A0A077Z1E5_TRITR Loading...

DNA cross link repair 1A protein

AlphaFold DB , UniProt , Accession A0A077Z1E5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 490 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	42.8	Very low	188 Å²	188	91.5 Å²	91.5	93%	0.926	48%	0.479	S	S	*	.				0	167.6	0	-57.8	177	-167.1	0	0	108.7	I278	M1-I278 HydrophobicContact CE-CD1 4.11Å; M1-I278 HydrophobicContact SD-CD1 4.3Å
2	A	36.3	Very low	43.1	Very low	90 Å²	90	91.6 Å²	91.6	74%	0.744	47%	0.473	S	S	*	.			trans	-64.1	143.8	165.6	0	0	0	0	0	109.8	D4	A2-D4 PolarHBondContact O-N 2.76Å
3	F	42.5	Very low	43.5	Very low	45 Å²	45	88.1 Å²	88.1	20%	0.197	46%	0.461	C	S	.	.			trans	-82	96.4	180	-179	-110.5	0	0	0	110.6	V5 R343 A346 D371	F3-V5 HydrophobicContact CD1-CG2 4.33Å; F3-V5 HydrophobicContact CE1-CG2 3.4Å; F3-V5 VanDerWaalsContact CE1-CG2 3.4Å; F3-V5 HydrophobicContact CE2-CG2 4.17Å; F3-V5 HydrophobicContact CZ-CG2 3.31Å; F3-R343 HydrophobicContact CD2-CB 4.38Å; F3-R343 HydrophobicContact CE2-CB 3.49Å; F3-R343 VanDerWaalsContact CE2-CB 3.49Å; F3-R343 HydrophobicContact CE2-CG 3.47Å; F3-R343 VanDerWaalsContact CE2-CG 3.47Å; F3-R343 HydrophobicContact CZ-CB 3.74Å; F3-R343 HydrophobicContact CZ-CG 3.72Å; F3-A346 HydrophobicContact CD1-CB 3.92Å; F3-A346 HydrophobicContact CE1-CB 3.38Å; F3-A346 HydrophobicContact CZ-CB 4.18Å; F3-D371 WeakPolarHBondContact CB-OD2 3.47Å
4	D	42.8	Very low	43.8	Very low	73 Å²	73	87.8 Å²	87.8	39%	0.39	45%	0.451	S	S	.	.			trans	-117.1	104.2	175.1	178.4	23.5	0	0	0	111.7	A2 W6 T7	A2-D4 PolarHBondContact O-N 2.76Å; D4-W6 PolarHBondContact O-N 3.41Å; D4-W6 WeakPolarHBondContact OD1-CA 3.47Å; D4-W6 VanDerWaalsContact OD1-CB 3.27Å; D4-W6 WeakPolarHBondContact OD1-CB 3.3Å; D4-W6 VanDerWaalsContact OD1-CD1 3.27Å; D4-W6 PolarHBondContact OD1-N 3.14Å; D4-T7 HydrophobicContact CB-CG2 3.97Å; D4-T7 PolarHBondContact O-N 3.49Å; D4-T7 PolarHBondContact O-OG1 3.06Å; D4-T7 WeakPolarHBondContact OD2-CG2 3.27Å; D4-T7 PolarHBondContact OD2-N 3.28Å
5	V	41.9	Very low	44.2	Very low	30 Å²	30	83.6 Å²	83.6	18%	0.182	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-63.6	-23.1	174.3	-175.3	0	0	0	0	111.7	F3 L11 A347 E350	F3-V5 HydrophobicContact CD1-CG2 4.33Å; F3-V5 HydrophobicContact CE1-CG2 3.4Å; F3-V5 VanDerWaalsContact CE1-CG2 3.4Å; F3-V5 HydrophobicContact CE2-CG2 4.17Å; F3-V5 HydrophobicContact CZ-CG2 3.31Å; V5-L11 HydrophobicContact CG1-CD2 3.64Å; V5-A347 HydrophobicContact CG1-CB 4.34Å; V5-A347 HydrophobicContact CG2-CB 4.01Å; V5-E350 WeakPolarHBondContact CB-OE2 3.42Å; V5-E350 VanDerWaalsContact CG2-OE2 3.31Å; V5-E350 WeakPolarHBondContact CG2-OE2 3.01Å
6	W	44.3	Very low	44.5	Very low	50 Å²	50	89.8 Å²	89.8	19%	0.189	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-90.4	1.6	-175	-46.7	107.5	0	0	0	114.8	D4 H8 L11 K12 L15 E350	D4-W6 PolarHBondContact O-N 3.41Å; D4-W6 WeakPolarHBondContact OD1-CA 3.47Å; D4-W6 VanDerWaalsContact OD1-CB 3.27Å; D4-W6 WeakPolarHBondContact OD1-CB 3.3Å; D4-W6 VanDerWaalsContact OD1-CD1 3.27Å; D4-W6 PolarHBondContact OD1-N 3.14Å; W6-H8 CarbonylContact O-C 3.55Å; W6-H8 PolarHBondContact O-N 2.71Å; W6-L11 HydrophobicContact CE3-CB 4.26Å; W6-L11 HydrophobicContact CE3-CD2 4.44Å; W6-L11 HydrophobicContact CZ3-CB 4.04Å; W6-L11 HydrophobicContact CZ3-CD2 3.99Å; W6-L11 HydrophobicContact CZ3-CG 4.08Å; W6-K12 HydrophobicContact CD2-CB 4.41Å; W6-K12 HydrophobicContact CD2-CD 3.85Å; W6-K12 HydrophobicContact CD2-CG 4.27Å; W6-K12 HydrophobicContact CE3-CB 3.56Å; W6-K12 HydrophobicContact CE3-CD 3.86Å; W6-K12 HydrophobicContact CE3-CG 3.8Å; W6-K12 HydrophobicContact CG-CD 4.28Å; W6-K12 HydrophobicContact CH2-CB 4.45Å; W6-K12 HydrophobicContact CH2-CG 4.11Å; W6-K12 HydrophobicContact CZ3-CB 3.6Å; W6-K12 HydrophobicContact CZ3-CD 4.24Å; W6-K12 HydrophobicContact CZ3-CG 3.72Å; W6-L15 HydrophobicContact CH2-CD1 4.29Å; W6-E350 HydrophobicContact CZ2-CG 3.65Å; W6-E350 PolarHBondContact NE1-OE1 3.03Å
7	T	47	Very low	44.8	Very low	116 Å²	116	93.4 Å²	93.4	71%	0.712	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-51.9	-22.2	172.4	45.4	0	0	0	0	113.1	D4	D4-T7 HydrophobicContact CB-CG2 3.97Å; D4-T7 PolarHBondContact O-N 3.49Å; D4-T7 PolarHBondContact O-OG1 3.06Å; D4-T7 WeakPolarHBondContact OD2-CG2 3.27Å; D4-T7 PolarHBondContact OD2-N 3.28Å
8	H	45	Very low	44.9	Very low	116 Å²	116	95.3 Å²	95.3	54%	0.537	46%	0.46	S	S	.	.	S	Bend	trans	-104.7	117.8	163	-116.1	-82.8	0	0	0	112.2	W6 D10 R310	W6-H8 CarbonylContact O-C 3.55Å; W6-H8 PolarHBondContact O-N 2.71Å; H8-D10 PolarHBondContact O-N 3.15Å; H8-R310 PolarHBondContact CD2-NH1 3.35Å; H8-R310 PolarHBondContact NE2-NH1 2.98Å; H8-R310 VanDerWaalsContact NE2-NH1 3.1Å
9	K	42.3	Very low	44.6	Very low	196 Å²	196	94.6 Å²	94.6	85%	0.852	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-18.6	-174.5	-70	-179.5	177.4	175.6	0	116.8
10	D	48.5	Very low	44.3	Very low	79 Å²	79	94.6 Å²	94.6	42%	0.422	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-50.7	-171.2	179.6	43.5	0	0	0	113.3	H8 K12 S13 R14	H8-D10 PolarHBondContact O-N 3.15Å; D10-K12 VanDerWaalsContact C-N 3.33Å; D10-K12 PolarHBondContact O-N 3.21Å; D10-S13 WeakPolarHBondContact O-CA 3.35Å; D10-S13 WeakPolarHBondContact O-CB 3.44Å; D10-S13 PolarHBondContact O-N 3.44Å; D10-S13 PolarHBondContact O-OG 3.02Å; D10-R14 VanDerWaalsContact CG-CD 3.41Å; D10-R14 PolarHBondContact O-N 3Å; D10-R14 VanDerWaalsContact O-N 3.12Å; D10-R14 WeakPolarHBondContact OD1-CD 3.43Å; D10-R14 WeakPolarHBondContact OD2-CD 3.21Å; D10-R14 IonicContact OD2-CZ 2.65Å; D10-R14 IonicContact OD2-NE 2.67Å; D10-R14 IonicContact OD2-NH1 2.66Å; D10-R14 PolarHBondContact OD2-NH1 2.85Å
11	L	44.9	Very low	44	Very low	23 Å²	23	98.8 Å²	98.8	12%	0.12	49%	0.49	C	S	.	.	H	α-helix	trans	-59.6	-41.7	-165.5	-164.9	72.9	0	0	0	112.6	V5 W6 S13 R14 L15 L317	V5-L11 HydrophobicContact CG1-CD2 3.64Å; W6-L11 HydrophobicContact CE3-CB 4.26Å; W6-L11 HydrophobicContact CE3-CD2 4.44Å; W6-L11 HydrophobicContact CZ3-CB 4.04Å; W6-L11 HydrophobicContact CZ3-CD2 3.99Å; W6-L11 HydrophobicContact CZ3-CG 4.08Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 3.42Å; L11-R14 PolarHBondContact O-N 3.21Å; L11-L15 HydrophobicContact CG-CD1 4.42Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-L15 VanDerWaalsContact O-N 3.14Å; L11-L317 HydrophobicContact CD1-CD1 4.43Å; L11-L317 HydrophobicContact CD2-CD1 4.2Å
12	K	47	Very low	44	Very low	93 Å²	93	97.7 Å²	97.7	40%	0.404	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-30.4	179.7	-145	162.5	-164.6	151.8	0	112	W6 D10 R16	W6-K12 HydrophobicContact CD2-CB 4.41Å; W6-K12 HydrophobicContact CD2-CD 3.85Å; W6-K12 HydrophobicContact CD2-CG 4.27Å; W6-K12 HydrophobicContact CE3-CB 3.56Å; W6-K12 HydrophobicContact CE3-CD 3.86Å; W6-K12 HydrophobicContact CE3-CG 3.8Å; W6-K12 HydrophobicContact CG-CD 4.28Å; W6-K12 HydrophobicContact CH2-CB 4.45Å; W6-K12 HydrophobicContact CH2-CG 4.11Å; W6-K12 HydrophobicContact CZ3-CB 3.6Å; W6-K12 HydrophobicContact CZ3-CD 4.24Å; W6-K12 HydrophobicContact CZ3-CG 3.72Å; D10-K12 VanDerWaalsContact C-N 3.33Å; D10-K12 PolarHBondContact O-N 3.21Å; K12-R16 WeakPolarHBondContact O-CB 3.01Å; K12-R16 WeakPolarHBondContact O-CG 3.48Å; K12-R16 PolarHBondContact O-N 2.67Å
13	S	47.6	Very low	44	Very low	46 Å²	46	100.9 Å²	100.9	32%	0.322	49%	0.487	S	S	.	.	H	α-helix	trans	-74.8	-40.8	176.6	88.5	0	0	0	0	111.8	D10 L11 K17	D10-S13 WeakPolarHBondContact O-CA 3.35Å; D10-S13 WeakPolarHBondContact O-CB 3.44Å; D10-S13 PolarHBondContact O-N 3.44Å; D10-S13 PolarHBondContact O-OG 3.02Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 3.42Å; S13-K17 VanDerWaalsContact O-CB 3.27Å; S13-K17 WeakPolarHBondContact O-CB 3.38Å; S13-K17 VanDerWaalsContact O-CG 3.3Å; S13-K17 WeakPolarHBondContact O-CG 3.44Å; S13-K17 PolarHBondContact O-N 3.12Å
14	R	48.6	Very low	43.8	Very low	84 Å²	84	105.4 Å²	105.4	32%	0.317	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-46	-178.8	-76	170.7	59.3	-174.3	-6.1	112.6	D10 L11 R18 S314 D318	D10-R14 VanDerWaalsContact CG-CD 3.41Å; D10-R14 PolarHBondContact O-N 3Å; D10-R14 VanDerWaalsContact O-N 3.12Å; D10-R14 WeakPolarHBondContact OD1-CD 3.43Å; D10-R14 WeakPolarHBondContact OD2-CD 3.21Å; D10-R14 IonicContact OD2-CZ 2.65Å; D10-R14 IonicContact OD2-NE 2.67Å; D10-R14 IonicContact OD2-NH1 2.66Å; D10-R14 PolarHBondContact OD2-NH1 2.85Å; L11-R14 PolarHBondContact O-N 3.21Å; R14-R18 WeakPolarHBondContact O-CB 3.48Å; R14-R18 PolarHBondContact O-N 2.65Å; R14-S314 PolarHBondContact NH2-OG 2.75Å; R14-D318 IonicContact NH2-OD2 3.97Å; R14-D318 PolarHBondContact NH2-OD2 2.97Å
15	L	48.9	Very low	43.4	Very low	25 Å²	25	109.9 Å²	109.9	13%	0.131	53%	0.533	C	S	.	.	H	α-helix	trans	-64.6	-44.3	177.8	-67.9	172.9	0	0	0	111.5	W6 L11 R18 S19 A351	W6-L15 HydrophobicContact CH2-CD1 4.29Å; L11-L15 HydrophobicContact CG-CD1 4.42Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-L15 VanDerWaalsContact O-N 3.14Å; L15-R18 PolarHBondContact O-N 2.91Å; L15-S19 PolarHBondContact O-N 3.26Å; L15-A351 HydrophobicContact CD1-CB 3.98Å
16	R	50.2	Low	43	Very low	183 Å²	183	117.1 Å²	117.1	69%	0.691	57%	0.569	S	S	*	*	H	α-helix	trans	-65.8	-47.6	177.8	-73.8	-177.3	170.7	-165.2	-4.5	112.8	K12 R18 S19 S20	K12-R16 WeakPolarHBondContact O-CB 3.01Å; K12-R16 WeakPolarHBondContact O-CG 3.48Å; K12-R16 PolarHBondContact O-N 2.67Å; R16-R18 PolarHBondContact O-N 3.45Å; R16-S19 WeakPolarHBondContact O-CB 3.47Å; R16-S19 PolarHBondContact O-N 3.34Å; R16-S20 PolarHBondContact O-N 3.23Å; R16-S20 PolarHBondContact O-OG 3.08Å
17	K	48.7	Very low	42.4	Very low	151 Å²	151	117.2 Å²	117.2	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-65.8	-17.7	179.2	-73.3	178.2	174.8	-179.6	0	114.3	S13	S13-K17 VanDerWaalsContact O-CB 3.27Å; S13-K17 WeakPolarHBondContact O-CB 3.38Å; S13-K17 VanDerWaalsContact O-CG 3.3Å; S13-K17 WeakPolarHBondContact O-CG 3.44Å; S13-K17 PolarHBondContact O-N 3.12Å
18	R	46.9	Very low	41.6	Very low	128 Å²	128	117.4 Å²	117.4	48%	0.483	60%	0.599	S	S	.	*	H	α-helix	trans	-91	-15.8	171.3	-78	-177.7	167.5	167.2	-2	114	R14 L15 R16 D318	R14-R18 WeakPolarHBondContact O-CB 3.48Å; R14-R18 PolarHBondContact O-N 2.65Å; L15-R18 PolarHBondContact O-N 2.91Å; R16-R18 PolarHBondContact O-N 3.45Å; R18-D318 IonicContact CZ-OD2 3.18Å; R18-D318 IonicContact NH1-OD1 3.33Å; R18-D318 PolarHBondContact NH1-OD1 3.33Å; R18-D318 IonicContact NH1-OD2 3.67Å; R18-D318 PolarHBondContact NH1-OD2 3.03Å
19	S	39.8	Very low	41.1	Very low	82 Å²	82	116.4 Å²	116.4	57%	0.573	61%	0.605	S	S	*	*	H	α-helix	trans	-83.6	-44.7	171.5	-169.5	0	0	0	0	110.9	L15 R16 K21	L15-S19 PolarHBondContact O-N 3.26Å; R16-S19 WeakPolarHBondContact O-CB 3.47Å; R16-S19 PolarHBondContact O-N 3.34Å; S19-K21 PolarHBondContact O-N 2.85Å
20	S	38.6	Very low	41	Very low	93 Å²	93	112.9 Å²	112.9	65%	0.65	60%	0.6	S	S	*	*	S	Bend	trans	-76.9	40.6	179	71.9	0	0	0	0	114.3	R16	R16-S20 PolarHBondContact O-N 3.23Å; R16-S20 PolarHBondContact O-OG 3.08Å
21	K	37.3	Very low	40.5	Very low	183 Å²	183	116 Å²	116	80%	0.796	61%	0.612	S	S	*	*			trans	-140.4	58.9	168.8	-81.7	-152.1	168.5	-157.5	0	110.2	S19	S19-K21 PolarHBondContact O-N 2.85Å
22	Q	35.6	Very low	40.1	Very low	165 Å²	165	118.2 Å²	118.2	77%	0.771	63%	0.634	S	S	*	*			trans	-90.6	165.7	142.6	-65.8	-178.6	-100.5	0	0	107.6
23	D	34.8	Very low	39.7	Very low	157 Å²	157	122.6 Å²	122.6	84%	0.84	65%	0.653	S	S	*	*			trans	58.6	81.4	-179.7	-47.8	-24.8	0	0	0	114.5
24	D	39.2	Very low	39.3	Very low	140 Å²	140	123.7 Å²	123.7	75%	0.749	67%	0.665	S	S	*	*				-171.7	160.4	102.7	-123.4	-38.1	0	0	0	114.2	L26	D24-L26 PolarHBondContact O-N 3.13Å
25	Q	34.3	Very low	38.9	Very low	168 Å²	168	126.4 Å²	126.4	79%	0.785	68%	0.679	S	S	*	*			trans	-46.9	116.8	-172.6	-59.5	152.5	61.5	0	0	117.2
26	L	32.5	Very low	38.4	Very low	181 Å²	181	135.4 Å²	135.4	95%	0.948	71%	0.711	S	S	*	*				-171	149.4	127.6	-133	68.1	0	0	0	114	D24	D24-L26 PolarHBondContact O-N 3.13Å
27	G	31.7	Very low	37.8	Very low	52 Å²	52	130.3 Å²	130.3	54%	0.536	71%	0.708	S	S	.	*			trans	112.9	41.7	140.8	0	0	0	0	0	120	S29	G27-S29 PolarHBondContact O-N 3.35Å
28	A	31	Very low	37.2	Very low	121 Å²	121	128.9 Å²	128.9	100%	1	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	73.9	164.4	0	0	0	0	0	111.9
29	S	35.4	Very low	36.7	Very low	95 Å²	95	130.7 Å²	130.7	66%	0.664	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.7	-25.5	-175.2	-163.7	0	0	0	0	114.8	G27	G27-S29 PolarHBondContact O-N 3.35Å
30	V	38.5	Very low	36.5	Very low	122 Å²	122	137.7 Å²	137.7	74%	0.739	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-32.7	-168.4	-175.1	0	0	0	0	113.8	A32 K33	V30-A32 PolarHBondContact O-N 3.45Å; V30-A32 VanDerWaalsContact O-N 3.14Å; V30-K33 PolarHBondContact O-N 2.86Å
31	E	39.6	Very low	36.2	Very low	143 Å²	143	144.7 Å²	144.7	67%	0.668	75%	0.752	S	S	*	*	H	α-helix	trans	-64.5	-20.2	-175.3	-92.4	-160.9	88.3	0	0	115.3	K35	E31-K35 IonicContact OE1-NZ 2.71Å; E31-K35 PolarHBondContact OE1-NZ 3.48Å
32	A	36.4	Very low	35.9	Very low	71 Å²	71	145 Å²	145	59%	0.587	75%	0.754	S	S	*	*	H	α-helix	trans	-77.5	-18.9	-176.3	0	0	0	0	0	114.3	V30	V30-A32 PolarHBondContact O-N 3.45Å; V30-A32 VanDerWaalsContact O-N 3.14Å
33	K	38	Very low	35.6	Very low	184 Å²	184	146.6 Å²	146.6	80%	0.8	76%	0.759	S	S	*	*	H	α-helix	trans	-97.1	-31	-175.9	-75.7	-178.4	176.9	174.8	0	114.2	V30	V30-K33 PolarHBondContact O-N 2.86Å
