContact O-N 3.09Å
426	K	93.6	Very high	94.4	Very high	111 Å²	111	38.9 Å²	38.9	48%	0.483	20%	0.204	S	C	.	.	H	α-helix	trans	-68.9	-41.5	176	-167.6	176.4	178.5	-173.1	0	111.2	M422 T423 I424 K429 D430	M422-K426 HydrophobicContact CE-CB 4.21Å; M422-K426 HydrophobicContact CE-CD 3.45Å; M422-K426 VanDerWaalsContact CE-CD 3.45Å; M422-K426 HydrophobicContact CE-CG 3.53Å; T423-K426 PolarHBondContact O-N 2.86Å; T423-K426 VanDerWaalsContact O-N 3.13Å; T423-K426 WeakPolarHBondContact OG1-CB 3.23Å; T423-K426 PolarHBondContact OG1-N 3.46Å; I424-K426 VanDerWaalsContact C-N 3.33Å; I424-K426 PolarHBondContact O-N 3.22Å; K426-K429 PolarHBondContact O-N 2.89Å; K426-D430 PolarHBondContact O-N 2.94Å; K426-D430 VanDerWaalsContact O-N 3.08Å
427	R	95.2	Very high	94.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-40	176.6	-72.4	-171.1	-82.2	155.9	1.4	112.6	L381 P382 P383 D417 M422 T423 I424 K429 D430 A431	L381-R427 HydrophobicContact CD1-CB 3.99Å; L381-R427 HydrophobicContact CD2-CB 4.12Å; P382-R427 VanDerWaalsContact O-CZ 3.26Å; P382-R427 PolarHBondContact O-NH1 2.84Å; P382-R427 PolarHBondContact O-NH2 2.83Å; P383-R427 PolarHBondContact O-NH2 3.45Å; D417-R427 VanDerWaalsContact CG-CD 3.4Å; D417-R427 PolarHBondContact O-NH1 2.78Å; D417-R427 WeakPolarHBondContact OD1-CD 3.42Å; D417-R427 WeakPolarHBondContact OD2-CB 3.45Å; D417-R427 WeakPolarHBondContact OD2-CD 3.14Å; D417-R427 WeakPolarHBondContact OD2-CG 3.4Å; M422-R427 HydrophobicContact CB-CG 3.97Å; M422-R427 HydrophobicContact CE-CG 4.44Å; M422-R427 PolarHBondContact O-NE 3.06Å; T423-R427 PolarHBondContact O-N 3.3Å; T423-R427 VanDerWaalsContact O-N 3.12Å; I424-R427 VanDerWaalsContact CD1-NH2 3.27Å; I424-R427 PolarHBondContact O-N 3.29Å; I424-R427 VanDerWaalsContact O-N 3.12Å; R427-K429 VanDerWaalsContact C-N 3.34Å; R427-K429 PolarHBondContact O-N 2.97Å; R427-D430 PolarHBondContact O-N 3Å; R427-A431 WeakPolarHBondContact O-CB 3.27Å; R427-A431 PolarHBondContact O-N 2.84Å
428	L	95.4	Very high	94.5	Very high	42 Å²	42	41 Å²	41	22%	0.22	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-42.9	172	-77.6	174.9	0	0	0	112.3	L381 I424 A431 G432 V439 V441 I456	L381-L428 HydrophobicContact CD1-CD2 3.63Å; L381-L428 HydrophobicContact CD1-CG 3.8Å; I424-L428 HydrophobicContact CG2-CD1 3.82Å; I424-L428 HydrophobicContact CG2-CG 4.06Å; I424-L428 WeakPolarHBondContact O-CB 3.41Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 3.45Å; L428-A431 PolarHBondContact O-N 3.43Å; L428-G432 PolarHBondContact O-N 3.43Å; L428-V439 HydrophobicContact CD2-CG1 3.79Å; L428-V441 HydrophobicContact CD2-CG2 3.83Å; L428-V441 HydrophobicContact CG-CG2 4.5Å; L428-I456 HydrophobicContact CD1-CD1 4.35Å; L428-I456 HydrophobicContact CD2-CD1 3.5Å; L428-I456 VanDerWaalsContact CD2-CD1 3.5Å
429	K	93	Very high	94.6	Very high	118 Å²	118	39.1 Å²	39.1	51%	0.513	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-43.6	175.6	-176.6	171.5	-176.3	171	0	111.8	G425 K426 R427 R433	G425-K429 PolarHBondContact O-N 2.89Å; G425-K429 VanDerWaalsContact O-N 3.09Å; K426-K429 PolarHBondContact O-N 2.89Å; R427-K429 VanDerWaalsContact C-N 3.34Å; R427-K429 PolarHBondContact O-N 2.97Å; K429-R433 WeakPolarHBondContact O-CD 3.36Å; K429-R433 VanDerWaalsContact O-CG 3.26Å; K429-R433 WeakPolarHBondContact O-CG 3.47Å; K429-R433 PolarHBondContact O-N 3.28Å; K429-R433 VanDerWaalsContact O-N 3.11Å
430	D	92.2	Very high	94.8	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-39.9	176.3	-72.3	-3.9	0	0	0	111.3	R59 R419 K426 R427 R433 L434	R59-D430 IonicContact NH1-OD1 3.41Å; R59-D430 PolarHBondContact NH1-OD1 3.17Å; R419-D430 IonicContact CZ-OD2 3.44Å; R419-D430 IonicContact NH1-OD2 3.58Å; R419-D430 PolarHBondContact NH1-OD2 3.22Å; R419-D430 IonicContact NH2-OD2 3.06Å; R419-D430 PolarHBondContact NH2-OD2 2.87Å; K426-D430 PolarHBondContact O-N 2.94Å; K426-D430 VanDerWaalsContact O-N 3.08Å; R427-D430 PolarHBondContact O-N 3Å; D430-R433 WeakPolarHBondContact O-CB 3.41Å; D430-R433 PolarHBondContact O-N 2.97Å; D430-L434 PolarHBondContact O-N 3.23Å