34	A	39.6	Very low	35.3	Very low	70 Å²	70	144.7 Å²	144.7	58%	0.579	76%	0.756	S	S	*	*	H	α-helix	trans	-66.3	-41.6	177.6	0	0	0	0	0	112.6	R36 A37	A34-R36 PolarHBondContact O-N 2.76Å; A34-A37 PolarHBondContact O-N 2.73Å
35	K	39.4	Very low	34.7	Very low	141 Å²	141	146.1 Å²	146.1	61%	0.613	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-5.5	-175.3	-71.3	171.6	-177.4	159.8	0	114.9	E31	E31-K35 IonicContact OE1-NZ 2.71Å; E31-K35 PolarHBondContact OE1-NZ 3.48Å
36	R	38.3	Very low	34.4	Very low	213 Å²	213	145.9 Å²	145.9	80%	0.804	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-4.5	177.5	-71.1	-174.4	174.5	-175.9	-0.5	115.1	A34	A34-R36 PolarHBondContact O-N 2.76Å
37	A	37.7	Very low	34.2	Very low	77 Å²	77	142.5 Å²	142.5	64%	0.636	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-37.8	-178.1	0	0	0	0	0	113.8	A34	A34-A37 PolarHBondContact O-N 2.73Å
38	T	36.2	Very low	34.2	Very low	121 Å²	121	147.4 Å²	147.4	74%	0.742	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-83	-22.4	-170	-36.5	0	0	0	0	113.8	R40	T38-R40 PolarHBondContact O-N 3.19Å
39	Q	37.1	Very low	34.1	Very low	165 Å²	165	147 Å²	147	77%	0.771	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-72.7	11.8	179.1	-87.5	-179.3	-28.5	0	0	115.1
40	R	34.8	Very low	33.7	Very low	229 Å²	229	148.1 Å²	148.1	86%	0.864	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-123.9	25.1	-177.4	-85.1	-171.5	167.3	-165.9	-4.3	115.7	T38	T38-R40 PolarHBondContact O-N 3.19Å
41	R	32.8	Very low	33.4	Very low	241 Å²	241	147.4 Å²	147.4	91%	0.909	77%	0.768	S	S	*	*	S	Bend	trans	-121.2	11.2	164	-80.6	-172.4	169.6	157.2	0	114.9	F43	R41-F43 VanDerWaalsContact C-N 3.25Å; R41-F43 PolarHBondContact O-N 3.12Å; R41-F43 VanDerWaalsContact O-N 3.15Å
42	F	31.3	Very low	32.8	Very low	189 Å²	189	144.6 Å²	144.6	83%	0.829	78%	0.777	S	S	*	*			trans	-87	47.7	177.7	-130.7	-84.4	0	0	0	112.4
43	F	29.5	Very low	32.6	Very low	199 Å²	199	147.6 Å²	147.6	87%	0.873	78%	0.782	S	S	*	*			trans	-158	71	177.1	-132.6	-80.8	0	0	0	114.6	R41	R41-F43 VanDerWaalsContact C-N 3.25Å; R41-F43 PolarHBondContact O-N 3.12Å; R41-F43 VanDerWaalsContact O-N 3.15Å
44	C	27.7	Very low	32.2	Very low	116 Å²	116	147.1 Å²	147.1	78%	0.784	78%	0.783	S	S	*	*	S	Bend	trans	-158.8	145.6	151	-162.4	0	0	0	0	108.6
45	L	27.4	Very low	31.7	Very low	170 Å²	170	150.4 Å²	150.4	89%	0.89	80%	0.799	S	S	*	*			trans	62.9	61.8	-174.4	-57.7	174	0	0	0	115.3
46	L	27	Very low	31.2	Very low	164 Å²	164	152.2 Å²	152.2	86%	0.859	81%	0.808	S	S	*	*			trans	-117.6	102.6	153.4	-96.7	172.5	0	0	0	109.4
47	S	30	Very low	31	Very low	109 Å²	109	146 Å²	146	76%	0.762	80%	0.797	S	S	*	*			trans	-166	159.4	160.3	-165.5	0	0	0	0	110.1
48	L	31.6	Very low	30.9	Very low	156 Å²	156	146.7 Å²	146.7	82%	0.817	79%	0.789	S	S	*	*			trans	68.4	61.5	173.7	-51.9	-176.3	0	0	0	117.5
49	C	28.3	Very low	30.8	Very low	113 Å²	113	144.3 Å²	144.3	76%	0.764	77%	0.774	S	S	*	*				41.1	123.8	121.4	-60.2	0	0	0	0	122
50	S	27.3	Very low	30.5	Very low	118 Å²	118	140.4 Å²	140.4	83%	0.825	77%	0.765	S	S	*	*				67	59.3	121.3	-48.6	0	0	0	0	120.4
51	S	31.8	Very low	30.3	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	76%	0.764	S	S	*	*			trans	-152.4	140	139.6	53.6	0	0	0	0	110.9	I53	S51-I53 PolarHBondContact O-N 3.29Å
52	G	27.3	Very low	30.3	Very low	84 Å²	84	131.5 Å²	131.5	87%	0.866	74%	0.743	S	S	*	*			trans	-82.5	113.5	-173	0	0	0	0	0	113
53	I	31.1	Very low	30.3	Very low	133 Å²	133	127.4 Å²	127.4	68%	0.682	73%	0.725	S	S	*	*			trans	-135	150.7	170.5	-71.7	176.4	0	0	0	108.7	S51	S51-I53 PolarHBondContact O-N 3.29Å
54	E	30.3	Very low	30.4	Very low	175 Å²	175	126.2 Å²	126.2	82%	0.818	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-69.3	151.5	-166	-57.1	169.3	115	0	0	115.1	F56	E54-F56 PolarHBondContact O-N 2.79Å
55	C	29.2	Very low	30.5	Very low	138 Å²	138	127.6 Å²	127.6	93%	0.932	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-67.8	127.7	171.9	-78.3	0	0	0	0	111.9
56	F	29.4	Very low	30.7	Very low	180 Å²	180	126.9 Å²	126.9	79%	0.789	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-72	144.6	-175.5	-84.8	-112.5	0	0	0	113.7	E54	E54-F56 PolarHBondContact O-N 2.79Å
57	S	32.9	Very low	30.9	Very low	81 Å²	81	126.5 Å²	126.5	57%	0.566	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-68.6	143.1	172.1	170.7	0	0	0	0	112.5	T59	S57-T59 PolarHBondContact O-N 2.93Å; S57-T59 PolarHBondContact OG-OG1 3.42Å; S57-T59 VanDerWaalsContact OG-OG1 3.06Å
58	I	35.8	Very low	30.7	Very low	92 Å²	92	130.9 Å²	130.9	47%	0.472	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	60.5	168.5	-48.3	176.9	0	0	0	110.3	E431	I58-E431 HydrophobicContact CD1-CB 4.31Å; I58-E431 HydrophobicContact CD1-CG 4.47Å
59	T	33.6	Very low	30.5	Very low	72 Å²	72	127.6 Å²	127.6	44%	0.442	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.9	-9.2	168.5	31.6	0	0	0	0	112.8	S57 K63	S57-T59 PolarHBondContact O-N 2.93Å; S57-T59 PolarHBondContact OG-OG1 3.42Å; S57-T59 VanDerWaalsContact OG-OG1 3.06Å; T59-K63 WeakPolarHBondContact O-CD 3.27Å; T59-K63 WeakPolarHBondContact O-CG 3.47Å
60	S	31.3	Very low	30.4	Very low	82 Å²	82	128.6 Å²	128.6	57%	0.573	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-28.6	-175.7	-50.5	0	0	0	0	114.4
61	F	30.4	Very low	30.5	Very low	192 Å²	192	128.1 Å²	128.1	84%	0.842	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-25.2	-166.6	-133.8	-94.6	0	0	0	114.7
62	I	33.3	Very low	30.3	Very low	91 Å²	91	132.9 Å²	132.9	47%	0.467	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-32.1	179.9	-62.6	175	0	0	0	111.4	M64	I62-M64 PolarHBondContact O-N 3.14Å
63	K	31.7	Very low	30.3	Very low	103 Å²	103	134.3 Å²	134.3	45%	0.448	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	12.3	-172.4	-69.9	-174.3	-179.6	176.8	0	115.8	T59	T59-K63 WeakPolarHBondContact O-CD 3.27Å; T59-K63 WeakPolarHBondContact O-CG 3.47Å
64	M	30.7	Very low	30.3	Very low	175 Å²	175	136.3 Å²	136.3	86%	0.862	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-9.2	-168.6	-135.5	175.3	-160	0	0	115.7	I62	I62-M64 PolarHBondContact O-N 3.14Å
65	K	30.8	Very low	30.1	Very low	145 Å²	145	133.9 Å²	133.9	63%	0.63	70%	0.699	S	S	*	*	S	Bend	trans	-115.1	-14.6	175.3	-95.3	-162.9	167.2	-164.7	0	115.5	E303	K65-E303 IonicContact NZ-OE1 2.87Å; K65-E303 IonicContact NZ-OE2 3.66Å; K65-E303 PolarHBondContact NZ-OE2 2.88Å
66	E	31.3	Very low	30.1	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.724	69%	0.694	S	S	*	*	S	Bend	trans	-100.2	24.9	-173.8	-60.2	178.6	144.8	0	0	114
67	K	29.8	Very low	30.1	Very low	156 Å²	156	133.5 Å²	133.5	68%	0.678	69%	0.689	S	S	*	*			trans	-124.6	70.2	-175.3	-81.2	-167.7	169.8	-169.8	0	114
68	F	27.6	Very low	30.2	Very low	201 Å²	201	137.1 Å²	137.1	88%	0.882	70%	0.697	S	S	*	*			trans	-130.9	168.5	147.4	-119.2	-104.5	0	0	0	107.9
69	V	26.6	Very low	29.9	Very low	87 Å²	87	137.7 Å²	137.7	53%	0.527	71%	0.709	S	S	.	*			trans	72.8	81.6	177.5	-167.1	0	0	0	0	116.4	S471	V69-S471 WeakPolarHBondContact CG1-OG 3.27Å; V69-S471 WeakPolarHBondContact CG2-OG 3.49Å
70	V	26.2	Very low	29.8	Very low	134 Å²	134	142 Å²	142	81%	0.812	73%	0.729	S	S	*	*				-146.9	152.4	129.5	176	0	0	0	0	107
71	S	28.3	Very low	29.9	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	75%	0.746	S	S	*	*			trans	60.4	99.5	170.1	60.3	0	0	0	0	119.4
72	K	29.5	Very low	29.9	Very low	208 Å²	208	143 Å²	143	90%	0.904	74%	0.737	S	S	*	*				-160	139.3	95.6	-102.7	176.6	-178.4	-179	0	110.7
73	S	26.5	Very low	29.8	Very low	114 Å²	114	143.9 Å²	143.9	80%	0.797	75%	0.751	S	S	*	*			trans	-89.3	129.3	174	49.2	0	0	0	0	110.4
74	L	30.1	Very low	29.9	Very low	175 Å²	175	146.3 Å²	146.3	92%	0.916	77%	0.768	S	S	*	*			trans	-139.6	127	163.4	-90.8	164.9	0	0	0	107.1
75	D	28.1	Very low	29.9	Very low	124 Å²	124	148.5 Å²	148.5	66%	0.663	77%	0.766	S	S	*	*			trans	-73.6	144.7	175.3	-75.6	-76.1	0	0	0	111
76	Y	29.1	Very low	30.2	Very low	211 Å²	211	148.3 Å²	148.3	83%	0.827	78%	0.778	S	S	*	*			trans	-153	139.8	150.3	-124.1	-82.9	0	0	0	109.2
77	S	28.9	Very low	30.6	Very low	98 Å²	98	146.2 Å²	146.2	69%	0.685	78%	0.78	S	S	*	*			trans	-150.6	88.9	-178.5	58.4	0	0	0	0	111.8
78	E	33.8	Very low	31.1	Very low	157 Å²	157	144.1 Å²	144.1	73%	0.734	78%	0.782	S	S	*	*			trans	-145.5	113.2	168.8	-100.2	160.9	-171.3	0	0	105.5
79	S	30.8	Very low	31.6	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	78%	0.775	S	S	*	*				80.7	107.9	81.1	76	0	0	0	0	111.9
80	L	31.4	Very low	32.2	Very low	161 Å²	161	143.3 Å²	143.3	84%	0.843	78%	0.776	S	S	*	*			trans	-153.5	71.7	173.2	-123.6	170.4	0	0	0	110.3
81	Q	33.4	Very low	33	Very low	202 Å²	202	143.8 Å²	143.8	94%	0.944	78%	0.775	S	S	*	*			trans	-85.1	103	159	-78.9	-176.3	-27.2	0	0	108
82	S	29.9	Very low	33.7	Very low	94 Å²	94	145 Å²	145	66%	0.657	77%	0.772	S	S	*	*			trans	-97.5	117	175.1	55.6	0	0	0	0	111
83	S	30.6	Very low	34.4	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	76%	0.76	S	S	*	*			trans	161.8	120.6	135.9	-74.7	0	0	0	0	111.7
84	I	33.8	Very low	35.1	Very low	154 Å²	154	141.9 Å²	141.9	79%	0.79	76%	0.756	S	S	*	*				176.1	109.1	115.1	-89.7	160	0	0	0	111.2
85	R	32.6	Very low	35.5	Very low	221 Å²	221	140.5 Å²	140.5	83%	0.834	75%	0.75	S	S	*	*			trans	68.3	149.6	143.8	-66.3	-178.9	179.8	-173.6	-1.4	123.8
86	T	36.5	Very low	35.9	Very low	141 Å²	141	138.5 Å²	138.5	87%	0.865	75%	0.75	S	S	*	*			trans	79.7	142.7	154.4	31.9	0	0	0	0	119.7
87	S	38.7	Very low	36.3	Very low	111 Å²	111	134.3 Å²	134.3	78%	0.776	75%	0.752	S	S	*	*			trans	-164.6	-176.3	-158.6	56.8	0	0	0	0	108.1
88	P	40.8	Very low	36.6	Very low	112 Å²	112	141.1 Å²	141.1	73%	0.727	76%	0.763	S	S	*	*			cis	-115.1	-160.9	-40.4	37.9	-23.3	0	0	0	109.5
89	K	37.9	Very low	36.8	Very low	168 Å²	168	139.1 Å²	139.1	73%	0.73	76%	0.763	S	S	*	*			trans	176.6	129.5	133.8	-93.6	-173	163.5	-92.9	0	109.3
90	D	40.7	Very low	37.5	Very low	103 Å²	103	139.6 Å²	139.6	55%	0.551	76%	0.764	S	S	*	*				65.4	121.8	105.1	-47.9	1	0	0	0	113.7
91	D	42.4	Very low	37.9	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	76%	0.761	S	S	*	*			cis	-159.6	-163.5	-21.1	-75.4	-51.8	0	0	0	106
92	D	42.9	Very low	37.8	Very low	131 Å²	131	137.7 Å²	137.7	70%	0.701	76%	0.758	S	S	*	*			cis	-164.6	178	0.5	-148.3	-15.3	0	0	0	112.7
93	L	44.1	Very low	38.1	Very low	122 Å²	122	139.3 Å²	139.3	64%	0.639	77%	0.767	S	S	*	*			trans	56.8	117.5	150.5	-64.9	164.4	0	0	0	125.1
94	N	41.7	Very low	38.1	Very low	136 Å²	136	139.5 Å²	139.5	73%	0.727	77%	0.768	S	S	*	*				63.5	157	127.9	-62.4	-13.5	0	0	0	121.8
95	N	38.3	Very low	38	Very low	145 Å²	145	136.9 Å²	136.9	78%	0.775	76%	0.763	S	S	*	*			cis	-149.2	-177.6	6.3	-149.4	-17.1	0	0	0	113.5
96	A	36.3	Very low	38	Very low	82 Å²	82	132.9 Å²	132.9	68%	0.678	76%	0.759	S	S	*	*			trans	-41.3	160.8	175.7	0	0	0	0	0	117.5
97	S	37.6	Very low	37.5	Very low	123 Å²	123	131.2 Å²	131.2	86%	0.86	75%	0.753	S	S	*	*				-166.4	-159.6	58.9	58.7	0	0	0	0	116.4
98	R	35.4	Very low	37.1	Very low	242 Å²	242	132.5 Å²	132.5	91%	0.913	76%	0.756	S	S	*	*			trans	-100.2	160.8	-149.8	-78.1	-178.6	170.1	-172.3	-2	117.6
99	P	38	Very low	36.4	Very low	114 Å²	114	135.8 Å²	135.8	74%	0.74	76%	0.761	S	S	*	*			trans	-105.2	-159.3	167.8	44	-36.2	0	0	0	112.1
100	P	44.6	Very low	35.9	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	77%	0.767	S	S	*	*			cis	-111.9	-159.6	-48.1	38.4	-20.7	0	0	0	110.3
101	P	39.3	Very low	35.2	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	78%	0.775	S	S	*	*				-153.2	-173	76.2	41.1	-19.3	0	0	0	116.3
102	F	31.6	Very low	34.4	Very low	202 Å²	202	134 Å²	134	89%	0.886	77%	0.769	S	S	*	*			trans	-81.9	159.4	168.5	-75.6	-92.8	0	0	0	112.7
103	P	37.2	Very low	33.7	Very low	129 Å²	129	135.3 Å²	135.3	84%	0.838	77%	0.771	S	S	*	*				-138.8	-177.2	123	39.5	-28	0	0	0	114.3
104	S	30.4	Very low	32.7	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	78%	0.779	S	S	*	*			trans	-123.8	150.2	-173.3	56.3	0	0	0	0	113
105	S	31.5	Very low	32	Very low	99 Å²	99	141.8 Å²	141.8	69%	0.692	79%	0.785	S	S	*	*				179.4	168.4	128.1	67.7	0	0	0	0	114.8
106	D	31.2	Very low	31.5	Very low	137 Å²	137	140.2 Å²	140.2	73%	0.733	78%	0.781	S	S	*	*			trans	69.5	88.3	146.8	-51.9	-29.9	0	0	0	123.9
107	S	27	Very low	31	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	79%	0.79	S	S	*	*				49.6	117.7	120.1	67.6	0	0	0	0	122.8
108	V	29.8	Very low	30.4	Very low	138 Å²	138	146.5 Å²	146.5	84%	0.836	79%	0.786	S	S	*	*			trans	-137.6	138.5	136.8	178.3	0	0	0	0	109
109	Q	25.8	Very low	29.9	Very low	181 Å²	181	139.3 Å²	139.3	85%	0.846	77%	0.77	S	S	*	*			trans	-91.8	131.9	172.3	-65.7	177.5	-20.3	0	0	111.1
110	I	27.6	Very low	29.3	Very low	168 Å²	168	138 Å²	138	86%	0.862	77%	0.769	S	S	*	*			trans	-136	135.7	156.9	-62.5	-175.3	0	0	0	108.8
111	T	27.2	Very low	28.5	Very low	115 Å²	115	140.5 Å²	140.5	71%	0.706	77%	0.768	S	S	*	*			trans	-112.5	123.6	-164.1	44.7	0	0	0	0	114.9
112	S	25.5	Very low	27.8	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	77%	0.774	S	S	*	*			trans	78.1	159	140.8	87.1	0	0	0	0	121.3
113	Q	26.7	Very low	27.5	Very low	158 Å²	158	140.1 Å²	140.1	74%	0.738	76%	0.764	S	S	*	*			trans	77.9	101.9	154.3	-67.3	-179	70.9	0	0	121.9
114	R	24.6	Very low	26.9	Very low	212 Å²	212	143.5 Å²	143.5	80%	0.8	77%	0.765	S	S	*	*				48.1	112.7	122.3	-63.7	177.1	172.2	-171.1	-2.7	119.7
115	Q	25.8	Very low	26.9	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	76%	0.763	S	S	*	*				-174.4	106.8	123.2	-98.6	167.9	9.8	0	0	108.4
116	T	27.8	Very low	26.6	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.693	77%	0.769	S	S	*	*				64.2	109.3	84	63.4	0	0	0	0	116.6
117	Q	26.1	Very low	26.4	Very low	188 Å²	188	139 Å²	139	88%	0.879	77%	0.769	S	S	*	*				157.1	105.3	118.5	-84.5	-167.7	39.8	0	0	111
118	L	24.9	Very low	26.5	Very low	148 Å²	148	142.1 Å²	142.1	78%	0.775	78%	0.775	S	S	*	*			trans	-163.9	90.8	169.9	-126.9	175.7	0	0	0	114
119	T	25.8	Very low	26.3	Very low	91 Å²	91	141.7 Å²	141.7	56%	0.558	77%	0.773	S	S	*	*			trans	166.1	78.5	131.2	32.1	0	0	0	0	112.6
120	A	24.6	Very low	26.5	Very low	88 Å²	88	139.3 Å²	139.3	73%	0.727	78%	0.776	S	S	*	*			trans	-90.4	90	158.2	0	0	0	0	0	108.5
121	F	27.3	Very low	26.4	Very low	168 Å²	168	143 Å²	143	74%	0.737	78%	0.779	S	S	*	*			trans	-135.1	0.9	-169.6	-116.7	-93.7	0	0	0	116.2
122	F	25.5	Very low	26.3	Very low	204 Å²	204	142.5 Å²	142.5	90%	0.895	79%	0.787	S	S	*	*	S	Bend	trans	-131.5	20.3	175.9	-76.8	-70.8	0	0	0	113.7
123	T	25.2	Very low	26.4	Very low	110 Å²	110	147.8 Å²	147.8	68%	0.675	80%	0.797	S	S	*	*			trans	-128.5	100.8	-177.2	49.6	0	0	0	0	111.2
124	F	25.2	Very low	26.3	Very low	200 Å²	200	150.3 Å²	150.3	88%	0.877	81%	0.806	S	S	*	*			trans	-103.8	90.2	159	-166.5	-87.9	0	0	0	108.6
125	S	30	Very low	26.5	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	80%	0.804	S	S	*	*			trans	-67	141	174.5	-58.9	0	0	0	0	110.4
126	G	25.4	Very low	26.5	Very low	79 Å²	79	146.3 Å²	146.3	81%	0.814	81%	0.807	S	S	*	*			trans	-84.6	167.6	-171.9	0	0	0	0	0	115.6
127	G	26.6	Very low	26.6	Very low	71 Å²	71	145.7 Å²	145.7	73%	0.732	81%	0.813	S	S	*	*			trans	136.4	143.9	-177.9	0	0	0	0	0	109.9
128	I	30	Very low	26.7	Very low	170 Å²	170	146 Å²	146	87%	0.872	81%	0.812	S	S	*	*			cis	-134.5	159.5	0.7	-72.7	175.8	0	0	0	109.2
129	T	25.3	Very low	26.9	Very low	129 Å²	129	143.6 Å²	143.6	79%	0.791	81%	0.807	S	S	*	*			trans	-76.4	145.1	180	51.6	0	0	0	0	114.9
130	S	30.5	Very low	27	Very low	131 Å²	131	146.9 Å²	146.9	92%	0.916	82%	0.821	S	S	*	*			trans	-154.2	170.2	141.1	76.1	0	0	0	0	111.2
131	R	24	Very low	27.2	Very low	247 Å²	247	148.3 Å²	148.3	93%	0.932	82%	0.817	S	S	*	*			trans	-142.2	120.1	-161.8	178.6	-172.6	-173.8	-173.7	3.3	110.8
132	A	26.3	Very low	27.4	Very low	104 Å²	104	150.1 Å²	150.1	86%	0.86	83%	0.825	S	S	*	*			trans	-139.1	160.4	173	0	0	0	0	0	111
133	K	26.1	Very low	27.5	Very low	205 Å²	205	148.2 Å²	148.2	89%	0.891	82%	0.816	S	S	*	*			trans	-99.1	158	-167.3	-63.5	177.9	179.5	176.5	0	113.2
134	F	26	Very low	27.8	Very low	211 Å²	211	149.6 Å²	149.6	93%	0.925	82%	0.824	S	S	*	*			trans	-69.1	145.6	161.9	-71.9	-96.3	0	0	0	111.3
135	P	28.2	Very low	28.2	Very low	116 Å²	116	147.3 Å²	147.3	75%	0.753	82%	0.82	S	S	*	*			trans	-105.9	151.4	142.2	15.4	3.4	0	0	0	110.7
136	E	25.5	Very low	28.4	Very low	195 Å²	195	148 Å²	148	91%	0.911	82%	0.822	S	S	*	*			trans	-77.4	152.4	169.3	-59.6	179.9	139.6	0	0	110.8
137	A	30.4	Very low	29	Very low	100 Å²	100	152.6 Å²	152.6	83%	0.826	82%	0.822	S	S	*	*			trans	-133.6	124.7	172	0	0	0	0	0	110.1
138	K	27.5	Very low	29.9	Very low	193 Å²	193	151.7 Å²	151.7	84%	0.839	80%	0.798	S	S	*	*			trans	-86.9	148.4	176.4	-65.5	-179.6	179.5	178.2	0	110.8
139	S	29.2	Very low	30.5	Very low	98 Å²	98	150 Å²	150	69%	0.685	80%	0.796	S	S	*	*	S	Bend	trans	39.3	128.6	150.1	59.9	0	0	0	0	120.7
140	N	27.5	Very low	31.4	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	77%	0.771	S	S	*	*			trans	66.8	90.2	148.9	-56.8	-10.1	0	0	0	117.7
141	D	30.6	Very low	32.1	Very low	118 Å²	118	150.2 Å²	150.2	63%	0.631	77%	0.77	S	S	*	*			trans	-152.4	140.1	141.1	-150.7	-5.5	0	0	0	112	K143	D141-K143 VanDerWaalsContact C-N 3.34Å; D141-K143 PolarHBondContact O-N 2.73Å; D141-K143 WeakPolarHBondContact OD2-CE 3.37Å; D141-K143 IonicContact OD2-NZ 3.86Å; D141-K143 PolarHBondContact OD2-NZ 3.3Å
142	K	29.9	Very low	33.1	Very low	207 Å²	207	148.4 Å²	148.4	90%	0.9	77%	0.77	S	S	*	*			trans	-85.7	68.6	-175.8	-72.7	-176.7	179.6	176.5	0	111.4
143	K	28.6	Very low	34.3	Very low	164 Å²	164	149.7 Å²	149.7	71%	0.713	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-92.1	116.8	-178.8	-77	173.1	172.9	138.7	0	112.7	D141	D141-K143 VanDerWaalsContact C-N 3.34Å; D141-K143 PolarHBondContact O-N 2.73Å; D141-K143 WeakPolarHBondContact OD2-CE 3.37Å; D141-K143 IonicContact OD2-NZ 3.86Å; D141-K143 PolarHBondContact OD2-NZ 3.3Å
144	V	30.6	Very low	35.7	Very low	139 Å²	139	146 Å²	146	84%	0.842	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-56.4	134.1	170.9	-179.8	0	0	0	0	109.4
145	L	34.6	Very low	37.9	Very low	152 Å²	152	138.3 Å²	138.3	80%	0.796	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-70	133.7	177.3	-75.2	166.7	0	0	0	110.2
146	P	32.7	Very low	40.8	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-65.5	135.5	179.2	-19.7	31.9	0	0	0	112
147	E	39.4	Very low	44	Very low	175 Å²	175	132.1 Å²	132.1	82%	0.818	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-62.3	140	175.7	-66.8	-173.5	122.4	0	0	112	T149	E147-T149 PolarHBondContact O-N 3.07Å
148	F	45.7	Very low	47	Very low	53 Å²	53	128.8 Å²	128.8	23%	0.232	67%	0.672	C	S	.	*			trans	-75.3	89.2	179.7	178.7	-109.1	0	0	0	111.3	G150 R200 F201	F148-G150 VanDerWaalsContact C-N 3.34Å; F148-G150 PolarHBondContact O-N 2.82Å; F148-R200 HydrophobicContact CD2-CB 3.83Å; F148-R200 WeakPolarHBondContact CD2-O 3.33Å; F148-R200 HydrophobicContact CE2-CB 3.59Å; F148-F201 HydrophobicContact CE1-CD2 4.44Å
149	T	41.3	Very low	50.2	Low	134 Å²	134	126.8 Å²	126.8	82%	0.822	66%	0.663	S	S	*	*			trans	-67.4	91.6	165.6	41.2	0	0	0	0	110.1	E147	E147-T149 PolarHBondContact O-N 3.07Å
150	G	43.7	Very low	53.4	Low	27 Å²	27	123.6 Å²	123.6	28%	0.278	64%	0.637	S	S	.	*			trans	-58.7	154.4	176.3	0	0	0	0	0	112.8	F148 K152	F148-G150 VanDerWaalsContact C-N 3.34Å; F148-G150 PolarHBondContact O-N 2.82Å; G150-K152 PolarHBondContact O-N 2.75Å
151	R	47.1	Very low	56.7	Low	237 Å²	237	117.5 Å²	117.5	89%	0.894	60%	0.603	S	S	*	*			trans	-59.5	126	173.8	-81.3	-179.5	166.4	174.1	-5.5	109.6	N153	R151-N153 PolarHBondContact O-N 3.01Å
152	K	44.9	Very low	59.9	Low	210 Å²	210	115 Å²	115	91%	0.913	59%	0.587	S	S	*	*			trans	-68.4	69	174.1	-69.4	-174.2	175	-176.9	0	112.3	G150	G150-K152 PolarHBondContact O-N 2.75Å
153	N	50.8	Low	63.1	Low	131 Å²	131	105.3 Å²	105.3	70%	0.701	55%	0.545	S	S	*	.			trans	-83.4	116.4	156.7	-89.6	15.3	0	0	0	107.8	R151 G155	R151-N153 PolarHBondContact O-N 3.01Å; N153-G155 PolarHBondContact O-N 3.27Å
154	S	54.7	Low	66.3	Low	126 Å²	126	100 Å²	100	88%	0.881	53%	0.527	S	S	*	.			trans	-84.7	94.4	-160.8	55.8	0	0	0	0	113.2
155	G	72.2	Confident	69.4	Low	50 Å²	50	96.7 Å²	96.7	52%	0.515	52%	0.521	S	S	.	.			trans	-158	137.7	168.1	0	0	0	0	0	111.6	N153 C157 Y175	N153-G155 PolarHBondContact O-N 3.27Å; G155-C157 PolarHBondContact O-N 3.07Å; G155-Y175 WeakPolarHBondContact O-CD1 3.43Å
156	K	89.3	Confident	72.4	Confident	168 Å²	168	90.7 Å²	90.7	73%	0.73	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-63	130.6	169.7	-173.4	174.6	-177.7	175	0	108.5
157	C	94	Very high	75.4	Confident	13 Å²	13	85.6 Å²	85.6	9%	0.088	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-58.4	128.3	175.7	-175.8	0	0	0	0	109.2	G155 F162 Y175 L178	G155-C157 PolarHBondContact O-N 3.07Å; C157-F162 HydrophobicContact CB-CE2 3.67Å; C157-F162 HydrophobicContact CB-CZ 3.86Å; C157-F162 WeakPolarHBondContact SG-CE2 3.3Å; C157-Y175 HydrophobicContact CB-CD1 4.14Å; C157-Y175 HydrophobicContact CB-CD2 3.75Å; C157-Y175 HydrophobicContact CB-CE2 4.25Å; C157-Y175 HydrophobicContact CB-CG 3.71Å; C157-Y175 WeakPolarHBondContact SG-CD2 3.45Å; C157-L178 HydrophobicContact CB-CD1 4.11Å; C157-L178 HydrophobicContact CB-CD2 3.78Å
158	P	93.7	Very high	78.2	Confident	31 Å²	31	77.2 Å²	77.2	20%	0.201	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-71.6	144	-175.2	29.2	-35.3	0	0	0	111.1	F160 K161 F162 Y175	P158-F160 HydrophobicContact CB-CD1 3.86Å; P158-F160 HydrophobicContact CB-CE1 3.54Å; P158-F160 HydrophobicContact CB-CG 4.47Å; P158-F160 HydrophobicContact CB-CZ 3.91Å; P158-F160 HydrophobicContact CG-CD1 4.45Å; P158-F160 HydrophobicContact CG-CE1 3.98Å; P158-F160 HydrophobicContact CG-CE2 4.11Å; P158-F160 HydrophobicContact CG-CZ 3.79Å; P158-F160 PolarHBondContact O-N 2.82Å; P158-K161 HydrophobicContact CG-CD 4Å; P158-K161 HydrophobicContact CG-CG 4.18Å; P158-K161 PolarHBondContact O-N 3.14Å; P158-F162 WeakPolarHBondContact O-CD2 3.43Å; P158-Y175 VanDerWaalsContact CD-CZ 3.42Å; P158-Y175 VanDerWaalsContact CD-OH 3.24Å; P158-Y175 WeakPolarHBondContact CD-OH 3.36Å
159	F	94.4	Very high	80.7	Confident	151 Å²	151	74.7 Å²	74.7	66%	0.662	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-53.9	-32.8	-175.6	77.6	-87	0	0	0	113.4	K161 F162 I465	F159-K161 PolarHBondContact O-N 3.36Å; F159-K161 VanDerWaalsContact O-N 3.11Å; F159-F162 PolarHBondContact O-N 2.9Å; F159-F162 VanDerWaalsContact O-N 3.09Å; F159-I465 HydrophobicContact CE2-CG2 3.98Å
160	F	94.9	Very high	83.4	Confident	31 Å²	31	68.3 Å²	68.3	14%	0.136	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-71.4	-0.6	-178.3	64.9	-104.2	0	0	0	114.5	P158 F294 I465 T467 T470	P158-F160 HydrophobicContact CB-CD1 3.86Å; P158-F160 HydrophobicContact CB-CE1 3.54Å; P158-F160 HydrophobicContact CB-CG 4.47Å; P158-F160 HydrophobicContact CB-CZ 3.91Å; P158-F160 HydrophobicContact CG-CD1 4.45Å; P158-F160 HydrophobicContact CG-CE1 3.98Å; P158-F160 HydrophobicContact CG-CE2 4.11Å; P158-F160 HydrophobicContact CG-CZ 3.79Å; P158-F160 PolarHBondContact O-N 2.82Å; F160-F294 VanDerWaalsContact O-CD1 3.27Å; F160-F294 WeakPolarHBondContact O-CD1 3.38Å; F160-F294 WeakPolarHBondContact O-CE1 3.22Å; F160-I465 HydrophobicContact CB-CG2 3.85Å; F160-T467 WeakPolarHBondContact CE2-O 3.39Å; F160-T470 HydrophobicContact CD1-CG2 4.45Å; F160-T470 HydrophobicContact CE1-CG2 4.28Å; F160-T470 WeakPolarHBondContact CE1-OG1 3.25Å
161	K	97.3	Very high	86	Confident	32 Å²	32	67.2 Å²	67.2	14%	0.139	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-101	-4.6	170.4	-71.8	-176.8	174.6	-71.3	0	113.8	P158 F159 V169 V170 D171 A172 Y175	P158-K161 HydrophobicContact CG-CD 4Å; P158-K161 HydrophobicContact CG-CG 4.18Å; P158-K161 PolarHBondContact O-N 3.14Å; F159-K161 PolarHBondContact O-N 3.36Å; F159-K161 VanDerWaalsContact O-N 3.11Å; K161-V169 CarbonylContact O-C 3.43Å; K161-V169 WeakPolarHBondContact O-CA 3.17Å; K161-V169 WeakPolarHBondContact O-CB 3.36Å; K161-V170 PolarHBondContact O-N 3.48Å; K161-D171 WeakPolarHBondContact CE-O 3.47Å; K161-D171 PolarHBondContact NZ-O 2.84Å; K161-A172 HydrophobicContact CB-CB 4.21Å; K161-A172 HydrophobicContact CD-CB 4.27Å; K161-Y175 HydrophobicContact CD-CE2 3.87Å
162	F	97.7	Very high	88.4	Confident	65 Å²	65	56 Å²	56	29%	0.285	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-96.1	142.1	174.5	-66.2	-99.3	0	0	0	110.2	C157 P158 F159 P164 V169 L178 I181 F294	C157-F162 HydrophobicContact CB-CE2 3.67Å; C157-F162 HydrophobicContact CB-CZ 3.86Å; C157-F162 WeakPolarHBondContact SG-CE2 3.3Å; P158-F162 WeakPolarHBondContact O-CD2 3.43Å; F159-F162 PolarHBondContact O-N 2.9Å; F159-F162 VanDerWaalsContact O-N 3.09Å; F162-P164 WeakPolarHBondContact O-CD 3.36Å; F162-V169 HydrophobicContact CD1-CG1 3.67Å; F162-V169 HydrophobicContact CE1-CG1 3.92Å; F162-V169 HydrophobicContact CG-CG1 4.13Å; F162-L178 HydrophobicContact CE1-CD1 4.32Å; F162-L178 HydrophobicContact CZ-CD1 4.08Å; F162-I181 HydrophobicContact CD1-CD1 3.86Å; F162-I181 HydrophobicContact CD1-CG1 4.41Å; F162-I181 HydrophobicContact CE1-CD1 3.91Å; F162-I181 HydrophobicContact CE1-CG1 4Å; F162-F294 WeakPolarHBondContact O-CZ 3.22Å
163	I	98	Very high	90.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	27%	0.271	C	S	.	.			trans	-94.8	112.1	172	-58.3	-59	0	0	0	108.9	T166 C168 V170 F259 I267 H269	I163-T166 WeakPolarHBondContact CB-OG1 3.49Å; I163-T166 HydrophobicContact CG2-CG2 3.87Å; I163-T166 PolarHBondContact O-N 2.99Å; I163-T166 PolarHBondContact O-OG1 2.92Å; I163-C168 HydrophobicContact CB-CB 4.27Å; I163-C168 HydrophobicContact CG1-CB 4.31Å; I163-C168 PolarHBondContact N-O 2.76Å; I163-C168 VanDerWaalsContact N-O 3.1Å; I163-V170 HydrophobicContact CD1-CG2 3.84Å; I163-V170 HydrophobicContact CG1-CG2 3.97Å; I163-F259 HydrophobicContact CD1-CD2 3.99Å; I163-F259 HydrophobicContact CD1-CE2 3.73Å; I163-F259 HydrophobicContact CD1-CZ 4.44Å; I163-F259 HydrophobicContact CG1-CD2 4.04Å; I163-F259 HydrophobicContact CG1-CE1 4.5Å; I163-F259 HydrophobicContact CG1-CE2 3.72Å; I163-F259 HydrophobicContact CG1-CZ 3.98Å; I163-F259 HydrophobicContact CG2-CB 4.14Å; I163-F259 HydrophobicContact CG2-CD1 4.41Å; I163-F259 HydrophobicContact CG2-CD2 4Å; I163-F259 HydrophobicContact CG2-CG 3.94Å; I163-I267 HydrophobicContact CD1-CG2 4.47Å; I163-I267 HydrophobicContact CG2-CD1 4.15Å; I163-I267 HydrophobicContact CG2-CG2 4.36Å; I163-H269 HydrophobicContact CD1-CB 4.37Å
164	P	96.1	Very high	93.1	Very high	53 Å²	53	44.1 Å²	44.1	34%	0.344	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	138.7	-177.3	-28.8	34.6	0	0	0	113.6	F162 T166 I267 F294	F162-P164 WeakPolarHBondContact O-CD 3.36Å; P164-T166 VanDerWaalsContact C-N 3.26Å; P164-T166 PolarHBondContact O-N 3.33Å; P164-I267 HydrophobicContact CB-CD1 4.19Å; P164-I267 HydrophobicContact CG-CD1 4.37Å; P164-F294 HydrophobicContact CG-CZ 4.26Å
165	G	94.9	Very high	95	Very high	70 Å²	70	40.9 Å²	40.9	72%	0.722	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	8	177	0	0	0	0	0	115.7