431	A	94.1	Very high	94.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-43.8	176.6	0	0	0	0	0	112.5	R427 L428 R433 L434 G435 Y436 V439	R427-A431 WeakPolarHBondContact O-CB 3.27Å; R427-A431 PolarHBondContact O-N 2.84Å; L428-A431 PolarHBondContact O-N 3.43Å; A431-R433 VanDerWaalsContact C-N 3.32Å; A431-R433 PolarHBondContact O-N 2.95Å; A431-L434 PolarHBondContact O-N 3.22Å; A431-G435 PolarHBondContact O-N 3.5Å; A431-Y436 HydrophobicContact CB-CD2 3.82Å; A431-Y436 HydrophobicContact CB-CE2 4.34Å; A431-Y436 PolarHBondContact O-N 3.44Å; A431-V439 HydrophobicContact CB-CG1 4.3Å; A431-V439 HydrophobicContact CB-CG2 3.79Å
432	G	92.4	Very high	95	Very high	10 Å²	10	29.9 Å²	29.9	10%	0.103	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-32	175.3	0	0	0	0	0	113.5	G366 I367 L428 G435	G366-G432 WeakPolarHBondContact CA-O 3.48Å; I367-G432 PolarHBondContact N-O 2.73Å; L428-G432 PolarHBondContact O-N 3.43Å; G432-G435 PolarHBondContact O-N 3.42Å
433	R	91.2	Very high	95.1	Very high	49 Å²	49	29.6 Å²	29.6	19%	0.185	16%	0.164	C	C	.	.	H	α-helix	trans	-69.7	-39	174.9	-76.5	165.6	169.1	-130.2	-10.5	113	R59 E365 I367 K429 D430 A431 G435	R59-R433 VanDerWaalsContact NE-NH1 3.12Å; E365-R433 IonicContact OE2-NH2 2.8Å; I367-R433 WeakPolarHBondContact CB-O 3.42Å; I367-R433 WeakPolarHBondContact CD1-O 3.15Å; I367-R433 VanDerWaalsContact CG1-O 3.24Å; I367-R433 WeakPolarHBondContact CG1-O 3.48Å; K429-R433 WeakPolarHBondContact O-CD 3.36Å; K429-R433 VanDerWaalsContact O-CG 3.26Å; K429-R433 WeakPolarHBondContact O-CG 3.47Å; K429-R433 PolarHBondContact O-N 3.28Å; K429-R433 VanDerWaalsContact O-N 3.11Å; D430-R433 WeakPolarHBondContact O-CB 3.41Å; D430-R433 PolarHBondContact O-N 2.97Å; A431-R433 VanDerWaalsContact C-N 3.32Å; A431-R433 PolarHBondContact O-N 2.95Å; R433-G435 VanDerWaalsContact C-N 3.28Å
434	L	92.1	Very high	95	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-72.1	-26	174.8	-82.4	164.9	0	0	0	113.1	Q54 W369 D430 A431 Y436	Q54-L434 VanDerWaalsContact CD-CD2 3.41Å; Q54-L434 HydrophobicContact CG-CD2 4.49Å; Q54-L434 VanDerWaalsContact NE2-CD1 3.31Å; W369-L434 PolarHBondContact NE1-O 3.46Å; D430-L434 PolarHBondContact O-N 3.23Å; A431-L434 PolarHBondContact O-N 3.22Å; L434-Y436 HydrophobicContact CB-CD2 4.03Å; L434-Y436 HydrophobicContact CB-CE2 3.73Å; L434-Y436 HydrophobicContact CD1-CE2 3.52Å; L434-Y436 WeakPolarHBondContact CD1-OH 3.2Å; L434-Y436 HydrophobicContact CG-CE2 4.28Å
435	G	94.5	Very high	94.9	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	30.7	176.7	0	0	0	0	0	113.8	I367 A431 G432 R433 P437	I367-G435 WeakPolarHBondContact O-CA 3.34Å; A431-G435 PolarHBondContact O-N 3.5Å; G432-G435 PolarHBondContact O-N 3.42Å; R433-G435 VanDerWaalsContact C-N 3.28Å; G435-P437 VanDerWaalsContact O-CD 3.29Å; G435-P437 WeakPolarHBondContact O-CD 3.15Å; G435-P437 VanDerWaalsContact O-N 3.17Å
436	Y	96.5	Very high	94.9	Very high	9 Å²	9	28 Å²	28	4%	0.035	14%	0.14	C	C	.	.			trans	-55.1	120.7	171.1	-61	-67.3	0	0	0	109.5	Y376 C379 V415 A431 L434 Y438 Q458	Y376-Y436 AromaticContact CD2-CE1 3.91Å; Y376-Y436 HydrophobicContact CD2-CE1 3.91Å; Y376-Y436 HydrophobicContact CG-CE1 4.3Å; C379-Y436 HydrophobicContact CB-CD1 4.22Å; C379-Y436 HydrophobicContact CB-CD2 3.56Å; C379-Y436 HydrophobicContact CB-CE2 4Å; C379-Y436 HydrophobicContact CB-CG 3.68Å; V415-Y436 HydrophobicContact CG2-CD1 4.2Å; V415-Y436 HydrophobicContact CG2-CE1 3.58Å; V415-Y436 HydrophobicContact CG2-CE2 4.4Å; A431-Y436 HydrophobicContact CB-CD2 3.82Å; A431-Y436 HydrophobicContact CB-CE2 4.34Å; A431-Y436 PolarHBondContact O-N 3.44Å; L434-Y436 HydrophobicContact CB-CD2 4.03Å; L434-Y436 HydrophobicContact CB-CE2 3.73Å; L434-Y436 HydrophobicContact CD1-CE2 3.52Å; L434-Y436 WeakPolarHBondContact CD1-OH 3.2Å; L434-Y436 HydrophobicContact CG-CE2 4.28Å; Y436-Y438 PolarHBondContact O-N 3.42Å; Y436-Q458 WeakPolarHBondContact O-CB 3.44Å; Y436-Q458 WeakPolarHBondContact O-CG 3.14Å
437	P	97.3	Very high	94.9	Very high	19 Å²	19	25.3 Å²	25.3	12%	0.123	13%	0.13	C	C	.	.	S	Bend	trans	-53.6	-41	-176.6	-31	37.4	0	0	0	113.5	A374 Y376 Q377 G435 Q458	A374-P437 HydrophobicContact CB-CG 3.55Å; Y376-P437 WeakPolarHBondContact O-CD 3.26Å; Q377-P437 WeakPolarHBondContact O-CD 3.32Å; G435-P437 VanDerWaalsContact O-CD 3.29Å; G435-P437 WeakPolarHBondContact O-CD 3.15Å; G435-P437 VanDerWaalsContact O-N 3.17Å; P437-Q458 PolarHBondContact O-N 3.01Å