166	T	96.7	Very high	95.8	Very high	26 Å²	26	38.9 Å²	38.9	16%	0.16	21%	0.207	C	C	.	.	S	Bend	trans	-130.4	170.7	179.9	78.1	0	0	0	0	111.3	I163 P164 C168 T241 T261	I163-T166 WeakPolarHBondContact CB-OG1 3.49Å; I163-T166 HydrophobicContact CG2-CG2 3.87Å; I163-T166 PolarHBondContact O-N 2.99Å; I163-T166 PolarHBondContact O-OG1 2.92Å; P164-T166 VanDerWaalsContact C-N 3.26Å; P164-T166 PolarHBondContact O-N 3.33Å; T166-C168 VanDerWaalsContact C-N 3.3Å; T166-C168 WeakPolarHBondContact OG1-CB 3.37Å; T166-C168 PolarHBondContact OG1-N 3.43Å; T166-C168 VanDerWaalsContact OG1-N 3.14Å; T166-T241 HydrophobicContact CG2-CG2 3.77Å; T166-T241 WeakPolarHBondContact CG2-OG1 3.22Å; T166-T261 HydrophobicContact CG2-CG2 3.81Å
167	S	97	Very high	95.9	Very high	11 Å²	11	36.8 Å²	36.8	8%	0.077	20%	0.195	C	C	.	.	S	Bend	trans	-93.8	24.8	170.2	65.4	0	0	0	0	113.3	I181 Q182 M183 D239	S167-I181 WeakPolarHBondContact O-CG2 3.4Å; S167-Q182 PolarHBondContact O-N 3.06Å; S167-M183 PolarHBondContact O-N 2.96Å; S167-M183 VanDerWaalsContact OG-CE 3.22Å; S167-M183 WeakPolarHBondContact OG-CE 3.48Å; S167-D239 WeakPolarHBondContact CB-OD2 3.34Å; S167-D239 PolarHBondContact N-OD2 2.86Å; S167-D239 WeakPolarHBondContact OG-CB 3.31Å; S167-D239 PolarHBondContact OG-OD2 2.91Å
168	C	98.2	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144	-174.2	-53.9	0	0	0	0	113.1	I163 T166 M183 F185 F259	I163-C168 HydrophobicContact CB-CB 4.27Å; I163-C168 HydrophobicContact CG1-CB 4.31Å; I163-C168 PolarHBondContact N-O 2.76Å; I163-C168 VanDerWaalsContact N-O 3.1Å; T166-C168 VanDerWaalsContact C-N 3.3Å; T166-C168 WeakPolarHBondContact OG1-CB 3.37Å; T166-C168 PolarHBondContact OG1-N 3.43Å; T166-C168 VanDerWaalsContact OG1-N 3.14Å; C168-M183 WeakPolarHBondContact CA-O 3.32Å; C168-M183 VanDerWaalsContact SG-CE 3.56Å; C168-F185 HydrophobicContact CB-CD2 4.08Å; C168-F185 HydrophobicContact CB-CE2 3.87Å; C168-F259 HydrophobicContact CB-CE1 4.19Å
169	V	98.2	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151	166.3	-64.5	0	0	0	0	111.2	K161 F162 A172 L178 I181 M183 Y184 F185	K161-V169 CarbonylContact O-C 3.43Å; K161-V169 WeakPolarHBondContact O-CA 3.17Å; K161-V169 WeakPolarHBondContact O-CB 3.36Å; F162-V169 HydrophobicContact CD1-CG1 3.67Å; F162-V169 HydrophobicContact CE1-CG1 3.92Å; F162-V169 HydrophobicContact CG-CG1 4.13Å; V169-A172 HydrophobicContact CB-CB 3.76Å; V169-A172 HydrophobicContact CG2-CB 3.69Å; V169-L178 HydrophobicContact CG1-CD1 3.98Å; V169-L178 HydrophobicContact CG2-CD1 4.44Å; V169-I181 HydrophobicContact CB-CG2 4.36Å; V169-I181 HydrophobicContact CG1-CB 4.46Å; V169-I181 HydrophobicContact CG1-CD1 3.74Å; V169-I181 HydrophobicContact CG1-CG1 3.73Å; V169-I181 HydrophobicContact CG1-CG2 3.89Å; V169-I181 HydrophobicContact CG2-CG2 3.71Å; V169-M183 PolarHBondContact N-O 3.22Å; V169-M183 VanDerWaalsContact N-O 3.13Å; V169-Y184 HydrophobicContact CG2-CD1 3.41Å; V169-Y184 VanDerWaalsContact CG2-CD1 3.41Å; V169-Y184 HydrophobicContact CG2-CE1 3.73Å; V169-Y184 HydrophobicContact CG2-CG 3.87Å; V169-F185 WeakPolarHBondContact O-CB 3.49Å; V169-F185 PolarHBondContact O-N 3.35Å
170	V	98.6	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.5	176.6	-167	0	0	0	0	110.5	K161 I163 A172 F185 F257 F259 H269	K161-V170 PolarHBondContact O-N 3.48Å; I163-V170 HydrophobicContact CD1-CG2 3.84Å; I163-V170 HydrophobicContact CG1-CG2 3.97Å; V170-A172 PolarHBondContact O-N 3.37Å; V170-A172 VanDerWaalsContact O-N 3.13Å; V170-F185 HydrophobicContact CB-CB 4.39Å; V170-F185 HydrophobicContact CG1-CB 4.24Å; V170-F185 HydrophobicContact CG2-CB 4.07Å; V170-F257 HydrophobicContact CG1-CD2 4.23Å; V170-F257 HydrophobicContact CG1-CE2 4.12Å; V170-F259 HydrophobicContact CG2-CE2 4.21Å; V170-F259 HydrophobicContact CG2-CZ 4.19Å; V170-H269 VanDerWaalsContact CG1-CE1 3.48Å; V170-H269 WeakPolarHBondContact CG1-CE1 3.01Å; V170-H269 HydrophobicContact CG2-CB 4.48Å
171	D	98.4	Very high	95.5	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	52.4	37.1	174.7	-55.8	-24.8	0	0	0	113.3	K161 F185 L186 S187 H193	K161-D171 WeakPolarHBondContact CE-O 3.47Å; K161-D171 PolarHBondContact NZ-O 2.84Å; D171-F185 PolarHBondContact N-O 3.48Å; D171-L186 WeakPolarHBondContact OD1-CA 3.38Å; D171-S187 PolarHBondContact OD1-N 3.22Å; D171-S187 PolarHBondContact OD1-OG 3.19Å; D171-S187 WeakPolarHBondContact OD2-CB 2.98Å; D171-S187 PolarHBondContact OD2-OG 3.43Å; D171-H193 HydrophobicContact CB-CB 4.09Å; D171-H193 IonicContact OD2-CE1 2.75Å; D171-H193 IonicContact OD2-CG 3.02Å; D171-H193 IonicContact OD2-ND1 3.93Å; D171-H193 PolarHBondContact OD2-ND1 2.9Å
172	A	97.6	Very high	95.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.			trans	-105.9	16.4	-169.7	0	0	0	0	0	114.4	K161 V169 V170 M174 Y175 L178	K161-A172 HydrophobicContact CB-CB 4.21Å; K161-A172 HydrophobicContact CD-CB 4.27Å; V169-A172 HydrophobicContact CB-CB 3.76Å; V169-A172 HydrophobicContact CG2-CB 3.69Å; V170-A172 PolarHBondContact O-N 3.37Å; V170-A172 VanDerWaalsContact O-N 3.13Å; A172-M174 PolarHBondContact O-N 2.98Å; A172-M174 VanDerWaalsContact O-N 3.12Å; A172-Y175 HydrophobicContact CB-CD2 4.32Å; A172-Y175 VanDerWaalsContact O-CD2 3.3Å; A172-Y175 WeakPolarHBondContact O-CD2 3.46Å; A172-Y175 PolarHBondContact O-N 2.97Å; A172-L178 HydrophobicContact CB-CD1 4.3Å
173	F	97.4	Very high	95.5	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-66.2	-19.8	-167.9	-56.3	-82.5	0	0	0	114.5	Y175 G176 Y184 F185 L186 H193 S195 L197 F201 I205	F173-Y175 PolarHBondContact O-N 3.17Å; F173-G176 PolarHBondContact O-N 3.26Å; F173-Y184 HydrophobicContact CD1-CD1 4.1Å; F173-Y184 HydrophobicContact CD1-CG 4.46Å; F173-Y184 HydrophobicContact CE1-CD1 4.1Å; F173-Y184 HydrophobicContact CE1-CG 4.07Å; F173-F185 WeakPolarHBondContact CE2-O 3.42Å; F173-F185 WeakPolarHBondContact CZ-O 3.33Å; F173-L186 HydrophobicContact CD2-CD1 4.22Å; F173-L186 HydrophobicContact CE2-CB 3.77Å; F173-L186 HydrophobicContact CE2-CD1 3.67Å; F173-L186 HydrophobicContact CE2-CG 4.24Å; F173-L186 HydrophobicContact CZ-CB 3.83Å; F173-H193 WeakPolarHBondContact CD2-O 3.42Å; F173-S195 CarbonylContact C-O 3.56Å; F173-S195 WeakPolarHBondContact CB-O 3.27Å; F173-L197 HydrophobicContact CB-CD2 4.27Å; F173-L197 HydrophobicContact CB-CG 3.84Å; F173-L197 HydrophobicContact CD1-CD1 3.91Å; F173-L197 HydrophobicContact CD1-CD2 3.3Å; F173-L197 HydrophobicContact CD1-CG 3.48Å; F173-L197 VanDerWaalsContact CD1-CG 3.48Å; F173-L197 HydrophobicContact CD2-CD1 4.25Å; F173-L197 HydrophobicContact CD2-CG 4.22Å; F173-L197 HydrophobicContact CE1-CD1 3.97Å; F173-L197 HydrophobicContact CE1-CD2 3.79Å; F173-L197 HydrophobicContact CE1-CG 4.04Å; F173-L197 HydrophobicContact CE2-CD1 4.35Å; F173-L197 HydrophobicContact CG-CD1 4.03Å; F173-L197 HydrophobicContact CG-CD2 3.92Å; F173-L197 HydrophobicContact CG-CG 3.56Å; F173-L197 HydrophobicContact CZ-CD1 4.22Å; F173-F201 HydrophobicContact CD1-CE1 4.25Å; F173-F201 AromaticContact CD1-CE2 3.98Å; F173-F201 HydrophobicContact CD1-CE2 3.98Å; F173-F201 AromaticContact CD1-CZ 3.73Å; F173-F201 HydrophobicContact CD1-CZ 3.73Å; F173-F201 HydrophobicContact CE1-CE1 4.26Å; F173-F201 HydrophobicContact CE1-CZ 4.06Å; F173-I205 HydrophobicContact CE1-CD1 4.35Å; F173-I205 HydrophobicContact CE1-CG1 4.16Å; F173-I205 HydrophobicContact CE1-CG2 4.21Å; F173-I205 HydrophobicContact CZ-CG2 4.07Å
174	M	95.4	Very high	95.5	Very high	88 Å²	88	40.6 Å²	40.6	43%	0.433	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-73.9	-16.7	-176.1	70.7	-177.6	-64.2	0	0	113.4	A172 S195	A172-M174 PolarHBondContact O-N 2.98Å; A172-M174 VanDerWaalsContact O-N 3.12Å; M174-S195 WeakPolarHBondContact CA-O 3.48Å; M174-S195 WeakPolarHBondContact CB-O 3.36Å; M174-S195 PolarHBondContact N-O 2.89Å
175	Y	94.4	Very high	95.6	Very high	58 Å²	58	38 Å²	38	23%	0.227	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-91	-1.8	179.9	-50.1	-73.9	0	0	0	112.8	G155 C157 P158 K161 A172 F173	G155-Y175 WeakPolarHBondContact O-CD1 3.43Å; C157-Y175 HydrophobicContact CB-CD1 4.14Å; C157-Y175 HydrophobicContact CB-CD2 3.75Å; C157-Y175 HydrophobicContact CB-CE2 4.25Å; C157-Y175 HydrophobicContact CB-CG 3.71Å; C157-Y175 WeakPolarHBondContact SG-CD2 3.45Å; P158-Y175 VanDerWaalsContact CD-CZ 3.42Å; P158-Y175 VanDerWaalsContact CD-OH 3.24Å; P158-Y175 WeakPolarHBondContact CD-OH 3.36Å; K161-Y175 HydrophobicContact CD-CE2 3.87Å; A172-Y175 HydrophobicContact CB-CD2 4.32Å; A172-Y175 VanDerWaalsContact O-CD2 3.3Å; A172-Y175 WeakPolarHBondContact O-CD2 3.46Å; A172-Y175 PolarHBondContact O-N 2.97Å; F173-Y175 PolarHBondContact O-N 3.17Å
176	G	89.4	Confident	95.8	Very high	8 Å²	8	34.7 Å²	34.7	8%	0.082	17%	0.17	C	C	.	.			trans	73.2	-135.1	178	0	0	0	0	0	112.9	F173 Y184	F173-G176 PolarHBondContact O-N 3.26Å; G176-Y184 PolarHBondContact O-OH 3.36Å
177	Y	90.8	Very high	95.9	Very high	125 Å²	125	33.5 Å²	33.5	49%	0.49	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-79.1	120.7	174.8	174.5	-92.5	0	0	0	110.5	P179 M203	Y177-P179 HydrophobicContact CE1-CB 4.48Å; Y177-P179 HydrophobicContact CE1-CG 4.17Å; Y177-M203 HydrophobicContact CD2-SD 4.4Å; Y177-M203 HydrophobicContact CE2-CE 4.47Å
178	L	94.2	Very high	96	Very high	18 Å²	18	33 Å²	33	9%	0.094	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-100.3	122	172.3	-63	175.1	0	0	0	109.8	C157 F162 V169 A172 I181 Y184	C157-L178 HydrophobicContact CB-CD1 4.11Å; C157-L178 HydrophobicContact CB-CD2 3.78Å; F162-L178 HydrophobicContact CE1-CD1 4.32Å; F162-L178 HydrophobicContact CZ-CD1 4.08Å; V169-L178 HydrophobicContact CG1-CD1 3.98Å; V169-L178 HydrophobicContact CG2-CD1 4.44Å; A172-L178 HydrophobicContact CB-CD1 4.3Å; L178-I181 HydrophobicContact CB-CB 4Å; L178-I181 HydrophobicContact CB-CG1 3.68Å; L178-I181 HydrophobicContact CD1-CG1 4.43Å; L178-I181 WeakPolarHBondContact O-CB 3.49Å; L178-I181 PolarHBondContact O-N 2.88Å; L178-Y184 HydrophobicContact CD1-CE1 4.49Å; L178-Y184 PolarHBondContact N-OH 3.46Å
179	P	89.4	Confident	96	Very high	89 Å²	89	33 Å²	33	58%	0.578	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	148.9	172.1	-25.9	34.9	0	0	0	111.9	Y177 I181	Y177-P179 HydrophobicContact CE1-CB 4.48Å; Y177-P179 HydrophobicContact CE1-CG 4.17Å; P179-I181 PolarHBondContact O-N 2.92Å; P179-I181 VanDerWaalsContact O-N 3.11Å
180	Q	90.4	Very high	95.9	Very high	179 Å²	179	34.4 Å²	34.4	84%	0.836	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	-11.5	-176	-47.9	173.9	12.6	0	0	115.6
181	I	96.4	Very high	95.7	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.056	19%	0.189	C	C	.	.			trans	-91.3	122	-179.6	-57.6	-50.7	0	0	0	111.1	F162 S167 V169 L178 P179 Y184 M203	F162-I181 HydrophobicContact CD1-CD1 3.86Å; F162-I181 HydrophobicContact CD1-CG1 4.41Å; F162-I181 HydrophobicContact CE1-CD1 3.91Å; F162-I181 HydrophobicContact CE1-CG1 4Å; S167-I181 WeakPolarHBondContact O-CG2 3.4Å; V169-I181 HydrophobicContact CB-CG2 4.36Å; V169-I181 HydrophobicContact CG1-CB 4.46Å; V169-I181 HydrophobicContact CG1-CD1 3.74Å; V169-I181 HydrophobicContact CG1-CG1 3.73Å; V169-I181 HydrophobicContact CG1-CG2 3.89Å; V169-I181 HydrophobicContact CG2-CG2 3.71Å; L178-I181 HydrophobicContact CB-CB 4Å; L178-I181 HydrophobicContact CB-CG1 3.68Å; L178-I181 HydrophobicContact CD1-CG1 4.43Å; L178-I181 WeakPolarHBondContact O-CB 3.49Å; L178-I181 PolarHBondContact O-N 2.88Å; P179-I181 PolarHBondContact O-N 2.92Å; P179-I181 VanDerWaalsContact O-N 3.11Å; I181-Y184 HydrophobicContact CG2-CD2 4.25Å; I181-Y184 HydrophobicContact CG2-CE1 4.41Å; I181-Y184 HydrophobicContact CG2-CE2 3.74Å; I181-M203 WeakPolarHBondContact O-CE 3.42Å
182	Q	96.3	Very high	95.5	Very high	105 Å²	105	42.3 Å²	42.3	49%	0.491	21%	0.214	S	C	.	.			trans	-99.6	-25.4	179.1	-58.5	-178	29.9	0	0	111.8	S167 P204	S167-Q182 PolarHBondContact O-N 3.06Å; Q182-P204 WeakPolarHBondContact O-CD 3.46Å
183	M	97.5	Very high	95.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.7	-167.6	-60.6	176.5	-85.5	0	0	111.7	S167 C168 V169 F185 Y206 L237 P238 D239	S167-M183 PolarHBondContact O-N 2.96Å; S167-M183 VanDerWaalsContact OG-CE 3.22Å; S167-M183 WeakPolarHBondContact OG-CE 3.48Å; C168-M183 WeakPolarHBondContact CA-O 3.32Å; C168-M183 VanDerWaalsContact SG-CE 3.56Å; V169-M183 PolarHBondContact N-O 3.22Å; V169-M183 VanDerWaalsContact N-O 3.13Å; M183-F185 HydrophobicContact CB-CE2 3.95Å; M183-Y206 HydrophobicContact CB-CD2 4.14Å; M183-Y206 HydrophobicContact CB-CE2 3.97Å; M183-Y206 HydrophobicContact CG-CD2 4.41Å; M183-Y206 HydrophobicContact CG-CE2 3.74Å; M183-Y206 HydrophobicContact SD-CE2 3.86Å; M183-L237 HydrophobicContact CE-CB 3.94Å; M183-L237 HydrophobicContact CE-CD1 4.17Å; M183-L237 HydrophobicContact SD-CB 3.72Å; M183-L237 HydrophobicContact SD-CD1 3.99Å; M183-L237 HydrophobicContact SD-CD2 4Å; M183-L237 HydrophobicContact SD-CG 4.12Å; M183-P238 HydrophobicContact SD-CG 4.43Å; M183-D239 HydrophobicContact CE-CB 3.95Å; M183-D239 VanDerWaalsContact CE-CG 3.41Å; M183-D239 WeakPolarHBondContact CE-OD2 3.48Å
184	Y	98.5	Very high	95.5	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.8	177.5	-64.2	-110	0	0	0	108.6	V169 F173 G176 L178 I181 F201 M203 P204 I205 Y206	V169-Y184 HydrophobicContact CG2-CD1 3.41Å; V169-Y184 VanDerWaalsContact CG2-CD1 3.41Å; V169-Y184 HydrophobicContact CG2-CE1 3.73Å; V169-Y184 HydrophobicContact CG2-CG 3.87Å; F173-Y184 HydrophobicContact CD1-CD1 4.1Å; F173-Y184 HydrophobicContact CD1-CG 4.46Å; F173-Y184 HydrophobicContact CE1-CD1 4.1Å; F173-Y184 HydrophobicContact CE1-CG 4.07Å; G176-Y184 PolarHBondContact O-OH 3.36Å; L178-Y184 HydrophobicContact CD1-CE1 4.49Å; L178-Y184 PolarHBondContact N-OH 3.46Å; I181-Y184 HydrophobicContact CG2-CD2 4.25Å; I181-Y184 HydrophobicContact CG2-CE1 4.41Å; I181-Y184 HydrophobicContact CG2-CE2 3.74Å; Y184-F201 AromaticContact CD1-CZ 3.89Å; Y184-F201 HydrophobicContact CD1-CZ 3.89Å; Y184-F201 HydrophobicContact CD2-CE1 4.47Å; Y184-F201 AromaticContact CD2-CZ 3.98Å; Y184-F201 HydrophobicContact CD2-CZ 3.98Å; Y184-F201 HydrophobicContact CE1-CZ 4.18Å; Y184-F201 HydrophobicContact CE2-CZ 4.3Å; Y184-F201 HydrophobicContact CG-CE1 4.44Å; Y184-F201 AromaticContact CG-CZ 3.82Å; Y184-F201 HydrophobicContact CG-CZ 3.82Å; Y184-M203 HydrophobicContact CD2-CB 3.68Å; Y184-M203 HydrophobicContact CD2-CG 4.32Å; Y184-M203 HydrophobicContact CE2-CB 3.68Å; Y184-M203 HydrophobicContact CE2-CE 4.16Å; Y184-M203 HydrophobicContact CE2-CG 3.79Å; Y184-P204 PolarHBondContact N-O 3.26Å; Y184-I205 CarbonylContact O-C 3.6Å; Y184-I205 VanDerWaalsContact O-CA 3.25Å; Y184-I205 WeakPolarHBondContact O-CA 3.4Å; Y184-Y206 PolarHBondContact O-N 2.99Å
185	F	98.8	Very high	95.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.2	178.6	-75	-107.9	0	0	0	108.9	C168 V169 V170 D171 F173 M183 Y206 L229 L237 V243 F257 F259	C168-F185 HydrophobicContact CB-CD2 4.08Å; C168-F185 HydrophobicContact CB-CE2 3.87Å; V169-F185 WeakPolarHBondContact O-CB 3.49Å; V169-F185 PolarHBondContact O-N 3.35Å; V170-F185 HydrophobicContact CB-CB 4.39Å; V170-F185 HydrophobicContact CG1-CB 4.24Å; V170-F185 HydrophobicContact CG2-CB 4.07Å; D171-F185 PolarHBondContact N-O 3.48Å; F173-F185 WeakPolarHBondContact CE2-O 3.42Å; F173-F185 WeakPolarHBondContact CZ-O 3.33Å; M183-F185 HydrophobicContact CB-CE2 3.95Å; F185-Y206 WeakPolarHBondContact CA-O 3.41Å; F185-Y206 VanDerWaalsContact CE1-CB 3.4Å; F185-Y206 AromaticContact CE1-CG 3.98Å; F185-Y206 HydrophobicContact CE1-CG 3.98Å; F185-Y206 HydrophobicContact CE2-CD2 4.03Å; F185-Y206 HydrophobicContact CE2-CG 4.19Å; F185-Y206 HydrophobicContact CZ-CD1 4.32Å; F185-Y206 AromaticContact CZ-CD2 4Å; F185-Y206 HydrophobicContact CZ-CD2 4Å; F185-Y206 AromaticContact CZ-CG 3.73Å; F185-Y206 HydrophobicContact CZ-CG 3.73Å; F185-L229 HydrophobicContact CD1-CD1 4.43Å; F185-L229 HydrophobicContact CE1-CD1 3.96Å; F185-L237 HydrophobicContact CE2-CD1 4.26Å; F185-L237 HydrophobicContact CZ-CD1 3.67Å; F185-L237 HydrophobicContact CZ-CD2 4.07Å; F185-V243 HydrophobicContact CE1-CG1 4.19Å; F185-V243 HydrophobicContact CE1-CG2 3.98Å; F185-V243 HydrophobicContact CZ-CG1 4.41Å; F185-F257 HydrophobicContact CB-CD2 4.32Å; F185-F257 HydrophobicContact CB-CE2 3.85Å; F185-F257 HydrophobicContact CB-CZ 4.21Å; F185-F257 HydrophobicContact CD1-CD1 4.04Å; F185-F257 HydrophobicContact CD1-CD2 4.21Å; F185-F257 AromaticContact CD1-CE1 3.92Å; F185-F257 HydrophobicContact CD1-CE1 3.92Å; F185-F257 HydrophobicContact CD1-CE2 4.1Å; F185-F257 HydrophobicContact CD1-CG 4.18Å; F185-F257 AromaticContact CD1-CZ 3.95Å; F185-F257 HydrophobicContact CD1-CZ 3.95Å; F185-F257 HydrophobicContact CG-CE2 4.47Å; F185-F259 HydrophobicContact CD1-CE1 4.06Å; F185-F259 AromaticContact CD1-CZ 3.82Å; F185-F259 HydrophobicContact CD1-CZ 3.82Å; F185-F259 HydrophobicContact CD2-CE1 4.22Å; F185-F259 HydrophobicContact CD2-CZ 4.21Å; F185-F259 AromaticContact CE1-CE1 3.71Å; F185-F259 HydrophobicContact CE1-CE1 3.71Å; F185-F259 AromaticContact CE1-CZ 3.96Å; F185-F259 HydrophobicContact CE1-CZ 3.96Å; F185-F259 AromaticContact CE2-CE1 3.91Å; F185-F259 HydrophobicContact CE2-CE1 3.91Å; F185-F259 HydrophobicContact CE2-CZ 4.36Å; F185-F259 HydrophobicContact CG-CE1 4.32Å; F185-F259 AromaticContact CG-CZ 3.98Å; F185-F259 HydrophobicContact CG-CZ 3.98Å; F185-F259 AromaticContact CZ-CE1 3.67Å; F185-F259 HydrophobicContact CZ-CE1 3.67Å; F185-F259 HydrophobicContact CZ-CZ 4.27Å
186	L	98.8	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.			trans	-117.4	110.1	173.7	-177.9	63.5	0	0	0	108.8	D171 F173 H188 H193 L197 I205 Y206 C207 T211 V215	D171-L186 WeakPolarHBondContact OD1-CA 3.38Å; F173-L186 HydrophobicContact CD2-CD1 4.22Å; F173-L186 HydrophobicContact CE2-CB 3.77Å; F173-L186 HydrophobicContact CE2-CD1 3.67Å; F173-L186 HydrophobicContact CE2-CG 4.24Å; F173-L186 HydrophobicContact CZ-CB 3.83Å; L186-H188 VanDerWaalsContact CD1-O 3.25Å; L186-H188 WeakPolarHBondContact CD1-O 3.27Å; L186-H188 WeakPolarHBondContact CG-O 3.18Å; L186-H193 HydrophobicContact CD1-CB 4.28Å; L186-L197 HydrophobicContact CD2-CD1 4.01Å; L186-I205 HydrophobicContact CB-CG2 4.2Å; L186-Y206 PolarHBondContact N-O 3.25Å; L186-C207 HydrophobicContact CB-CB 4.18Å; L186-C207 VanDerWaalsContact O-CB 3.31Å; L186-C207 WeakPolarHBondContact O-CB 3.36Å; L186-T211 HydrophobicContact CB-CG2 4.35Å; L186-T211 HydrophobicContact CD2-CG2 3.56Å; L186-T211 HydrophobicContact CG-CG2 3.83Å; L186-V215 HydrophobicContact CD2-CG2 3.57Å
187	S	98.8	Very high	95.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	23%	0.231	C	C	.	.			trans	-64.7	-43.6	-177.3	61.9	0	0	0	0	111.9	D171 A254 V255	D171-S187 PolarHBondContact OD1-N 3.22Å; D171-S187 PolarHBondContact OD1-OG 3.19Å; D171-S187 WeakPolarHBondContact OD2-CB 2.98Å; D171-S187 PolarHBondContact OD2-OG 3.43Å; S187-A254 WeakPolarHBondContact O-CA 3.41Å; S187-V255 WeakPolarHBondContact O-CG2 3.44Å; S187-V255 PolarHBondContact O-N 3.05Å
188	H	98.4	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-160.2	175.1	-178.1	71.5	-74.6	0	0	0	112.2	L186 H190 H193 H250 A254 D272	L186-H188 VanDerWaalsContact CD1-O 3.25Å; L186-H188 WeakPolarHBondContact CD1-O 3.27Å; L186-H188 WeakPolarHBondContact CG-O 3.18Å; H188-H190 AromaticContact CD2-CD2 3.86Å; H188-H190 AromaticContact CD2-CG 3.51Å; H188-H190 AromaticContact CD2-ND1 3.83Å; H188-H190 WeakPolarHBondContact NE2-CB 3.4Å; H188-H190 AromaticContact NE2-CG 3.43Å; H188-H190 AromaticContact NE2-ND1 3.5Å; H188-H190 PolarHBondContact O-N 2.89Å; H188-H193 AromaticContact CE1-CD2 3.39Å; H188-H193 PolarHBondContact CE1-CD2 2.78Å; H188-H193 AromaticContact CE1-CE1 3.64Å; H188-H193 AromaticContact CE1-CG 3.34Å; H188-H193 AromaticContact CE1-ND1 3.49Å; H188-H193 PolarHBondContact CE1-ND1 2.82Å; H188-H193 AromaticContact CE1-NE2 3.65Å; H188-H193 AromaticContact ND1-CG 3.91Å; H188-H193 AromaticContact ND1-ND1 3.93Å; H188-H193 AromaticContact NE2-CD2 3.81Å; H188-H250 AromaticContact CD2-CD2 3.82Å; H188-H250 AromaticContact CD2-NE2 3.85Å; H188-H250 AromaticContact NE2-NE2 3.73Å; H188-A254 HydrophobicContact CB-CB 3.56Å; H188-D272 IonicContact CE1-OD2 2.79Å
189	F	98.1	Very high	96.3	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.253	C	S	.	.			trans	-100.2	51.5	-172.9	-166.1	-101.1	0	0	0	114.1	Y194 L214 V215 K218 L219 T338 I339	F189-Y194 HydrophobicContact CD1-CD1 4.35Å; F189-Y194 AromaticContact CD1-CE1 3.89Å; F189-Y194 HydrophobicContact CD1-CE1 3.89Å; F189-Y194 AromaticContact CD2-CD1 3.57Å; F189-Y194 HydrophobicContact CD2-CD1 3.57Å; F189-Y194 AromaticContact CD2-CE1 3.88Å; F189-Y194 HydrophobicContact CD2-CE1 3.88Å; F189-Y194 HydrophobicContact CD2-CG 4.42Å; F189-Y194 HydrophobicContact CE1-CD1 4.36Å; F189-Y194 AromaticContact CE1-CE1 3.65Å; F189-Y194 HydrophobicContact CE1-CE1 3.65Å; F189-Y194 AromaticContact CE2-CD1 3.59Å; F189-Y194 HydrophobicContact CE2-CD1 3.59Å; F189-Y194 AromaticContact CE2-CE1 3.65Å; F189-Y194 HydrophobicContact CE2-CE1 3.65Å; F189-Y194 HydrophobicContact CE2-CG 4.22Å; F189-Y194 AromaticContact CG-CD1 3.96Å; F189-Y194 HydrophobicContact CG-CD1 3.96Å; F189-Y194 AromaticContact CG-CE1 3.98Å; F189-Y194 HydrophobicContact CG-CE1 3.98Å; F189-Y194 AromaticContact CZ-CD1 3.97Å; F189-Y194 HydrophobicContact CZ-CD1 3.97Å; F189-Y194 AromaticContact CZ-CE1 3.51Å; F189-Y194 HydrophobicContact CZ-CE1 3.51Å; F189-Y194 AromaticContact CZ-CZ 3.94Å; F189-L214 HydrophobicContact CB-CB 4.26Å; F189-L214 HydrophobicContact CB-CD1 3.85Å; F189-L214 HydrophobicContact CD1-CB 3.8Å; F189-L214 HydrophobicContact CD1-CD1 4.02Å; F189-L214 HydrophobicContact CD1-CG 4.41Å; F189-L214 HydrophobicContact CD2-CB 3.93Å; F189-L214 HydrophobicContact CE1-CB 4.17Å; F189-L214 HydrophobicContact CE2-CB 4.26Å; F189-L214 HydrophobicContact CG-CB 3.7Å; F189-L214 HydrophobicContact CG-CD1 4.04Å; F189-L214 HydrophobicContact CZ-CB 4.4Å; F189-V215 HydrophobicContact CD2-CG2 3.74Å; F189-V215 HydrophobicContact CE2-CB 4.5Å; F189-V215 HydrophobicContact CE2-CG2 3.82Å; F189-K218 HydrophobicContact CE1-CB 4.18Å; F189-K218 HydrophobicContact CE1-CG 4.11Å; F189-K218 HydrophobicContact CZ-CB 3.69Å; F189-K218 HydrophobicContact CZ-CG 4.11Å; F189-L219 HydrophobicContact CE2-CD1 3.73Å; F189-L219 HydrophobicContact CE2-CD2 4.48Å; F189-L219 HydrophobicContact CE2-CG 3.83Å; F189-L219 HydrophobicContact CZ-CD1 4.29Å; F189-L219 HydrophobicContact CZ-CD2 4.22Å; F189-L219 HydrophobicContact CZ-CG 3.97Å; F189-T338 HydrophobicContact CD1-CG2 4.38Å; F189-T338 HydrophobicContact CE1-CG2 4.12Å; F189-I339 HydrophobicContact CB-CD1 3.72Å; F189-I339 HydrophobicContact CB-CG1 4.43Å
190	H	96.8	Very high	96.6	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.134	26%	0.26	C	S	.	.			trans	-102.3	154.6	164.2	-68.3	-178.4	0	0	0	112.1	H188 D192 H193 Y194 H250 Y337 I339	H188-H190 AromaticContact CD2-CD2 3.86Å; H188-H190 AromaticContact CD2-CG 3.51Å; H188-H190 AromaticContact CD2-ND1 3.83Å; H188-H190 WeakPolarHBondContact NE2-CB 3.4Å; H188-H190 AromaticContact NE2-CG 3.43Å; H188-H190 AromaticContact NE2-ND1 3.5Å; H188-H190 PolarHBondContact O-N 2.89Å; H190-D192 PolarHBondContact O-N 2.81Å; H190-H193 PolarHBondContact O-N 2.8Å; H190-H193 VanDerWaalsContact O-N 3.14Å; H190-Y194 VanDerWaalsContact C-CD1 3.43Å; H190-Y194 WeakPolarHBondContact O-CD1 3.27Å; H190-Y194 PolarHBondContact O-N 3.21Å; H190-H250 AromaticContact CE1-NE2 3.2Å; H190-H250 PolarHBondContact CE1-NE2 2.8Å; H190-H250 AromaticContact ND1-NE2 3.55Å; H190-Y337 AromaticContact CE1-CE2 3.77Å; H190-Y337 AromaticContact NE2-CE2 3.85Å; H190-I339 PolarHBondContact NE2-O 3.12Å
191	S	95.1	Very high	96.8	Very high	69 Å²	69	44.8 Å²	44.8	48%	0.483	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.7	-159.2	43.5	0	0	0	0	115.7	S195	S191-S195 VanDerWaalsContact O-CA 3.28Å; S191-S195 WeakPolarHBondContact O-CA 3.33Å; S191-S195 WeakPolarHBondContact O-CB 3.14Å; S191-S195 PolarHBondContact O-N 2.87Å; S191-S195 PolarHBondContact O-OG 2.89Å
192	D	93.8	Very high	96.8	Very high	101 Å²	101	46.7 Å²	46.7	54%	0.54	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.3	169	29.2	8.9	0	0	0	111.9	H190	H190-D192 PolarHBondContact O-N 2.81Å
193	H	97.2	Very high	96.8	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.12	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-42.5	178.4	-68	-104.1	0	0	0	112.4	D171 F173 L186 H188 H190 D272	D171-H193 HydrophobicContact CB-CB 4.09Å; D171-H193 IonicContact OD2-CE1 2.75Å; D171-H193 IonicContact OD2-CG 3.02Å; D171-H193 IonicContact OD2-ND1 3.93Å; D171-H193 PolarHBondContact OD2-ND1 2.9Å; F173-H193 WeakPolarHBondContact CD2-O 3.42Å; L186-H193 HydrophobicContact CD1-CB 4.28Å; H188-H193 AromaticContact CE1-CD2 3.39Å; H188-H193 PolarHBondContact CE1-CD2 2.78Å; H188-H193 AromaticContact CE1-CE1 3.64Å; H188-H193 AromaticContact CE1-CG 3.34Å; H188-H193 AromaticContact CE1-ND1 3.49Å; H188-H193 PolarHBondContact CE1-ND1 2.82Å; H188-H193 AromaticContact CE1-NE2 3.65Å; H188-H193 AromaticContact ND1-CG 3.91Å; H188-H193 AromaticContact ND1-ND1 3.93Å; H188-H193 AromaticContact NE2-CD2 3.81Å; H190-H193 PolarHBondContact O-N 2.8Å; H190-H193 VanDerWaalsContact O-N 3.14Å; H193-D272 IonicContact CE1-OD1 3.76Å; H193-D272 PolarHBondContact CE1-OD1 3.45Å; H193-D272 IonicContact CE1-OD2 2.63Å; H193-D272 IonicContact NE2-OD1 3.93Å; H193-D272 IonicContact NE2-OD2 3.74Å; H193-D272 PolarHBondContact NE2-OD2 3.08Å
194	Y	97.4	Very high	96.8	Very high	42 Å²	42	45.4 Å²	45.4	17%	0.165	23%	0.233	C	C	.	.	S	Bend	trans	-85.5	-2.8	175.6	70.1	-119.4	0	0	0	114.9	F189 H190 G196 L197 L219	F189-Y194 HydrophobicContact CD1-CD1 4.35Å; F189-Y194 AromaticContact CD1-CE1 3.89Å; F189-Y194 HydrophobicContact CD1-CE1 3.89Å; F189-Y194 AromaticContact CD2-CD1 3.57Å; F189-Y194 HydrophobicContact CD2-CD1 3.57Å; F189-Y194 AromaticContact CD2-CE1 3.88Å; F189-Y194 HydrophobicContact CD2-CE1 3.88Å; F189-Y194 HydrophobicContact CD2-CG 4.42Å; F189-Y194 HydrophobicContact CE1-CD1 4.36Å; F189-Y194 AromaticContact CE1-CE1 3.65Å; F189-Y194 HydrophobicContact CE1-CE1 3.65Å; F189-Y194 AromaticContact CE2-CD1 3.59Å; F189-Y194 HydrophobicContact CE2-CD1 3.59Å; F189-Y194 AromaticContact CE2-CE1 3.65Å; F189-Y194 HydrophobicContact CE2-CE1 3.65Å; F189-Y194 HydrophobicContact CE2-CG 4.22Å; F189-Y194 AromaticContact CG-CD1 3.96Å; F189-Y194 HydrophobicContact CG-CD1 3.96Å; F189-Y194 AromaticContact CG-CE1 3.98Å; F189-Y194 HydrophobicContact CG-CE1 3.98Å; F189-Y194 AromaticContact CZ-CD1 3.97Å; F189-Y194 HydrophobicContact CZ-CD1 3.97Å; F189-Y194 AromaticContact CZ-CE1 3.51Å; F189-Y194 HydrophobicContact CZ-CE1 3.51Å; F189-Y194 AromaticContact CZ-CZ 3.94Å; H190-Y194 VanDerWaalsContact C-CD1 3.43Å; H190-Y194 WeakPolarHBondContact O-CD1 3.27Å; H190-Y194 PolarHBondContact O-N 3.21Å; Y194-G196 PolarHBondContact O-N 2.96Å; Y194-L197 WeakPolarHBondContact O-CB 3.15Å; Y194-L197 PolarHBondContact O-N 2.8Å; Y194-L219 HydrophobicContact CD1-CD1 4.5Å; Y194-L219 HydrophobicContact CD2-CD1 3.61Å; Y194-L219 HydrophobicContact CD2-CD2 4.13Å; Y194-L219 HydrophobicContact CE2-CD1 4.11Å; Y194-L219 HydrophobicContact CE2-CD2 3.78Å; Y194-L219 HydrophobicContact CG-CD1 3.86Å