438	Y	98.1	Very high	94.8	Very high	41 Å²	41	29.8 Å²	29.8	16%	0.161	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.7	176.5	-59.3	-84.9	0	0	0	111.5	Q377 V378 C379 Y436 V455 I456 C457 L474 L475 V478	Q377-Y438 PolarHBondContact O-N 3.07Å; V378-Y438 CarbonylContact C-O 3.51Å; V378-Y438 WeakPolarHBondContact CA-O 3.48Å; C379-Y438 PolarHBondContact N-O 2.69Å; Y436-Y438 PolarHBondContact O-N 3.42Å; Y438-V455 HydrophobicContact CD1-CG1 4.4Å; Y438-I456 WeakPolarHBondContact CA-O 3.36Å; Y438-C457 HydrophobicContact CD1-CB 4.37Å; Y438-C457 HydrophobicContact CE1-CB 4.18Å; Y438-L474 HydrophobicContact CD1-CD2 4.44Å; Y438-L474 HydrophobicContact CE1-CD2 4.24Å; Y438-L474 HydrophobicContact CE1-CG 4.46Å; Y438-L475 HydrophobicContact CD1-CD2 4.33Å; Y438-L475 HydrophobicContact CD2-CD2 3.93Å; Y438-L475 HydrophobicContact CE2-CD2 4.42Å; Y438-L475 HydrophobicContact CG-CD2 3.88Å; Y438-V478 HydrophobicContact CD2-CG2 4.14Å; Y438-V478 HydrophobicContact CE2-CG2 3.47Å; Y438-V478 VanDerWaalsContact CE2-CG2 3.47Å
439	V	98.3	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.1	170.4	-171.5	0	0	0	0	108.7	C379 L381 L428 A431 V455 I456 Q458	C379-V439 CarbonylContact O-C 3.58Å; C379-V439 WeakPolarHBondContact O-CA 3.29Å; L381-V439 HydrophobicContact CD1-CG1 3.84Å; L381-V439 HydrophobicContact CG-CG1 3.82Å; L428-V439 HydrophobicContact CD2-CG1 3.79Å; A431-V439 HydrophobicContact CB-CG1 4.3Å; A431-V439 HydrophobicContact CB-CG2 3.79Å; V439-V455 WeakPolarHBondContact O-CA 3Å; V439-I456 HydrophobicContact CB-CB 4.39Å; V439-I456 PolarHBondContact N-O 3.16Å; V439-I456 PolarHBondContact O-N 3.44Å; V439-Q458 HydrophobicContact CG2-CG 4.24Å
440	V	98.4	Very high	94.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.6	-179	-175	0	0	0	0	108.8	V378 C379 V380 L381 L399 F453 E454 V455 L471	V378-V440 HydrophobicContact CG1-CG2 3.9Å; C379-V440 PolarHBondContact O-N 2.97Å; V380-V440 CarbonylContact C-O 3.52Å; V380-V440 WeakPolarHBondContact CA-O 3.48Å; V380-V440 HydrophobicContact CG2-CB 4.39Å; L381-V440 PolarHBondContact N-O 3.49Å; L399-V440 HydrophobicContact CD2-CG1 3.86Å; V440-F453 HydrophobicContact CG1-CB 3.8Å; V440-F453 HydrophobicContact CG1-CG 4.42Å; V440-E454 CarbonylContact C-O 3.44Å; V440-E454 WeakPolarHBondContact CA-O 3.44Å; V440-V455 HydrophobicContact CG1-CG2 4.47Å; V440-V455 HydrophobicContact CG2-CG1 4.43Å; V440-V455 HydrophobicContact CG2-CG2 4.42Å; V440-L471 HydrophobicContact CG1-CD2 4.17Å; V440-L471 HydrophobicContact CG2-CD1 4.06Å
441	V	98.1	Very high	94.8	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.8	178.5	-174	0	0	0	0	109.3	L381 I424 L428 E454 I456	L381-V441 HydrophobicContact CB-CG2 4.43Å; L381-V441 HydrophobicContact CD1-CG2 4.2Å; I424-V441 HydrophobicContact CD1-CG1 4.32Å; I424-V441 HydrophobicContact CG2-CG1 3.89Å; L428-V441 HydrophobicContact CD2-CG2 3.83Å; L428-V441 HydrophobicContact CG-CG2 4.5Å; V441-E454 HydrophobicContact CB-CB 4.11Å; V441-E454 HydrophobicContact CB-CG 4.45Å; V441-E454 PolarHBondContact N-O 3.35Å; V441-E454 PolarHBondContact O-N 3.08Å; V441-I456 HydrophobicContact CG2-CD1 4.36Å
442	V	97.4	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.			trans	-96.7	105.3	173.5	-171.6	0	0	0	0	107.8	V380 L381 P383 A392 A396 L399 A446 F453	V380-V442 HydrophobicContact CG1-CG2 4.15Å; L381-V442 PolarHBondContact O-N 3.44Å; P383-V442 VanDerWaalsContact CD-O 3.3Å; P383-V442 WeakPolarHBondContact CD-O 3.45Å; P383-V442 WeakPolarHBondContact CG-O 3.48Å; A392-V442 HydrophobicContact CB-CG1 4.13Å; A396-V442 HydrophobicContact CB-CB 3.87Å; A396-V442 HydrophobicContact CB-CG1 4.09Å; A396-V442 HydrophobicContact CB-CG2 3.63Å; L399-V442 HydrophobicContact CD2-CG2 4.16Å; V442-A446 HydrophobicContact CG1-CB 3.72Å; V442-F453 HydrophobicContact CG1-CD1 4.39Å; V442-F453 HydrophobicContact CG1-CE1 4.26Å; V442-F453 HydrophobicContact CG2-CD1 3.99Å; V442-F453 HydrophobicContact CG2-CE1 4.28Å
443	G	93.8	Very high	95.2	Very high	21 Å²	21	42.3 Å²	42.3	22%	0.216	21%	0.212	C	C	.	.			trans	-130.9	-153.1	-173.6	0	0	0	0	0	112.8	A445 A446	G443-A445 VanDerWaalsContact C-N 3.27Å; G443-A445 PolarHBondContact O-N 3.27Å; G443-A446 VanDerWaalsContact O-CB 3.27Å; G443-A446 WeakPolarHBondContact O-CB 3.43Å; G443-A446 PolarHBondContact O-N 3.25Å; G443-A446 VanDerWaalsContact O-N 3.08Å