195	S	96	Very high	96.8	Very high	49 Å²	49	45.3 Å²	45.3	34%	0.343	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	126.2	-173.1	-103.7	0	0	0	0	112	F173 M174 S191	F173-S195 CarbonylContact C-O 3.56Å; F173-S195 WeakPolarHBondContact CB-O 3.27Å; M174-S195 WeakPolarHBondContact CA-O 3.48Å; M174-S195 WeakPolarHBondContact CB-O 3.36Å; M174-S195 PolarHBondContact N-O 2.89Å; S191-S195 VanDerWaalsContact O-CA 3.28Å; S191-S195 WeakPolarHBondContact O-CA 3.33Å; S191-S195 WeakPolarHBondContact O-CB 3.14Å; S191-S195 PolarHBondContact O-N 2.87Å; S191-S195 PolarHBondContact O-OG 2.89Å
196	G	95.2	Very high	96.8	Very high	42 Å²	42	46.4 Å²	46.4	43%	0.433	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-28.9	-174.3	0	0	0	0	0	114.5	Y194 N198	Y194-G196 PolarHBondContact O-N 2.96Å; G196-N198 PolarHBondContact O-N 2.93Å; G196-N198 PolarHBondContact O-ND2 3.15Å
197	L	96.2	Very high	96.8	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	24%	0.237	C	C	.	.			trans	-62.2	134.2	174.8	-78.6	-176.4	0	0	0	112.2	F173 L186 Y194 F201 I205 V215 L219	F173-L197 HydrophobicContact CB-CD2 4.27Å; F173-L197 HydrophobicContact CB-CG 3.84Å; F173-L197 HydrophobicContact CD1-CD1 3.91Å; F173-L197 HydrophobicContact CD1-CD2 3.3Å; F173-L197 HydrophobicContact CD1-CG 3.48Å; F173-L197 VanDerWaalsContact CD1-CG 3.48Å; F173-L197 HydrophobicContact CD2-CD1 4.25Å; F173-L197 HydrophobicContact CD2-CG 4.22Å; F173-L197 HydrophobicContact CE1-CD1 3.97Å; F173-L197 HydrophobicContact CE1-CD2 3.79Å; F173-L197 HydrophobicContact CE1-CG 4.04Å; F173-L197 HydrophobicContact CE2-CD1 4.35Å; F173-L197 HydrophobicContact CG-CD1 4.03Å; F173-L197 HydrophobicContact CG-CD2 3.92Å; F173-L197 HydrophobicContact CG-CG 3.56Å; F173-L197 HydrophobicContact CZ-CD1 4.22Å; L186-L197 HydrophobicContact CD2-CD1 4.01Å; Y194-L197 WeakPolarHBondContact O-CB 3.15Å; Y194-L197 PolarHBondContact O-N 2.8Å; L197-F201 HydrophobicContact CD2-CB 3.9Å; L197-F201 HydrophobicContact CD2-CD1 3.61Å; L197-F201 HydrophobicContact CD2-CD2 3.73Å; L197-F201 HydrophobicContact CD2-CE1 3.99Å; L197-F201 HydrophobicContact CD2-CE2 4.12Å; L197-F201 HydrophobicContact CD2-CG 3.45Å; L197-F201 VanDerWaalsContact CD2-CG 3.45Å; L197-F201 HydrophobicContact CD2-CZ 4.23Å; L197-I205 HydrophobicContact CD1-CD1 3.98Å; L197-I205 HydrophobicContact CD2-CD1 3.52Å; L197-I205 HydrophobicContact CG-CD1 4.44Å; L197-V215 HydrophobicContact CD1-CG1 4.45Å; L197-V215 HydrophobicContact CD1-CG2 4.46Å; L197-L219 HydrophobicContact CB-CD1 3.52Å; L197-L219 HydrophobicContact CD1-CD1 4.33Å
198	N	95.8	Very high	96.8	Very high	56 Å²	56	46.7 Å²	46.7	30%	0.299	24%	0.239	S	C	.	.			trans	-164.1	168.8	-178.8	71.9	92.6	0	0	0	109.3	G196 R200 F201 L219	G196-N198 PolarHBondContact O-N 2.93Å; G196-N198 PolarHBondContact O-ND2 3.15Å; N198-R200 PolarHBondContact O-N 2.96Å; N198-R200 WeakPolarHBondContact OD1-CB 3.34Å; N198-R200 PolarHBondContact OD1-N 2.91Å; N198-F201 WeakPolarHBondContact O-CB 3.41Å; N198-F201 PolarHBondContact O-N 2.79Å; N198-L219 CarbonylContact C-O 3.49Å
199	R	97.1	Very high	96.8	Very high	197 Å²	197	51.9 Å²	51.9	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-25.5	179.9	-175.5	164.6	71.1	148.9	2.5	116.8	L219 K220	R199-L219 PolarHBondContact N-O 2.82Å; R199-K220 WeakPolarHBondContact CA-O 3.34Å; R199-K220 HydrophobicContact CB-CB 4.09Å; R199-K220 WeakPolarHBondContact CB-O 3.29Å; R199-K220 HydrophobicContact CG-CB 4.45Å; R199-K220 VanDerWaalsContact CG-O 3.27Å; R199-K220 WeakPolarHBondContact CG-O 3.23Å
200	R	95.9	Very high	96.8	Very high	194 Å²	194	53.1 Å²	53.1	73%	0.732	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.2	-179.9	-59.6	-179.8	177.5	178.3	-1.3	114.3	F148 N198 S202	F148-R200 HydrophobicContact CD2-CB 3.83Å; F148-R200 WeakPolarHBondContact CD2-O 3.33Å; F148-R200 HydrophobicContact CE2-CB 3.59Å; N198-R200 PolarHBondContact O-N 2.96Å; N198-R200 WeakPolarHBondContact OD1-CB 3.34Å; N198-R200 PolarHBondContact OD1-N 2.91Å; R200-S202 PolarHBondContact O-N 3.37Å
201	F	95.7	Very high	96.8	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.018	26%	0.261	C	S	.	.			trans	-70.1	128.8	179.5	-166.3	-87.6	0	0	0	110.4	F148 F173 Y184 L197 N198 M203 I205	F148-F201 HydrophobicContact CE1-CD2 4.44Å; F173-F201 HydrophobicContact CD1-CE1 4.25Å; F173-F201 AromaticContact CD1-CE2 3.98Å; F173-F201 HydrophobicContact CD1-CE2 3.98Å; F173-F201 AromaticContact CD1-CZ 3.73Å; F173-F201 HydrophobicContact CD1-CZ 3.73Å; F173-F201 HydrophobicContact CE1-CE1 4.26Å; F173-F201 HydrophobicContact CE1-CZ 4.06Å; Y184-F201 AromaticContact CD1-CZ 3.89Å; Y184-F201 HydrophobicContact CD1-CZ 3.89Å; Y184-F201 HydrophobicContact CD2-CE1 4.47Å; Y184-F201 AromaticContact CD2-CZ 3.98Å; Y184-F201 HydrophobicContact CD2-CZ 3.98Å; Y184-F201 HydrophobicContact CE1-CZ 4.18Å; Y184-F201 HydrophobicContact CE2-CZ 4.3Å; Y184-F201 HydrophobicContact CG-CE1 4.44Å; Y184-F201 AromaticContact CG-CZ 3.82Å; Y184-F201 HydrophobicContact CG-CZ 3.82Å; L197-F201 HydrophobicContact CD2-CB 3.9Å; L197-F201 HydrophobicContact CD2-CD1 3.61Å; L197-F201 HydrophobicContact CD2-CD2 3.73Å; L197-F201 HydrophobicContact CD2-CE1 3.99Å; L197-F201 HydrophobicContact CD2-CE2 4.12Å; L197-F201 HydrophobicContact CD2-CG 3.45Å; L197-F201 VanDerWaalsContact CD2-CG 3.45Å; L197-F201 HydrophobicContact CD2-CZ 4.23Å; N198-F201 WeakPolarHBondContact O-CB 3.41Å; N198-F201 PolarHBondContact O-N 2.79Å; F201-M203 HydrophobicContact CE1-CB 3.7Å; F201-M203 WeakPolarHBondContact CE1-O 3.48Å; F201-M203 HydrophobicContact CZ-CB 3.95Å; F201-M203 HydrophobicContact CZ-CG 4.45Å; F201-I205 HydrophobicContact CD1-CD1 3.73Å; F201-I205 HydrophobicContact CD1-CG1 3.97Å; F201-I205 HydrophobicContact CE1-CD1 3.92Å; F201-I205 HydrophobicContact CE1-CG1 3.69Å
202	S	95.4	Very high	97	Very high	50 Å²	50	48.8 Å²	48.8	35%	0.35	24%	0.241	S	C	.	.			trans	-132.9	17.9	-165.5	64	0	0	0	0	114.5	R200 F225	R200-S202 PolarHBondContact O-N 3.37Å; S202-F225 WeakPolarHBondContact O-CD1 3.4Å; S202-F225 WeakPolarHBondContact O-CE1 3.33Å
203	M	96.3	Very high	97.2	Very high	41 Å²	41	45.9 Å²	45.9	20%	0.202	23%	0.229	C	C	.	.	S	Bend	trans	-100.5	153.4	171.7	-62.1	-64.5	-69	0	0	110	Y177 I181 Y184 F201 I205	Y177-M203 HydrophobicContact CD2-SD 4.4Å; Y177-M203 HydrophobicContact CE2-CE 4.47Å; I181-M203 WeakPolarHBondContact O-CE 3.42Å; Y184-M203 HydrophobicContact CD2-CB 3.68Å; Y184-M203 HydrophobicContact CD2-CG 4.32Å; Y184-M203 HydrophobicContact CE2-CB 3.68Å; Y184-M203 HydrophobicContact CE2-CE 4.16Å; Y184-M203 HydrophobicContact CE2-CG 3.79Å; F201-M203 HydrophobicContact CE1-CB 3.7Å; F201-M203 WeakPolarHBondContact CE1-O 3.48Å; F201-M203 HydrophobicContact CZ-CB 3.95Å; F201-M203 HydrophobicContact CZ-CG 4.45Å; M203-I205 PolarHBondContact O-N 3.1Å
204	P	97.7	Very high	97.2	Very high	39 Å²	39	44.7 Å²	44.7	25%	0.253	22%	0.223	S	C	.	.			trans	-53.6	127.3	172.9	-27.8	36.1	0	0	0	113.3	Q182 Y184 Y206	Q182-P204 WeakPolarHBondContact O-CD 3.46Å; Y184-P204 PolarHBondContact N-O 3.26Å; P204-Y206 HydrophobicContact CB-CD2 4.44Å; P204-Y206 HydrophobicContact CB-CE2 3.83Å
205	I	98.5	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.9	174.6	-51.1	177.3	0	0	0	109.2	F173 Y184 L186 L197 F201 M203 V221 F225 L226 H227	F173-I205 HydrophobicContact CE1-CD1 4.35Å; F173-I205 HydrophobicContact CE1-CG1 4.16Å; F173-I205 HydrophobicContact CE1-CG2 4.21Å; F173-I205 HydrophobicContact CZ-CG2 4.07Å; Y184-I205 CarbonylContact O-C 3.6Å; Y184-I205 VanDerWaalsContact O-CA 3.25Å; Y184-I205 WeakPolarHBondContact O-CA 3.4Å; L186-I205 HydrophobicContact CB-CG2 4.2Å; L197-I205 HydrophobicContact CD1-CD1 3.98Å; L197-I205 HydrophobicContact CD2-CD1 3.52Å; L197-I205 HydrophobicContact CG-CD1 4.44Å; F201-I205 HydrophobicContact CD1-CD1 3.73Å; F201-I205 HydrophobicContact CD1-CG1 3.97Å; F201-I205 HydrophobicContact CE1-CD1 3.92Å; F201-I205 HydrophobicContact CE1-CG1 3.69Å; M203-I205 PolarHBondContact O-N 3.1Å; I205-V221 HydrophobicContact CD1-CG1 4.11Å; I205-F225 PolarHBondContact N-O 2.99Å; I205-L226 HydrophobicContact CB-CD2 4.07Å; I205-L226 HydrophobicContact CD1-CD2 3.86Å; I205-L226 HydrophobicContact CG1-CD2 4.41Å; I205-H227 PolarHBondContact O-N 3.28Å
206	Y	98.8	Very high	97.4	Very high	22 Å²	22	41 Å²	41	9%	0.086	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.1	175.8	-70.3	-97	0	0	0	110.5	M183 Y184 F185 L186 P204 H227 L229 L237 P238	M183-Y206 HydrophobicContact CB-CD2 4.14Å; M183-Y206 HydrophobicContact CB-CE2 3.97Å; M183-Y206 HydrophobicContact CG-CD2 4.41Å; M183-Y206 HydrophobicContact CG-CE2 3.74Å; M183-Y206 HydrophobicContact SD-CE2 3.86Å; Y184-Y206 PolarHBondContact O-N 2.99Å; F185-Y206 WeakPolarHBondContact CA-O 3.41Å; F185-Y206 VanDerWaalsContact CE1-CB 3.4Å; F185-Y206 AromaticContact CE1-CG 3.98Å; F185-Y206 HydrophobicContact CE1-CG 3.98Å; F185-Y206 HydrophobicContact CE2-CD2 4.03Å; F185-Y206 HydrophobicContact CE2-CG 4.19Å; F185-Y206 HydrophobicContact CZ-CD1 4.32Å; F185-Y206 AromaticContact CZ-CD2 4Å; F185-Y206 HydrophobicContact CZ-CD2 4Å; F185-Y206 AromaticContact CZ-CG 3.73Å; F185-Y206 HydrophobicContact CZ-CG 3.73Å; L186-Y206 PolarHBondContact N-O 3.25Å; P204-Y206 HydrophobicContact CB-CD2 4.44Å; P204-Y206 HydrophobicContact CB-CE2 3.83Å; Y206-H227 WeakPolarHBondContact CA-O 3.24Å; Y206-H227 HydrophobicContact CD1-CB 3.61Å; Y206-H227 HydrophobicContact CD2-CB 4.44Å; Y206-H227 HydrophobicContact CE1-CB 3.64Å; Y206-H227 HydrophobicContact CE2-CB 4.44Å; Y206-H227 HydrophobicContact CG-CB 4.04Å; Y206-L229 HydrophobicContact CD1-CD2 4.07Å; Y206-L229 HydrophobicContact CD1-CG 4.28Å; Y206-L237 HydrophobicContact CD1-CD2 3.96Å; Y206-L237 HydrophobicContact CE1-CD2 3.53Å; Y206-L237 HydrophobicContact CE2-CD2 4.44Å; Y206-P238 WeakPolarHBondContact OH-CD 3.35Å
207	C	98.8	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	178.1	-177.4	59	0	0	0	0	112.4	L186 T211 H227 V228 L229	L186-C207 HydrophobicContact CB-CB 4.18Å; L186-C207 VanDerWaalsContact O-CB 3.31Å; L186-C207 WeakPolarHBondContact O-CB 3.36Å; C207-T211 HydrophobicContact CB-CG2 3.69Å; C207-H227 PolarHBondContact N-O 3.01Å; C207-H227 VanDerWaalsContact N-O 3.09Å; C207-V228 WeakPolarHBondContact O-CA 3.28Å; C207-L229 PolarHBondContact O-N 3.34Å
208	S	98.4	Very high	97.5	Very high	7 Å²	7	44.2 Å²	44.2	5%	0.049	21%	0.208	C	C	.	.			trans	-71.9	161	174.5	77.6	0	0	0	0	112.8	I210 T211 A212 G253	S208-I210 VanDerWaalsContact C-N 3.29Å; S208-I210 PolarHBondContact O-N 2.87Å; S208-T211 PolarHBondContact O-N 3.28Å; S208-T211 WeakPolarHBondContact OG-CB 3.39Å; S208-T211 PolarHBondContact OG-N 2.73Å; S208-T211 PolarHBondContact OG-OG1 3.1Å; S208-T211 VanDerWaalsContact OG-OG1 3.13Å; S208-A212 WeakPolarHBondContact O-CB 3.5Å; S208-A212 PolarHBondContact O-N 3.19Å; S208-G253 WeakPolarHBondContact CB-O 3.42Å; S208-G253 PolarHBondContact OG-O 3.39Å
209	K	98.1	Very high	97.5	Very high	109 Å²	109	43 Å²	43	47%	0.474	20%	0.201	S	C	.	.	H	α-helix	trans	-54.3	-41.2	177.4	-175.1	-171.9	169.5	-145.1	0	113.4	S213 V228 D370	K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.15Å; K209-S213 VanDerWaalsContact O-N 3.07Å; K209-S213 PolarHBondContact O-OG 3.45Å; K209-V228 HydrophobicContact CB-CG1 3.85Å; K209-D370 WeakPolarHBondContact CD-OD2 3.38Å; K209-D370 VanDerWaalsContact CE-OD2 3.31Å; K209-D370 WeakPolarHBondContact CE-OD2 3.15Å; K209-D370 IonicContact NZ-OD1 2.7Å; K209-D370 PolarHBondContact NZ-OD1 3Å; K209-D370 IonicContact NZ-OD2 3.33Å; K209-D370 PolarHBondContact NZ-OD2 3.25Å
210	I	97.6	Very high	97.6	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.138	19%	0.19	C	C	.	.	H	α-helix	trans	-67.9	-49.1	178.6	-67.2	172.7	0	0	0	109.5	S208 A212 S213 L214 L369	S208-I210 VanDerWaalsContact C-N 3.29Å; S208-I210 PolarHBondContact O-N 2.87Å; I210-A212 PolarHBondContact O-N 3.41Å; I210-S213 WeakPolarHBondContact O-CB 3.37Å; I210-S213 PolarHBondContact O-N 2.7Å; I210-S213 VanDerWaalsContact O-N 3.12Å; I210-L214 HydrophobicContact CG2-CD1 3.91Å; I210-L214 HydrophobicContact CG2-CG 4.46Å; I210-L214 WeakPolarHBondContact O-CG 3.45Å; I210-L214 PolarHBondContact O-N 3.36Å; I210-L369 WeakPolarHBondContact CD1-O 3.47Å; I210-L369 HydrophobicContact CG2-CD2 3.61Å
211	T	98.5	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-44.8	179	-64.1	0	0	0	0	111.7	L186 C207 S208 S213 L214 V215 G253	L186-T211 HydrophobicContact CB-CG2 4.35Å; L186-T211 HydrophobicContact CD2-CG2 3.56Å; L186-T211 HydrophobicContact CG-CG2 3.83Å; C207-T211 HydrophobicContact CB-CG2 3.69Å; S208-T211 PolarHBondContact O-N 3.28Å; S208-T211 WeakPolarHBondContact OG-CB 3.39Å; S208-T211 PolarHBondContact OG-N 2.73Å; S208-T211 PolarHBondContact OG-OG1 3.1Å; S208-T211 VanDerWaalsContact OG-OG1 3.13Å; T211-S213 VanDerWaalsContact C-N 3.34Å; T211-S213 PolarHBondContact O-N 2.78Å; T211-L214 PolarHBondContact O-N 2.93Å; T211-V215 HydrophobicContact CG2-CG2 4.45Å; T211-V215 WeakPolarHBondContact O-CB 3.21Å; T211-V215 VanDerWaalsContact O-CG2 3.3Å; T211-V215 WeakPolarHBondContact O-CG2 3.43Å; T211-V215 PolarHBondContact O-N 2.88Å; T211-G253 PolarHBondContact OG1-O 2.98Å; T211-G253 VanDerWaalsContact OG1-O 3.08Å
212	A	98.5	Very high	97.8	Very high	8 Å²	8	34 Å²	34	7%	0.066	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-43.6	173.4	0	0	0	0	0	112.3	S208 I210 L214 V215 A216 L226 V228	S208-A212 WeakPolarHBondContact O-CB 3.5Å; S208-A212 PolarHBondContact O-N 3.19Å; I210-A212 PolarHBondContact O-N 3.41Å; A212-L214 PolarHBondContact O-N 3.33Å; A212-V215 PolarHBondContact O-N 3.15Å; A212-A216 WeakPolarHBondContact O-CB 3.34Å; A212-A216 PolarHBondContact O-N 3.48Å; A212-L226 HydrophobicContact CB-CB 4.26Å; A212-L226 HydrophobicContact CB-CD1 4.45Å; A212-L226 WeakPolarHBondContact O-CD1 3.48Å; A212-V228 HydrophobicContact CB-CG2 3.79Å
213	S	97.8	Very high	97.9	Very high	40 Å²	40	40.8 Å²	40.8	28%	0.28	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-41.7	177.8	-61.9	0	0	0	0	112.1	K209 I210 T211 L217	K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.15Å; K209-S213 VanDerWaalsContact O-N 3.07Å; K209-S213 PolarHBondContact O-OG 3.45Å; I210-S213 WeakPolarHBondContact O-CB 3.37Å; I210-S213 PolarHBondContact O-N 2.7Å; I210-S213 VanDerWaalsContact O-N 3.12Å; T211-S213 VanDerWaalsContact C-N 3.34Å; T211-S213 PolarHBondContact O-N 2.78Å; S213-L217 WeakPolarHBondContact O-CB 3.46Å; S213-L217 PolarHBondContact O-N 3.35Å
214	L	97.9	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-42.3	177.2	-66.6	171.3	0	0	0	112.6	F189 I210 T211 A212 L217 K218 I339 V365 C368 L369	F189-L214 HydrophobicContact CB-CB 4.26Å; F189-L214 HydrophobicContact CB-CD1 3.85Å; F189-L214 HydrophobicContact CD1-CB 3.8Å; F189-L214 HydrophobicContact CD1-CD1 4.02Å; F189-L214 HydrophobicContact CD1-CG 4.41Å; F189-L214 HydrophobicContact CD2-CB 3.93Å; F189-L214 HydrophobicContact CE1-CB 4.17Å; F189-L214 HydrophobicContact CE2-CB 4.26Å; F189-L214 HydrophobicContact CG-CB 3.7Å; F189-L214 HydrophobicContact CG-CD1 4.04Å; F189-L214 HydrophobicContact CZ-CB 4.4Å; I210-L214 HydrophobicContact CG2-CD1 3.91Å; I210-L214 HydrophobicContact CG2-CG 4.46Å; I210-L214 WeakPolarHBondContact O-CG 3.45Å; I210-L214 PolarHBondContact O-N 3.36Å; T211-L214 PolarHBondContact O-N 2.93Å; A212-L214 PolarHBondContact O-N 3.33Å; L214-L217 PolarHBondContact O-N 3.2Å; L214-K218 VanDerWaalsContact O-CB 3.3Å; L214-K218 WeakPolarHBondContact O-CB 3.29Å; L214-K218 WeakPolarHBondContact O-CG 3.27Å; L214-K218 PolarHBondContact O-N 2.95Å; L214-I339 HydrophobicContact CD1-CD1 3.89Å; L214-I339 HydrophobicContact CD1-CG2 3.85Å; L214-I339 HydrophobicContact CD2-CG2 4.48Å; L214-V365 HydrophobicContact CD2-CB 4.32Å; L214-V365 HydrophobicContact CD2-CG1 3.81Å; L214-V365 HydrophobicContact CD2-CG2 4.36Å; L214-C368 HydrophobicContact CD2-CB 3.72Å; L214-C368 HydrophobicContact CG-CB 4.2Å; L214-L369 HydrophobicContact CD1-CD2 4.35Å
215	V	98.3	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-60.1	-47.5	175.1	169.7	0	0	0	0	111	L186 F189 L197 T211 A212 L219 K220 V221 L226	L186-V215 HydrophobicContact CD2-CG2 3.57Å; F189-V215 HydrophobicContact CD2-CG2 3.74Å; F189-V215 HydrophobicContact CE2-CB 4.5Å; F189-V215 HydrophobicContact CE2-CG2 3.82Å; L197-V215 HydrophobicContact CD1-CG1 4.45Å; L197-V215 HydrophobicContact CD1-CG2 4.46Å; T211-V215 HydrophobicContact CG2-CG2 4.45Å; T211-V215 WeakPolarHBondContact O-CB 3.21Å; T211-V215 VanDerWaalsContact O-CG2 3.3Å; T211-V215 WeakPolarHBondContact O-CG2 3.43Å; T211-V215 PolarHBondContact O-N 2.88Å; A212-V215 PolarHBondContact O-N 3.15Å; V215-L219 HydrophobicContact CG2-CD1 4.48Å; V215-L219 CarbonylContact O-C 3.58Å; V215-L219 WeakPolarHBondContact O-CA 3.45Å; V215-L219 WeakPolarHBondContact O-CB 3.39Å; V215-L219 PolarHBondContact O-N 3.3Å; V215-K220 PolarHBondContact O-N 3.44Å; V215-K220 VanDerWaalsContact O-N 3.1Å; V215-V221 HydrophobicContact CG1-CB 3.8Å; V215-V221 HydrophobicContact CG1-CG2 3.53Å; V215-L226 HydrophobicContact CB-CD2 4.48Å; V215-L226 HydrophobicContact CG1-CD1 4.32Å; V215-L226 HydrophobicContact CG1-CD2 3.82Å
216	A	98	Very high	98	Very high	15 Å²	15	49.1 Å²	49.1	12%	0.124	22%	0.223	C	C	.	.	I	π-helix	trans	-63.4	-42.3	175.5	0	0	0	0	0	112.4	A212 K220 R223 L226	A212-A216 WeakPolarHBondContact O-CB 3.34Å; A212-A216 PolarHBondContact O-N 3.48Å; A216-K220 WeakPolarHBondContact O-CA 3.42Å; A216-R223 HydrophobicContact CB-CG 4.17Å; A216-L226 HydrophobicContact CB-CD1 3.84Å
217	L	97	Very high	98	Very high	45 Å²	45	51.4 Å²	51.4	24%	0.236	23%	0.234	C	C	.	.	I	π-helix	trans	-67.6	-46.7	-179.6	173.7	65.5	0	0	0	112.7	S213 L214 K220 Q364 V365	S213-L217 WeakPolarHBondContact O-CB 3.46Å; S213-L217 PolarHBondContact O-N 3.35Å; L214-L217 PolarHBondContact O-N 3.2Å; L217-K220 WeakPolarHBondContact O-CD 3.43Å; L217-K220 VanDerWaalsContact O-CE 3.22Å; L217-K220 WeakPolarHBondContact O-CE 3.16Å; L217-K220 PolarHBondContact O-NZ 2.72Å; L217-Q364 HydrophobicContact CD2-CB 4.23Å; L217-Q364 WeakPolarHBondContact CD2-O 3.38Å; L217-V365 HydrophobicContact CD2-CG2 4.5Å
218	K	96.5	Very high	98	Very high	75 Å²	75	55.2 Å²	55.2	33%	0.326	26%	0.257	S	S	.	.	I	π-helix	trans	-101	-45	-165.6	-60.4	-72.8	-75.6	-164.4	0	112.7	F189 L214 V365	F189-K218 HydrophobicContact CE1-CB 4.18Å; F189-K218 HydrophobicContact CE1-CG 4.11Å; F189-K218 HydrophobicContact CZ-CB 3.69Å; F189-K218 HydrophobicContact CZ-CG 4.11Å; L214-K218 VanDerWaalsContact O-CB 3.3Å; L214-K218 WeakPolarHBondContact O-CB 3.29Å; L214-K218 WeakPolarHBondContact O-CG 3.27Å; L214-K218 PolarHBondContact O-N 2.95Å; K218-V365 HydrophobicContact CD-CG2 3.72Å; K218-V365 HydrophobicContact CG-CG2 4.27Å
219	L	97.3	Very high	98	Very high	29 Å²	29	55.2 Å²	55.2	15%	0.152	26%	0.256	C	S	.	.	I	π-helix	trans	-92.7	-12.3	-177.4	-50.8	-175.6	0	0	0	113	F189 Y194 L197 N198 R199 V215 V221	F189-L219 HydrophobicContact CE2-CD1 3.73Å; F189-L219 HydrophobicContact CE2-CD2 4.48Å; F189-L219 HydrophobicContact CE2-CG 3.83Å; F189-L219 HydrophobicContact CZ-CD1 4.29Å; F189-L219 HydrophobicContact CZ-CD2 4.22Å; F189-L219 HydrophobicContact CZ-CG 3.97Å; Y194-L219 HydrophobicContact CD1-CD1 4.5Å; Y194-L219 HydrophobicContact CD2-CD1 3.61Å; Y194-L219 HydrophobicContact CD2-CD2 4.13Å; Y194-L219 HydrophobicContact CE2-CD1 4.11Å; Y194-L219 HydrophobicContact CE2-CD2 3.78Å; Y194-L219 HydrophobicContact CG-CD1 3.86Å; L197-L219 HydrophobicContact CB-CD1 3.52Å; L197-L219 HydrophobicContact CD1-CD1 4.33Å; N198-L219 CarbonylContact C-O 3.49Å; R199-L219 PolarHBondContact N-O 2.82Å; V215-L219 HydrophobicContact CG2-CD1 4.48Å; V215-L219 CarbonylContact O-C 3.58Å; V215-L219 WeakPolarHBondContact O-CA 3.45Å; V215-L219 WeakPolarHBondContact O-CB 3.39Å; V215-L219 PolarHBondContact O-N 3.3Å; L219-V221 VanDerWaalsContact C-N 3.26Å; L219-V221 HydrophobicContact CB-CG2 4.33Å; L219-V221 PolarHBondContact O-N 2.74Å
220	K	97.8	Very high	97.9	Very high	117 Å²	117	56.2 Å²	56.2	51%	0.509	26%	0.263	S	S	.	.			trans	62	26.5	176.2	-51.8	-56.7	-168.7	-172.5	0	114.3	R199 V215 A216 L217	R199-K220 WeakPolarHBondContact CA-O 3.34Å; R199-K220 HydrophobicContact CB-CB 4.09Å; R199-K220 WeakPolarHBondContact CB-O 3.29Å; R199-K220 HydrophobicContact CG-CB 4.45Å; R199-K220 VanDerWaalsContact CG-O 3.27Å; R199-K220 WeakPolarHBondContact CG-O 3.23Å; V215-K220 PolarHBondContact O-N 3.44Å; V215-K220 VanDerWaalsContact O-N 3.1Å; A216-K220 WeakPolarHBondContact O-CA 3.42Å; L217-K220 WeakPolarHBondContact O-CD 3.43Å; L217-K220 VanDerWaalsContact O-CE 3.22Å; L217-K220 WeakPolarHBondContact O-CE 3.16Å; L217-K220 PolarHBondContact O-NZ 2.72Å
221	V	98	Very high	97.9	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.03	27%	0.271	C	S	.	.			trans	-60.6	141	167.7	-173.3	0	0	0	0	108.8	I205 V215 L219 F225 L226	I205-V221 HydrophobicContact CD1-CG1 4.11Å; V215-V221 HydrophobicContact CG1-CB 3.8Å; V215-V221 HydrophobicContact CG1-CG2 3.53Å; L219-V221 VanDerWaalsContact C-N 3.26Å; L219-V221 HydrophobicContact CB-CG2 4.33Å; L219-V221 PolarHBondContact O-N 2.74Å; V221-F225 HydrophobicContact CG1-CB 4.35Å; V221-F225 HydrophobicContact CG1-CD2 4.43Å; V221-L226 HydrophobicContact CB-CD2 4.41Å; V221-L226 HydrophobicContact CG1-CD2 4.09Å
222	D	98.1	Very high	97.8	Very high	84 Å²	84	62.4 Å²	62.4	45%	0.449	30%	0.296	S	S	.	.			trans	-65.8	134.1	175.7	-171	-34.2	0	0	0	110.1	R224 F225	D222-R224 HydrophobicContact CB-CG 4.09Å; D222-R224 PolarHBondContact O-N 2.75Å; D222-R224 VanDerWaalsContact O-N 3.11Å; D222-R224 WeakPolarHBondContact OD1-CG 3.3Å; D222-R224 PolarHBondContact OD1-N 2.81Å; D222-F225 HydrophobicContact CB-CD2 3.89Å; D222-F225 HydrophobicContact CB-CE2 4.01Å; D222-F225 PolarHBondContact O-N 3.47Å; D222-F225 VanDerWaalsContact O-N 3.09Å
223	R	97.8	Very high	97.8	Very high	194 Å²	194	66.9 Å²	66.9	73%	0.732	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-58.1	-24.1	179.9	-71.2	-172.6	173.7	112.8	-5.7	113.1	A216 F225 L226	A216-R223 HydrophobicContact CB-CG 4.17Å; R223-F225 PolarHBondContact O-N 3.02Å; R223-F225 VanDerWaalsContact O-N 3.12Å; R223-L226 PolarHBondContact O-N 3.04Å
224	R	98	Very high	97.8	Very high	186 Å²	186	70.6 Å²	70.6	70%	0.702	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.8	176.1	77.3	-176.4	-65.5	146	5	114.7	D222	D222-R224 HydrophobicContact CB-CG 4.09Å; D222-R224 PolarHBondContact O-N 2.75Å; D222-R224 VanDerWaalsContact O-N 3.11Å; D222-R224 WeakPolarHBondContact OD1-CG 3.3Å; D222-R224 PolarHBondContact OD1-N 2.81Å
225	F	98.1	Very high	97.8	Very high	46 Å²	46	72.4 Å²	72.4	20%	0.202	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-102.4	0.5	176.6	-55.6	-64.8	0	0	0	112.8	S202 I205 V221 D222 R223	S202-F225 WeakPolarHBondContact O-CD1 3.4Å; S202-F225 WeakPolarHBondContact O-CE1 3.33Å; I205-F225 PolarHBondContact N-O 2.99Å; V221-F225 HydrophobicContact CG1-CB 4.35Å; V221-F225 HydrophobicContact CG1-CD2 4.43Å; D222-F225 HydrophobicContact CB-CD2 3.89Å; D222-F225 HydrophobicContact CB-CE2 4.01Å; D222-F225 PolarHBondContact O-N 3.47Å; D222-F225 VanDerWaalsContact O-N 3.09Å; R223-F225 PolarHBondContact O-N 3.02Å; R223-F225 VanDerWaalsContact O-N 3.12Å
226	L	98.5	Very high	97.7	Very high	23 Å²	23	78 Å²	78	12%	0.12	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	98.9	-174.8	-56.5	-177.7	0	0	0	110.3	I205 A212 V215 A216 V221 R223	I205-L226 HydrophobicContact CB-CD2 4.07Å; I205-L226 HydrophobicContact CD1-CD2 3.86Å; I205-L226 HydrophobicContact CG1-CD2 4.41Å; A212-L226 HydrophobicContact CB-CB 4.26Å; A212-L226 HydrophobicContact CB-CD1 4.45Å; A212-L226 WeakPolarHBondContact O-CD1 3.48Å; V215-L226 HydrophobicContact CB-CD2 4.48Å; V215-L226 HydrophobicContact CG1-CD1 4.32Å; V215-L226 HydrophobicContact CG1-CD2 3.82Å; A216-L226 HydrophobicContact CB-CD1 3.84Å; V221-L226 HydrophobicContact CB-CD2 4.41Å; V221-L226 HydrophobicContact CG1-CD2 4.09Å; R223-L226 PolarHBondContact O-N 3.04Å
227	H	98.5	Very high	97.7	Very high	70 Å²	70	77.5 Å²	77.5	32%	0.324	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.5	178.1	-59.7	-91.8	0	0	0	108.9	I205 Y206 C207	I205-H227 PolarHBondContact O-N 3.28Å; Y206-H227 WeakPolarHBondContact CA-O 3.24Å; Y206-H227 HydrophobicContact CD1-CB 3.61Å; Y206-H227 HydrophobicContact CD2-CB 4.44Å; Y206-H227 HydrophobicContact CE1-CB 3.64Å; Y206-H227 HydrophobicContact CE2-CB 4.44Å; Y206-H227 HydrophobicContact CG-CB 4.04Å; C207-H227 PolarHBondContact N-O 3.01Å; C207-H227 VanDerWaalsContact N-O 3.09Å
228	V	98.4	Very high	97.6	Very high	79 Å²	79	79.9 Å²	79.9	48%	0.479	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123	177.1	174	0	0	0	0	109.2	C207 K209 A212	C207-V228 WeakPolarHBondContact O-CA 3.28Å; K209-V228 HydrophobicContact CB-CG1 3.85Å; A212-V228 HydrophobicContact CB-CG2 3.79Å
229	L	98.5	Very high	97.5	Very high	8 Å²	8	77.5 Å²	77.5	4%	0.042	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-88.4	135.8	166.9	-67.2	172.3	0	0	0	109.7	F185 Y206 C207 V243 A245 F257	F185-L229 HydrophobicContact CD1-CD1 4.43Å; F185-L229 HydrophobicContact CE1-CD1 3.96Å; Y206-L229 HydrophobicContact CD1-CD2 4.07Å; Y206-L229 HydrophobicContact CD1-CG 4.28Å; C207-L229 PolarHBondContact O-N 3.34Å; L229-V243 HydrophobicContact CD1-CG1 4.15Å; L229-V243 HydrophobicContact CD2-CG1 3.95Å; L229-A245 HydrophobicContact CB-CB 4Å; L229-A245 HydrophobicContact CD1-CB 4.3Å; L229-F257 HydrophobicContact CD1-CD1 4.17Å; L229-F257 HydrophobicContact CD1-CE1 3.87Å
230	E	97.7	Very high	97.3	Very high	129 Å²	129	78 Å²	78	60%	0.603	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-80	143.4	169.5	-171	165.4	-171.3	0	0	110.4	H233	E230-H233 HydrophobicContact CB-CB 4.29Å; E230-H233 HydrophobicContact CG-CB 4.48Å; E230-H233 IonicContact OE1-CE1 3.64Å; E230-H233 IonicContact OE1-ND1 3.6Å
231	L	96.9	Very high	97.3	Very high	62 Å²	62	72.5 Å²	72.5	33%	0.325	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-74.2	141.5	-178.3	-59	-177.6	0	0	0	110.7	H233 A245 V255	L231-H233 PolarHBondContact O-N 2.91Å; L231-H233 PolarHBondContact O-ND1 2.92Å; L231-A245 CarbonylContact C-O 3.52Å; L231-A245 WeakPolarHBondContact CA-O 3.41Å; L231-A245 HydrophobicContact CD2-CB 4.08Å; L231-V255 HydrophobicContact CD2-CG1 3.47Å; L231-V255 VanDerWaalsContact CD2-CG1 3.47Å
232	N	97.1	Very high	97.3	Very high	96 Å²	96	73.3 Å²	73.3	51%	0.513	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	20.3	178.9	-46.1	-43	0	0	0	114.6	A245	N232-A245 PolarHBondContact N-O 3.31Å
233	H	97.5	Very high	97.3	Very high	101 Å²	101	69.3 Å²	69.3	47%	0.468	35%	0.348	S	S	.	.			trans	-120.1	141.2	176.1	-70.7	84.6	0	0	0	111.1	E230 L231 M244	E230-H233 HydrophobicContact CB-CB 4.29Å; E230-H233 HydrophobicContact CG-CB 4.48Å; E230-H233 IonicContact OE1-CE1 3.64Å; E230-H233 IonicContact OE1-ND1 3.6Å; L231-H233 PolarHBondContact O-N 2.91Å; L231-H233 PolarHBondContact O-ND1 2.92Å; H233-M244 WeakPolarHBondContact O-CG 3.45Å