444	Q	93.8	Very high	95.5	Very high	120 Å²	120	42.7 Å²	42.7	56%	0.561	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-57.6	-37.8	-177.3	-175.6	65.3	51.2	0	0	113.1	V389 A446 L447	V389-Q444 HydrophobicContact CG1-CB 4.03Å; Q444-A446 PolarHBondContact O-N 3.13Å; Q444-A446 VanDerWaalsContact O-N 3.15Å; Q444-L447 WeakPolarHBondContact O-CB 3.41Å; Q444-L447 PolarHBondContact O-N 3.31Å
445	A	93.3	Very high	95.8	Very high	16 Å²	16	42.2 Å²	42.2	13%	0.132	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-64.2	-18.3	-179.1	0	0	0	0	0	113.3	G443 L447 E448 K452 F465	G443-A445 VanDerWaalsContact C-N 3.27Å; G443-A445 PolarHBondContact O-N 3.27Å; A445-L447 PolarHBondContact O-N 3.18Å; A445-E448 PolarHBondContact O-N 3.38Å; A445-K452 CarbonylContact C-O 3.24Å; A445-K452 VanDerWaalsContact C-O 3.24Å; A445-K452 HydrophobicContact CB-CB 4.2Å; A445-K452 PolarHBondContact O-N 3.46Å; A445-F465 HydrophobicContact CB-CD1 4.36Å
446	A	94.1	Very high	95.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-73.4	-18.5	174.7	0	0	0	0	0	112.2	A392 M395 V442 G443 Q444 P451 K452 F453	A392-A446 HydrophobicContact CB-CB 4.5Å; M395-A446 WeakPolarHBondContact CE-O 3.48Å; M395-A446 HydrophobicContact SD-CB 3.79Å; V442-A446 HydrophobicContact CG1-CB 3.72Å; G443-A446 VanDerWaalsContact O-CB 3.27Å; G443-A446 WeakPolarHBondContact O-CB 3.43Å; G443-A446 PolarHBondContact O-N 3.25Å; G443-A446 VanDerWaalsContact O-N 3.08Å; Q444-A446 PolarHBondContact O-N 3.13Å; Q444-A446 VanDerWaalsContact O-N 3.15Å; A446-P451 WeakPolarHBondContact O-CB 3.45Å; A446-K452 WeakPolarHBondContact CA-O 3.29Å; A446-K452 PolarHBondContact N-O 3.42Å; A446-K452 VanDerWaalsContact N-O 3.16Å; A446-F453 HydrophobicContact CB-CE1 4.28Å
447	L	93.6	Very high	95.9	Very high	53 Å²	53	43.2 Å²	43.2	28%	0.277	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-97.8	3.1	179.7	-59	170.9	0	0	0	112.9	V389 E391 A392 Q444 A445	V389-L447 HydrophobicContact CB-CD1 4.25Å; V389-L447 HydrophobicContact CG1-CD1 4.09Å; E391-L447 HydrophobicContact CG-CD1 3.82Å; E391-L447 HydrophobicContact CG-CD2 3.88Å; E391-L447 WeakPolarHBondContact OE1-CD1 2.74Å; A392-L447 HydrophobicContact CB-CD1 4.31Å; A392-L447 HydrophobicContact CB-CD2 3.87Å; A392-L447 HydrophobicContact CB-CG 4.02Å; Q444-L447 WeakPolarHBondContact O-CB 3.41Å; Q444-L447 PolarHBondContact O-N 3.31Å; A445-L447 PolarHBondContact O-N 3.18Å
448	E	93.8	Very high	95.6	Very high	94 Å²	94	43.4 Å²	43.4	44%	0.439	22%	0.219	S	C	.	.	S	Bend	trans	-67.9	162	170.9	-68.9	176.2	-161.2	0	0	110.8	A445 I450 K452	A445-E448 PolarHBondContact O-N 3.38Å; E448-I450 PolarHBondContact O-N 3.35Å; E448-I450 VanDerWaalsContact O-N 3.15Å; E448-K452 IonicContact OE2-NZ 3.78Å; E448-K452 PolarHBondContact OE2-NZ 3.38Å
449	E	92.3	Very high	95.1	Very high	201 Å²	201	46.3 Å²	46.3	94%	0.939	23%	0.234	S	C	*	.	S	Bend	trans	-53	-36.6	177.1	-174.1	-178.5	-173.5	0	0	112.2
450	I	92.6	Very high	94.7	Very high	113 Å²	113	50.8 Å²	50.8	58%	0.579	26%	0.262	S	S	*	.	S	Bend	trans	-111.2	102.6	168.6	-57.6	175.3	0	0	0	107.4	E448 K452	E448-I450 PolarHBondContact O-N 3.35Å; E448-I450 VanDerWaalsContact O-N 3.15Å; I450-K452 PolarHBondContact O-N 3.49Å
451	P	94.5	Very high	94.3	Very high	51 Å²	51	53.4 Å²	53.4	33%	0.331	29%	0.288	S	S	.	.			trans	-57.5	129.6	-178.3	-28.8	36.2	0	0	0	112.5	M395 A446	M395-P451 HydrophobicContact SD-CB 4.06Å; A446-P451 WeakPolarHBondContact O-CB 3.45Å
452	K	97.1	Very high	94.1	Very high	76 Å²	76	58.3 Å²	58.3	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.8	173.3	-66	168.9	-166.3	149.3	0	111.3	A445 A446 E448 I450 L466	A445-K452 CarbonylContact C-O 3.24Å; A445-K452 VanDerWaalsContact C-O 3.24Å; A445-K452 HydrophobicContact CB-CB 4.2Å; A445-K452 PolarHBondContact O-N 3.46Å; A446-K452 WeakPolarHBondContact CA-O 3.29Å; A446-K452 PolarHBondContact N-O 3.42Å; A446-K452 VanDerWaalsContact N-O 3.16Å; E448-K452 IonicContact OE2-NZ 3.78Å; E448-K452 PolarHBondContact OE2-NZ 3.38Å; I450-K452 PolarHBondContact O-N 3.49Å; K452-L466 CarbonylContact C-O 3.49Å; K452-L466 VanDerWaalsContact CA-O 3.27Å; K452-L466 WeakPolarHBondContact CA-O 3.39Å
453	F	97.8	Very high	94.1	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.2	178.1	-52.5	-76.4	0	0	0	109.5	M395 L399 V440 V442 A446 V455 F465 L466 K468 L471	M395-F453 HydrophobicContact CG-CE1 4.21Å; M395-F453 HydrophobicContact CG-CZ 4.29Å; M395-F453 HydrophobicContact SD-CE1 3.95Å; M395-F453 HydrophobicContact SD-CZ 3.98Å; L399-F453 HydrophobicContact CD1-CZ 4.5Å; L399-F453 HydrophobicContact CD2-CD1 3.87Å; L399-F453 HydrophobicContact CD2-CE1 3.92Å; L399-F453 HydrophobicContact CD2-CG 4.22Å; L399-F453 HydrophobicContact CD2-CZ 4.33Å; V440-F453 HydrophobicContact CG1-CB 3.8Å; V440-F453 HydrophobicContact CG1-CG 4.42Å; V442-F453 HydrophobicContact CG1-CD1 4.39Å; V442-F453 HydrophobicContact CG1-CE1 4.26Å; V442-F453 HydrophobicContact CG2-CD1 3.99Å; V442-F453 HydrophobicContact CG2-CE1 4.28Å; A446-F453 HydrophobicContact CB-CE1 4.28Å; F453-V455 PolarHBondContact O-N 3.05Å; F453-F465 WeakPolarHBondContact O-CA 3.31Å; F453-L466 PolarHBondContact N-O 2.81Å; F453-L466 PolarHBondContact O-N 2.81Å; F453-K468 HydrophobicContact CE2-CB 4.25Å; F453-L471 HydrophobicContact CB-CD2 4.49Å; F453-L471 HydrophobicContact CD2-CD2 4.08Å; F453-L471 HydrophobicContact CG-CD2 4.39Å
454	E	98.1	Very high	94.3	Very high	57 Å²	57	62.5 Å²	62.5	27%	0.266	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.3	171.5	174.2	-172.3	178	0	0	108.2	V440 V441 I456 T463 M464 F465	V440-E454 CarbonylContact C-O 3.44Å; V440-E454 WeakPolarHBondContact CA-O 3.44Å; V441-E454 HydrophobicContact CB-CB 4.11Å; V441-E454 HydrophobicContact CB-CG 4.45Å; V441-E454 PolarHBondContact N-O 3.35Å; V441-E454 PolarHBondContact O-N 3.08Å; E454-I456 HydrophobicContact CG-CG1 4.41Å; E454-T463 HydrophobicContact CG-CG2 3.71Å; E454-M464 CarbonylContact C-O 3.58Å; E454-M464 WeakPolarHBondContact CA-O 3.17Å; E454-F465 HydrophobicContact CB-CD1 4.17Å; E454-F465 HydrophobicContact CB-CE1 3.78Å; E454-F465 HydrophobicContact CB-CZ 4.25Å; E454-F465 HydrophobicContact CG-CE1 4.23Å; E454-F465 HydrophobicContact CG-CZ 4.18Å
455	V	98.3	Very high	94.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.9	-176.5	-173.3	0	0	0	0	108.7	Y438 V439 V440 F453 T463 M464 L466 L471 L474	Y438-V455 HydrophobicContact CD1-CG1 4.4Å; V439-V455 WeakPolarHBondContact O-CA 3Å; V440-V455 HydrophobicContact CG1-CG2 4.47Å; V440-V455 HydrophobicContact CG2-CG1 4.43Å; V440-V455 HydrophobicContact CG2-CG2 4.42Å; F453-V455 PolarHBondContact O-N 3.05Å; V455-T463 WeakPolarHBondContact O-CA 3.38Å; V455-M464 HydrophobicContact CG1-CE 4.3Å; V455-M464 PolarHBondContact N-O 3.32Å; V455-M464 PolarHBondContact O-N 2.96Å; V455-L466 HydrophobicContact CB-CD1 4.43Å; V455-L466 HydrophobicContact CG2-CB 4.34Å; V455-L466 HydrophobicContact CG2-CD1 4.05Å; V455-L466 HydrophobicContact CG2-CG 4.24Å; V455-L471 HydrophobicContact CG1-CD1 4.44Å; V455-L471 HydrophobicContact CG2-CD1 3.77Å; V455-L474 HydrophobicContact CG1-CD2 3.94Å
456	I	97.7	Very high	94.7	Very high	21 Å²	21	63.6 Å²	63.6	11%	0.108	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.1	-179.8	-57.8	164	0	0	0	108	L428 Y438 V439 V441 E454 Q458 E462 T463	L428-I456 HydrophobicContact CD1-CD1 4.35Å; L428-I456 HydrophobicContact CD2-CD1 3.5Å; L428-I456 VanDerWaalsContact CD2-CD1 3.5Å; Y438-I456 WeakPolarHBondContact CA-O 3.36Å; V439-I456 HydrophobicContact CB-CB 4.39Å; V439-I456 PolarHBondContact N-O 3.16Å; V439-I456 PolarHBondContact O-N 3.44Å; V441-I456 HydrophobicContact CG2-CD1 4.36Å; E454-I456 HydrophobicContact CG-CG1 4.41Å; I456-Q458 PolarHBondContact O-N 2.85Å; I456-E462 WeakPolarHBondContact CA-O 3.11Å; I456-T463 HydrophobicContact CG1-CG2 4.16Å
457	C	95.9	Very high	94.8	Very high	12 Å²	12	65.7 Å²	65.7	8%	0.081	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.2	169.3	179.7	0	0	0	0	108.5	Y438 Q459 T460 G461 E462	Y438-C457 HydrophobicContact CD1-CB 4.37Å; Y438-C457 HydrophobicContact CE1-CB 4.18Å; C457-Q459 VanDerWaalsContact C-N 3.26Å; C457-Q459 PolarHBondContact O-N 2.86Å; C457-T460 WeakPolarHBondContact CB-OG1 3.44Å; C457-T460 PolarHBondContact O-N 2.81Å; C457-T460 PolarHBondContact SG-OG1 3.47Å; C457-T460 VanDerWaalsContact SG-OG1 3.4Å; C457-G461 VanDerWaalsContact O-CA 3.31Å; C457-G461 WeakPolarHBondContact O-CA 3.49Å; C457-G461 PolarHBondContact O-N 3.01Å; C457-E462 PolarHBondContact N-O 3.27Å
458	Q	91.4	Very high	94.9	Very high	23 Å²	23	67 Å²	67	11%	0.107	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.3	-178.4	-74.3	-66.6	-16	0	0	111.3	R368 Y436 P437 V439 I456 T460	R368-Q458 VanDerWaalsContact CZ-OE1 3.31Å; R368-Q458 PolarHBondContact NE-O 3Å; R368-Q458 PolarHBondContact NH2-O 3.48Å; Y436-Q458 WeakPolarHBondContact O-CB 3.44Å; Y436-Q458 WeakPolarHBondContact O-CG 3.14Å; P437-Q458 PolarHBondContact O-N 3.01Å; V439-Q458 HydrophobicContact CG2-CG 4.24Å; I456-Q458 PolarHBondContact O-N 2.85Å; Q458-T460 PolarHBondContact O-N 2.86Å
459	Q	87.2	Confident	94.9	Very high	102 Å²	102	67.8 Å²	67.8	48%	0.477	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-40.8	-177.8	-168.1	63.7	14.1	0	0	113	C457	C457-Q459 VanDerWaalsContact C-N 3.26Å; C457-Q459 PolarHBondContact O-N 2.86Å
460	T	89.7	Confident	95.1	Very high	94 Å²	94	59.3 Å²	59.3	58%	0.577	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-20.8	-179.3	61.9	0	0	0	0	113.3	C457 Q458 E462	C457-T460 WeakPolarHBondContact CB-OG1 3.44Å; C457-T460 PolarHBondContact O-N 2.81Å; C457-T460 PolarHBondContact SG-OG1 3.47Å; C457-T460 VanDerWaalsContact SG-OG1 3.4Å; Q458-T460 PolarHBondContact O-N 2.86Å; T460-E462 PolarHBondContact O-N 3.29Å; T460-E462 VanDerWaalsContact OG1-CB 3.26Å; T460-E462 WeakPolarHBondContact OG1-CB 3.49Å; T460-E462 PolarHBondContact OG1-N 2.81Å
461	G	89.3	Confident	95.3	Very high	54 Å²	54	54 Å²	54	56%	0.557	30%	0.296	S	S	*	.			trans	76.1	4.4	-169.2	0	0	0	0	0	113.7	C457	C457-G461 VanDerWaalsContact O-CA 3.31Å; C457-G461 WeakPolarHBondContact O-CA 3.49Å; C457-G461 PolarHBondContact O-N 3.01Å
462	E	95.1	Very high	95.4	Very high	110 Å²	110	52.9 Å²	52.9	51%	0.514	29%	0.287	S	S	.	.			trans	-73.2	140.1	-179.9	-171.9	175.5	-169.8	0	0	111.4	I456 C457 T460 M464	I456-E462 WeakPolarHBondContact CA-O 3.11Å; C457-E462 PolarHBondContact N-O 3.27Å; T460-E462 PolarHBondContact O-N 3.29Å; T460-E462 VanDerWaalsContact OG1-CB 3.26Å; T460-E462 WeakPolarHBondContact OG1-CB 3.49Å; T460-E462 PolarHBondContact OG1-N 2.81Å; E462-M464 HydrophobicContact CG-CG 4.16Å
463	T	97.4	Very high	95.4	Very high	71 Å²	71	55 Å²	55	44%	0.436	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.3	174.2	-56.5	0	0	0	0	109	E454 V455 I456 F465	E454-T463 HydrophobicContact CG-CG2 3.71Å; V455-T463 WeakPolarHBondContact O-CA 3.38Å; I456-T463 HydrophobicContact CG1-CG2 4.16Å; T463-F465 HydrophobicContact CG2-CE2 4.43Å
464	M	97.5	Very high	95.4	Very high	38 Å²	38	56.7 Å²	56.7	19%	0.187	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151	-178.6	-61.7	171.2	-76.7	0	0	110	E454 V455 E462 L466 L474	E454-M464 CarbonylContact C-O 3.58Å; E454-M464 WeakPolarHBondContact CA-O 3.17Å; V455-M464 HydrophobicContact CG1-CE 4.3Å; V455-M464 PolarHBondContact N-O 3.32Å; V455-M464 PolarHBondContact O-N 2.96Å; E462-M464 HydrophobicContact CG-CG 4.16Å; M464-L466 HydrophobicContact CB-CD1 4.39Å; M464-L466 HydrophobicContact CB-CD2 4.07Å; M464-L466 HydrophobicContact CB-CG 3.97Å; M464-L466 HydrophobicContact SD-CD1 4.47Å; M464-L474 HydrophobicContact CE-CD2 3.54Å
465	F	97.8	Very high	95.3	Very high	122 Å²	122	54 Å²	54	54%	0.535	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	104.4	169.6	-71.6	-93.7	0	0	0	108.5	A445 F453 E454 T463	A445-F465 HydrophobicContact CB-CD1 4.36Å; F453-F465 WeakPolarHBondContact O-CA 3.31Å; E454-F465 HydrophobicContact CB-CD1 4.17Å; E454-F465 HydrophobicContact CB-CE1 3.78Å; E454-F465 HydrophobicContact CB-CZ 4.25Å; E454-F465 HydrophobicContact CG-CE1 4.23Å; E454-F465 HydrophobicContact CG-CZ 4.18Å; T463-F465 HydrophobicContact CG2-CE2 4.43Å
466	L	97.8	Very high	95.2	Very high	36 Å²	36	55.7 Å²	55.7	19%	0.188	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142	-170.7	-58.9	-177.9	0	0	0	111.2	K452 F453 V455 M464 L471 L474	K452-L466 CarbonylContact C-O 3.49Å; K452-L466 VanDerWaalsContact CA-O 3.27Å; K452-L466 WeakPolarHBondContact CA-O 3.39Å; F453-L466 PolarHBondContact N-O 2.81Å; F453-L466 PolarHBondContact O-N 2.81Å; V455-L466 HydrophobicContact CB-CD1 4.43Å; V455-L466 HydrophobicContact CG2-CB 4.34Å; V455-L466 HydrophobicContact CG2-CD1 4.05Å; V455-L466 HydrophobicContact CG2-CG 4.24Å; M464-L466 HydrophobicContact CB-CD1 4.39Å; M464-L466 HydrophobicContact CB-CD2 4.07Å; M464-L466 HydrophobicContact CB-CG 3.97Å; M464-L466 HydrophobicContact SD-CD1 4.47Å; L466-L471 HydrophobicContact CB-CB 4.36Å; L466-L474 HydrophobicContact CD1-CB 4.21Å; L466-L474 HydrophobicContact CD1-CD2 3.73Å
467	S	96.6	Very high	95	Very high	46 Å²	46	59.6 Å²	59.6	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	170.8	163.5	65.9	0	0	0	0	110.3	D469 G470 L471	S467-D469 VanDerWaalsContact C-N 3.29Å; S467-D469 PolarHBondContact O-N 3.39Å; S467-G470 PolarHBondContact O-N 3.39Å; S467-G470 PolarHBondContact OG-N 3.48Å; S467-L471 WeakPolarHBondContact O-CB 3.39Å; S467-L471 PolarHBondContact O-N 2.74Å
468	K	94.5	Very high	94.9	Very high	79 Å²	79	59.6 Å²	59.6	34%	0.343	34%	0.341	S	S	.	.	H	α-helix	trans	-54.2	-45.9	173.9	-175.2	177.5	178.4	176.6	0	112.1	N402 F453 L471 L472	N402-K468 PolarHBondContact ND2-NZ 3.2Å; F453-K468 HydrophobicContact CE2-CB 4.25Å; K468-L471 PolarHBondContact O-N 2.88Å; K468-L472 HydrophobicContact CG-CD1 4.33Å; K468-L472 WeakPolarHBondContact O-CG 3.28Å; K468-L472 PolarHBondContact O-N 2.96Å
469	D	95.1	Very high	95	Very high	112 Å²	112	64.9 Å²	64.9	60%	0.599	37%	0.366	S	S	*	.	H	α-helix	trans	-67	-44.3	-179.2	-60.7	-27.1	0	0	0	111.3	S467 L471 L472 D473	S467-D469 VanDerWaalsContact C-N 3.29Å; S467-D469 PolarHBondContact O-N 3.39Å; D469-L471 VanDerWaalsContact C-N 3.28Å; D469-L471 PolarHBondContact O-N 2.79Å; D469-L472 WeakPolarHBondContact O-CB 3.46Å; D469-L472 PolarHBondContact O-N 3.12Å; D469-L472 VanDerWaalsContact O-N 3.1Å; D469-D473 PolarHBondContact O-N 2.84Å
470	G	97.1	Very high	95.3	Very high	22 Å²	22	62 Å²	62	23%	0.227	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-34.7	176.3	0	0	0	0	0	113.2	S467 L474	S467-G470 PolarHBondContact O-N 3.39Å; S467-G470 PolarHBondContact OG-N 3.48Å; G470-L474 WeakPolarHBondContact O-CB 3.2Å; G470-L474 PolarHBondContact O-N 3.49Å
471	L	96.7	Very high	95.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-41.6	173.2	175.9	61.6	0	0	0	111.7	L399 L403 V440 F453 V455 L466 S467 K468 D469 L475	L399-L471 HydrophobicContact CD1-CD2 3.74Å; L399-L471 HydrophobicContact CD2-CD2 4.03Å; L399-L471 HydrophobicContact CG-CD2 4.42Å; L403-L471 HydrophobicContact CD2-CD2 4.46Å; L403-L471 HydrophobicContact CD2-CG 4.41Å; V440-L471 HydrophobicContact CG1-CD2 4.17Å; V440-L471 HydrophobicContact CG2-CD1 4.06Å; F453-L471 HydrophobicContact CB-CD2 4.49Å; F453-L471 HydrophobicContact CD2-CD2 4.08Å; F453-L471 HydrophobicContact CG-CD2 4.39Å; V455-L471 HydrophobicContact CG1-CD1 4.44Å; V455-L471 HydrophobicContact CG2-CD1 3.77Å; L466-L471 HydrophobicContact CB-CB 4.36Å; S467-L471 WeakPolarHBondContact O-CB 3.39Å; S467-L471 PolarHBondContact O-N 2.74Å; K468-L471 PolarHBondContact O-N 2.88Å; D469-L471 VanDerWaalsContact C-N 3.28Å; D469-L471 PolarHBondContact O-N 2.79Å; L471-L475 HydrophobicContact CD1-CD1 3.53Å; L471-L475 HydrophobicContact CD1-CG 3.86Å; L471-L475 HydrophobicContact CG-CD1 4.02Å; L471-L475 WeakPolarHBondContact O-CB 3.45Å; L471-L475 WeakPolarHBondContact O-CG 3.39Å; L471-L475 PolarHBondContact O-N 3.32Å
472	L	96.4	Very high	95.6	Very high	28 Å²	28	60 Å²	60	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-40.7	176.1	-71.3	172.6	0	0	0	111.8	L403 F406 L407 K468 D469 G476	L403-L472 HydrophobicContact CD2-CD2 3.91Å; F406-L472 HydrophobicContact CB-CD1 4.49Å; F406-L472 HydrophobicContact CB-CD2 3.95Å; L407-L472 HydrophobicContact CD1-CD2 3.99Å; L407-L472 HydrophobicContact CG-CD2 4.02Å; K468-L472 HydrophobicContact CG-CD1 4.33Å; K468-L472 WeakPolarHBondContact O-CG 3.28Å; K468-L472 PolarHBondContact O-N 2.96Å; D469-L472 WeakPolarHBondContact O-CB 3.46Å; D469-L472 PolarHBondContact O-N 3.12Å; D469-L472 VanDerWaalsContact O-N 3.1Å; L472-G476 WeakPolarHBondContact O-CA 3.31Å; L472-G476 PolarHBondContact O-N 2.68Å
473	D	96.8	Very high	95.6	Very high	122 Å²	122	57.4 Å²	57.4	65%	0.652	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-48.3	176.5	-72.5	-19.3	0	0	0	111.2	D469 G476	D469-D473 PolarHBondContact O-N 2.84Å; D473-G476 PolarHBondContact O-N 2.79Å
474	L	96.6	Very high	95.5	Very high	41 Å²	41	56.6 Å²	56.6	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-54.1	177.1	176.1	67.4	0	0	0	111	Y438 V455 M464 L466 G470 G476 T477	Y438-L474 HydrophobicContact CD1-CD2 4.44Å; Y438-L474 HydrophobicContact CE1-CD2 4.24Å; Y438-L474 HydrophobicContact CE1-CG 4.46Å; V455-L474 HydrophobicContact CG1-CD2 3.94Å; M464-L474 HydrophobicContact CE-CD2 3.54Å; L466-L474 HydrophobicContact CD1-CB 4.21Å; L466-L474 HydrophobicContact CD1-CD2 3.73Å; G470-L474 WeakPolarHBondContact O-CB 3.2Å; G470-L474 PolarHBondContact O-N 3.49Å; L474-G476 PolarHBondContact O-N 2.91Å; L474-T477 PolarHBondContact O-N 3.01Å; L474-T477 PolarHBondContact O-OG1 3.25Å
475	L	96.8	Very high	95.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-72.6	-19.2	-176.1	-68.6	-177.6	0	0	0	112.9	V378 L403 L407 H409 L410 Y438 L471 T477 V478	V378-L475 HydrophobicContact CG1-CD1 4.44Å; V378-L475 HydrophobicContact CG2-CD1 4.04Å; V378-L475 HydrophobicContact CG2-CD2 3.82Å; L403-L475 HydrophobicContact CD1-CD1 4.07Å; L403-L475 HydrophobicContact CD2-CD1 3.7Å; L407-L475 HydrophobicContact CD1-CB 3.59Å; H409-L475 PolarHBondContact NE2-O 2.82Å; L410-L475 HydrophobicContact CD1-CB 3.88Å; L410-L475 HydrophobicContact CD1-CD1 4.42Å; Y438-L475 HydrophobicContact CD1-CD2 4.33Å; Y438-L475 HydrophobicContact CD2-CD2 3.93Å; Y438-L475 HydrophobicContact CE2-CD2 4.42Å; Y438-L475 HydrophobicContact CG-CD2 3.88Å; L471-L475 HydrophobicContact CD1-CD1 3.53Å; L471-L475 HydrophobicContact CD1-CG 3.86Å; L471-L475 HydrophobicContact CG-CD1 4.02Å; L471-L475 WeakPolarHBondContact O-CB 3.45Å; L471-L475 WeakPolarHBondContact O-CG 3.39Å; L471-L475 PolarHBondContact O-N 3.32Å; L475-T477 PolarHBondContact O-N 2.92Å; L475-V478 HydrophobicContact CD2-CG2 4.08Å; L475-V478 WeakPolarHBondContact O-CB 3.26Å; L475-V478 PolarHBondContact O-N 2.92Å
476	G	96	Very high	95.2	Very high	36 Å²	36	53.7 Å²	53.7	37%	0.371	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-23.6	171.6	0	0	0	0	0	113.4	L472 D473 L474	L472-G476 WeakPolarHBondContact O-CA 3.31Å; L472-G476 PolarHBondContact O-N 2.68Å; D473-G476 PolarHBondContact O-N 2.79Å; L474-G476 PolarHBondContact O-N 2.91Å
477	T	94.4	Very high	95.1	Very high	103 Å²	103	54.9 Å²	54.9	63%	0.632	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.6	176.3	69.4	0	0	0	0	114	L474 L475 E479	L474-T477 PolarHBondContact O-N 3.01Å; L474-T477 PolarHBondContact O-OG1 3.25Å; L475-T477 PolarHBondContact O-N 2.92Å; T477-E479 PolarHBondContact O-N 3.37Å
478	V	94	Very high	95	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.067	32%	0.316	C	S	.	.			trans	-73.4	118.8	-177.2	176.2	0	0	0	0	110.4	Q377 H409 L410 Y438 L475 T480	Q377-V478 HydrophobicContact CB-CG1 4.15Å; Q377-V478 HydrophobicContact CG-CG1 3.76Å; H409-V478 PolarHBondContact CD2-O 3Å; H409-V478 PolarHBondContact NE2-O 3.4Å; L410-V478 HydrophobicContact CD2-CB 4.35Å; L410-V478 HydrophobicContact CD2-CG1 4.14Å; Y438-V478 HydrophobicContact CD2-CG2 4.14Å; Y438-V478 HydrophobicContact CE2-CG2 3.47Å; Y438-V478 VanDerWaalsContact CE2-CG2 3.47Å; L475-V478 HydrophobicContact CD2-CG2 4.08Å; L475-V478 WeakPolarHBondContact O-CB 3.26Å; L475-V478 PolarHBondContact O-N 2.92Å; V478-T480 HydrophobicContact CG1-CG2 4.44Å
479	E	92.9	Very high	95	Very high	134 Å²	134	53.7 Å²	53.7	63%	0.626	31%	0.314	S	S	*	.			trans	-78.4	141.9	174.8	-64.4	-173	177.1	0	0	111.9	L372 T477	L372-E479 HydrophobicContact CD2-CB 3.63Å; T477-E479 PolarHBondContact O-N 3.37Å
480	T	93.3	Very high	95	Very high	43 Å²	43	48.8 Å²	48.8	26%	0.264	29%	0.29	S	S	.	.			trans	-139.4	164.6	178.6	61.4	0	0	0	0	110	Q377 H409 L410 E413 V478	Q377-T480 HydrophobicContact CG-CG2 3.87Å; H409-T480 PolarHBondContact O-OG1 3.09Å; L410-T480 HydrophobicContact CD2-CG2 3.97Å; E413-T480 HydrophobicContact CG-CG2 4.05Å; V478-T480 HydrophobicContact CG1-CG2 4.44Å
481	V	89.3	Confident	94.8	Very high	45 Å²	45	51.3 Å²	51.3	27%	0.273	30%	0.296	S	S	.	.			trans	-131.2	0	-171.2	-168.9	0	0	0	0	112.1	R108 V109 L372	R108-V481 HydrophobicContact CB-CG1 3.51Å; R108-V481 PolarHBondContact NE-O 3.49Å; R108-V481 VanDerWaalsContact NE-O 3.12Å; R108-V481 PolarHBondContact NE-OXT 3.32Å; R108-V481 PolarHBondContact NH2-O 2.94Å; V109-V481 HydrophobicContact CG2-CB 4.26Å; V109-V481 HydrophobicContact CG2-CG1 3.81Å; V109-V481 HydrophobicContact CG2-CG2 3.63Å; L372-V481 HydrophobicContact CB-CG2 3.86Å; L372-V481 HydrophobicContact CD2-CG2 3.72Å; L372-V481 HydrophobicContact CG-CG2 4.24Å

Retrieved 481 of 481 residues in 138.1 ms (Link to these results)

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