234	W	98	Very high	97.4	Very high	119 Å²	119	60.6 Å²	60.6	45%	0.451	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.9	174.3	-72.2	104.2	0	0	0	111.4	A242 V243 M244 I258 K260 I288	W234-A242 HydrophobicContact CE3-CB 3.84Å; W234-A242 HydrophobicContact CZ3-CB 4.15Å; W234-V243 WeakPolarHBondContact CA-O 3.5Å; W234-M244 HydrophobicContact CD2-CB 4.03Å; W234-M244 HydrophobicContact CE3-CB 3.88Å; W234-M244 HydrophobicContact CZ2-CE 4.31Å; W234-M244 HydrophobicContact CZ3-CB 4.19Å; W234-I258 HydrophobicContact CH2-CG2 3.86Å; W234-I258 HydrophobicContact CZ3-CG2 4.39Å; W234-K260 HydrophobicContact CH2-CB 3.81Å; W234-K260 HydrophobicContact CH2-CD 4.49Å; W234-K260 HydrophobicContact CZ3-CB 3.78Å; W234-I288 HydrophobicContact CH2-CD1 4.12Å; W234-I288 HydrophobicContact CZ2-CD1 3.49Å; W234-I288 VanDerWaalsContact CZ2-CD1 3.49Å; W234-I288 HydrophobicContact CZ2-CG1 4.45Å
235	S	98	Very high	97.4	Very high	37 Å²	37	51.8 Å²	51.8	26%	0.259	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.6	173.1	-63.5	0	0	0	0	110	A242 V243	S235-A242 WeakPolarHBondContact O-CA 3.46Å; S235-V243 PolarHBondContact N-O 3.18Å; S235-V243 PolarHBondContact O-N 3.4Å
236	T	97.2	Very high	97.4	Very high	117 Å²	117	49.6 Å²	49.6	72%	0.718	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.2	174.5	-52.9	0	0	0	0	110.3
237	L	96.7	Very high	97.4	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	28%	0.282	C	S	.	.			trans	-88.5	156.1	179.6	-61	179.4	0	0	0	111.7	M183 F185 Y206 D239 G240 T241 V243	M183-L237 HydrophobicContact CE-CB 3.94Å; M183-L237 HydrophobicContact CE-CD1 4.17Å; M183-L237 HydrophobicContact SD-CB 3.72Å; M183-L237 HydrophobicContact SD-CD1 3.99Å; M183-L237 HydrophobicContact SD-CD2 4Å; M183-L237 HydrophobicContact SD-CG 4.12Å; F185-L237 HydrophobicContact CE2-CD1 4.26Å; F185-L237 HydrophobicContact CZ-CD1 3.67Å; F185-L237 HydrophobicContact CZ-CD2 4.07Å; Y206-L237 HydrophobicContact CD1-CD2 3.96Å; Y206-L237 HydrophobicContact CE1-CD2 3.53Å; Y206-L237 HydrophobicContact CE2-CD2 4.44Å; L237-D239 PolarHBondContact O-N 3.22Å; L237-D239 VanDerWaalsContact O-N 3.1Å; L237-G240 WeakPolarHBondContact O-CA 3.42Å; L237-G240 PolarHBondContact O-N 3.35Å; L237-T241 VanDerWaalsContact CB-O 3.27Å; L237-T241 WeakPolarHBondContact CB-O 3.39Å; L237-T241 HydrophobicContact CD1-CG2 4.31Å; L237-T241 WeakPolarHBondContact CG-O 3.14Å; L237-T241 PolarHBondContact N-O 3.2Å; L237-V243 HydrophobicContact CD1-CB 4.17Å; L237-V243 HydrophobicContact CD1-CG1 4.02Å; L237-V243 HydrophobicContact CD2-CG1 3.78Å; L237-V243 HydrophobicContact CG-CB 4.47Å; L237-V243 HydrophobicContact CG-CG1 3.93Å
238	P	94.8	Very high	97.4	Very high	95 Å²	95	48 Å²	48	62%	0.617	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-30.7	176.9	-31.6	35.7	0	0	0	116	M183 Y206 G240	M183-P238 HydrophobicContact SD-CG 4.43Å; Y206-P238 WeakPolarHBondContact OH-CD 3.35Å; P238-G240 VanDerWaalsContact C-N 3.28Å; P238-G240 PolarHBondContact O-N 3.21Å
239	D	94	Very high	97.3	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.4	176.8	76.4	5.8	0	0	0	114.1	S167 M183 L237 T241 K262	S167-D239 WeakPolarHBondContact CB-OD2 3.34Å; S167-D239 PolarHBondContact N-OD2 2.86Å; S167-D239 WeakPolarHBondContact OG-CB 3.31Å; S167-D239 PolarHBondContact OG-OD2 2.91Å; M183-D239 HydrophobicContact CE-CB 3.95Å; M183-D239 VanDerWaalsContact CE-CG 3.41Å; M183-D239 WeakPolarHBondContact CE-OD2 3.48Å; L237-D239 PolarHBondContact O-N 3.22Å; L237-D239 VanDerWaalsContact O-N 3.1Å; D239-T241 WeakPolarHBondContact OD1-CB 3.36Å; D239-T241 PolarHBondContact OD1-N 3.35Å; D239-T241 PolarHBondContact OD1-OG1 3.01Å; D239-K262 WeakPolarHBondContact O-CE 3.38Å; D239-K262 PolarHBondContact O-NZ 3.32Å
240	G	94.8	Very high	97.1	Very high	38 Å²	38	44.6 Å²	44.6	39%	0.392	25%	0.246	S	C	.	.	S	Bend	trans	88.2	0.7	-179.2	0	0	0	0	0	115.3	L237 P238	L237-G240 WeakPolarHBondContact O-CA 3.42Å; L237-G240 PolarHBondContact O-N 3.35Å; P238-G240 VanDerWaalsContact C-N 3.28Å; P238-G240 PolarHBondContact O-N 3.21Å
241	T	97.1	Very high	97	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	22%	0.22	C	C	.	.			trans	-68.5	140.3	167	-53.8	0	0	0	0	109.8	T166 L237 D239 F259 K260	T166-T241 HydrophobicContact CG2-CG2 3.77Å; T166-T241 WeakPolarHBondContact CG2-OG1 3.22Å; L237-T241 VanDerWaalsContact CB-O 3.27Å; L237-T241 WeakPolarHBondContact CB-O 3.39Å; L237-T241 HydrophobicContact CD1-CG2 4.31Å; L237-T241 WeakPolarHBondContact CG-O 3.14Å; L237-T241 PolarHBondContact N-O 3.2Å; D239-T241 WeakPolarHBondContact OD1-CB 3.36Å; D239-T241 PolarHBondContact OD1-N 3.35Å; D239-T241 PolarHBondContact OD1-OG1 3.01Å; T241-F259 HydrophobicContact CG2-CB 4.22Å; T241-F259 HydrophobicContact CG2-CD1 4.22Å; T241-K260 WeakPolarHBondContact CG2-O 3.49Å
242	A	98.1	Very high	96.9	Very high	22 Å²	22	37.7 Å²	37.7	18%	0.182	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.7	167.6	0	0	0	0	0	109.9	W234 S235 F259 K260	W234-A242 HydrophobicContact CE3-CB 3.84Å; W234-A242 HydrophobicContact CZ3-CB 4.15Å; S235-A242 WeakPolarHBondContact O-CA 3.46Å; A242-F259 CarbonylContact O-C 3.5Å; A242-F259 WeakPolarHBondContact O-CA 3.32Å; A242-K260 HydrophobicContact CB-CB 4.38Å; A242-K260 PolarHBondContact N-O 3.13Å; A242-K260 PolarHBondContact O-N 2.64Å
243	V	98.6	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.3	177.1	69.7	0	0	0	0	111.5	F185 L229 W234 S235 L237 F257 I258 F259	F185-V243 HydrophobicContact CE1-CG1 4.19Å; F185-V243 HydrophobicContact CE1-CG2 3.98Å; F185-V243 HydrophobicContact CZ-CG1 4.41Å; L229-V243 HydrophobicContact CD1-CG1 4.15Å; L229-V243 HydrophobicContact CD2-CG1 3.95Å; W234-V243 WeakPolarHBondContact CA-O 3.5Å; S235-V243 PolarHBondContact N-O 3.18Å; S235-V243 PolarHBondContact O-N 3.4Å; L237-V243 HydrophobicContact CD1-CB 4.17Å; L237-V243 HydrophobicContact CD1-CG1 4.02Å; L237-V243 HydrophobicContact CD2-CG1 3.78Å; L237-V243 HydrophobicContact CG-CB 4.47Å; L237-V243 HydrophobicContact CG-CG1 3.93Å; V243-F257 HydrophobicContact CG2-CB 4.26Å; V243-F257 HydrophobicContact CG2-CD1 4.46Å; V243-I258 CarbonylContact C-O 3.57Å; V243-I258 VanDerWaalsContact CA-O 3.28Å; V243-I258 WeakPolarHBondContact CA-O 3.41Å; V243-F259 HydrophobicContact CB-CD1 4.05Å; V243-F259 HydrophobicContact CB-CE1 4.29Å; V243-F259 HydrophobicContact CG2-CD1 3.69Å; V243-F259 HydrophobicContact CG2-CE1 3.68Å; V243-F259 HydrophobicContact CG2-CG 4.23Å; V243-F259 HydrophobicContact CG2-CZ 4.2Å
244	M	98.6	Very high	96.9	Very high	11 Å²	11	29 Å²	29	5%	0.054	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.5	170.8	178.4	168	63	0	0	109.8	H233 W234 I246 F257 I258 V284 I288	H233-M244 WeakPolarHBondContact O-CG 3.45Å; W234-M244 HydrophobicContact CD2-CB 4.03Å; W234-M244 HydrophobicContact CE3-CB 3.88Å; W234-M244 HydrophobicContact CZ2-CE 4.31Å; W234-M244 HydrophobicContact CZ3-CB 4.19Å; M244-I246 HydrophobicContact CE-CD1 4.48Å; M244-F257 WeakPolarHBondContact O-CA 3.5Å; M244-I258 HydrophobicContact CE-CD1 4.15Å; M244-I258 PolarHBondContact N-O 3.07Å; M244-I258 PolarHBondContact O-N 3.11Å; M244-V284 HydrophobicContact CE-CG2 3.55Å; M244-I288 HydrophobicContact CE-CD1 3.49Å; M244-I288 VanDerWaalsContact CE-CD1 3.49Å
245	A	98.7	Very high	97	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.4	175.6	0	0	0	0	0	110.8	L229 L231 N232 V255 M256 F257	L229-A245 HydrophobicContact CB-CB 4Å; L229-A245 HydrophobicContact CD1-CB 4.3Å; L231-A245 CarbonylContact C-O 3.52Å; L231-A245 WeakPolarHBondContact CA-O 3.41Å; L231-A245 HydrophobicContact CD2-CB 4.08Å; N232-A245 PolarHBondContact N-O 3.31Å; A245-V255 HydrophobicContact CB-CB 4.33Å; A245-V255 HydrophobicContact CB-CG1 4.38Å; A245-M256 WeakPolarHBondContact CA-O 3.39Å; A245-F257 HydrophobicContact CB-CD1 4.24Å; A245-F257 HydrophobicContact CB-CE1 4.33Å
246	I	98.2	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.7	-179.5	-56.2	160.9	0	0	0	108.3	M244 A248 V255 M256 I258 N282 V284 W285	M244-I246 HydrophobicContact CE-CD1 4.48Å; I246-A248 PolarHBondContact O-N 2.86Å; I246-V255 CarbonylContact O-C 3.37Å; I246-V255 WeakPolarHBondContact O-CA 3.5Å; I246-V255 WeakPolarHBondContact O-CB 3.19Å; I246-M256 HydrophobicContact CB-CB 4.44Å; I246-M256 HydrophobicContact CB-CE 4.03Å; I246-M256 HydrophobicContact CG2-CE 3.63Å; I246-M256 PolarHBondContact N-O 2.94Å; I246-M256 PolarHBondContact O-N 2.8Å; I246-I258 HydrophobicContact CD1-CD1 3.53Å; I246-I258 HydrophobicContact CD1-CG1 3.87Å; I246-N282 WeakPolarHBondContact CG2-ND2 3.47Å; I246-V284 HydrophobicContact CD1-CG1 4.04Å; I246-V284 HydrophobicContact CD1-CG2 4.05Å; I246-W285 HydrophobicContact CD1-CH2 4.23Å
247	D	97.8	Very high	97.1	Very high	60 Å²	60	16.2 Å²	16.2	32%	0.321	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	131.7	176	-165.2	-54.4	0	0	0	111.2	N249 I279	D247-N249 PolarHBondContact OD1-N 3.46Å; D247-I279 WeakPolarHBondContact O-CD1 3.31Å
248	A	98.2	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.108	C	C	.	.			trans	-93.2	-5.9	-176.3	0	0	0	0	0	114.7	I246 H250 A254 M256 F273 R274	I246-A248 PolarHBondContact O-N 2.86Å; A248-H250 HydrophobicContact CB-CB 4.48Å; A248-H250 PolarHBondContact O-N 2.93Å; A248-A254 HydrophobicContact CB-CB 4.03Å; A248-A254 PolarHBondContact N-O 2.9Å; A248-A254 VanDerWaalsContact N-O 3.08Å; A248-M256 HydrophobicContact CB-CG 3.99Å; A248-F273 HydrophobicContact CB-CB 3.92Å; A248-F273 WeakPolarHBondContact O-CA 3.44Å; A248-F273 WeakPolarHBondContact O-CB 3.18Å; A248-R274 PolarHBondContact O-N 2.96Å
249	N	96.8	Very high	97.4	Very high	8 Å²	8	11.4 Å²	11.4	4%	0.043	8%	0.079	C	C	.	.	S	Bend	trans	52.1	22.6	-173.7	-169.9	50.5	0	0	0	114.6	D247 R274 E276 I278 I279 R343	D247-N249 PolarHBondContact OD1-N 3.46Å; N249-R274 PolarHBondContact ND2-O 3.18Å; N249-R274 VanDerWaalsContact ND2-O 3.13Å; N249-E276 PolarHBondContact ND2-OE2 3.13Å; N249-I278 HydrophobicContact CB-CG2 4.06Å; N249-I279 HydrophobicContact CB-CD1 3.9Å; N249-I279 HydrophobicContact CB-CG1 3.94Å; N249-R343 PolarHBondContact OD1-NH1 3.3Å; N249-R343 PolarHBondContact OD1-NH2 2.96Å
250	H	95.6	Very high	97.6	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.037	9%	0.094	C	C	.	.	S	Bend	trans	-88.6	-84.8	177	174	81.1	0	0	0	111.1	H188 H190 A248 A254 D272 E445 H446	H188-H250 AromaticContact CD2-CD2 3.82Å; H188-H250 AromaticContact CD2-NE2 3.85Å; H188-H250 AromaticContact NE2-NE2 3.73Å; H190-H250 AromaticContact CE1-NE2 3.2Å; H190-H250 PolarHBondContact CE1-NE2 2.8Å; H190-H250 AromaticContact ND1-NE2 3.55Å; A248-H250 HydrophobicContact CB-CB 4.48Å; A248-H250 PolarHBondContact O-N 2.93Å; H250-A254 HydrophobicContact CB-CB 3.97Å; H250-D272 WeakPolarHBondContact CB-O 3.38Å; H250-E445 WeakPolarHBondContact CA-O 3.4Å; H250-E445 PolarHBondContact ND1-O 3.11Å; H250-E445 WeakPolarHBondContact O-CG 3.34Å; H250-H446 AromaticContact CE1-CE1 3.61Å; H250-H446 AromaticContact CE1-NE2 3.65Å
251	C	94.8	Very high	97.6	Very high	9 Å²	9	13.8 Å²	13.8	6%	0.061	8%	0.078	C	C	.	.	S	Bend	trans	-122.6	164.4	175.1	77.7	0	0	0	0	110.7	G253 A254 I339	C251-G253 PolarHBondContact O-N 2.81Å; C251-G253 VanDerWaalsContact O-N 3.14Å; C251-A254 WeakPolarHBondContact O-CB 3.42Å; C251-A254 PolarHBondContact O-N 3.3Å; C251-I339 HydrophobicContact CB-CD1 4.35Å; C251-I339 WeakPolarHBondContact SG-CD1 3.35Å
252	P	94.7	Very high	97.4	Very high	36 Å²	36	21.3 Å²	21.3	23%	0.234	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	120.8	177.4	-30.3	38.5	0	0	0	112.9	I339 E342 L369	P252-I339 WeakPolarHBondContact O-CD1 3.44Å; P252-E342 WeakPolarHBondContact CD-OE2 3.28Å; P252-E342 HydrophobicContact CG-CB 4.36Å; P252-E342 HydrophobicContact CG-CG 4.24Å; P252-E342 WeakPolarHBondContact CG-OE2 3.36Å; P252-L369 HydrophobicContact CB-CB 4.49Å; P252-L369 HydrophobicContact CB-CD1 3.92Å; P252-L369 HydrophobicContact CB-CD2 3.75Å; P252-L369 HydrophobicContact CB-CG 4.25Å; P252-L369 HydrophobicContact CG-CD1 3.98Å
253	G	96.7	Very high	97.2	Very high	14 Å²	14	26.2 Å²	26.2	14%	0.144	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	0.1	-178	0	0	0	0	0	116.1	S208 T211 C251	S208-G253 WeakPolarHBondContact CB-O 3.42Å; S208-G253 PolarHBondContact OG-O 3.39Å; T211-G253 PolarHBondContact OG1-O 2.98Å; T211-G253 VanDerWaalsContact OG1-O 3.08Å; C251-G253 PolarHBondContact O-N 2.81Å; C251-G253 VanDerWaalsContact O-N 3.14Å
254	A	98.3	Very high	97	Very high	2 Å²	2	28 Å²	28	2%	0.017	15%	0.153	C	C	.	.			trans	-70.4	134.4	175.6	0	0	0	0	0	112.1	S187 H188 A248 H250 C251	S187-A254 WeakPolarHBondContact O-CA 3.41Å; H188-A254 HydrophobicContact CB-CB 3.56Å; A248-A254 HydrophobicContact CB-CB 4.03Å; A248-A254 PolarHBondContact N-O 2.9Å; A248-A254 VanDerWaalsContact N-O 3.08Å; H250-A254 HydrophobicContact CB-CB 3.97Å; C251-A254 WeakPolarHBondContact O-CB 3.42Å; C251-A254 PolarHBondContact O-N 3.3Å
255	V	98.8	Very high	97	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141	-178.5	-68	0	0	0	0	113.6	S187 L231 A245 I246 F257	S187-V255 WeakPolarHBondContact O-CG2 3.44Å; S187-V255 PolarHBondContact O-N 3.05Å; L231-V255 HydrophobicContact CD2-CG1 3.47Å; L231-V255 VanDerWaalsContact CD2-CG1 3.47Å; A245-V255 HydrophobicContact CB-CB 4.33Å; A245-V255 HydrophobicContact CB-CG1 4.38Å; I246-V255 CarbonylContact O-C 3.37Å; I246-V255 WeakPolarHBondContact O-CA 3.5Å; I246-V255 WeakPolarHBondContact O-CB 3.19Å; V255-F257 HydrophobicContact CB-CE1 4.49Å; V255-F257 HydrophobicContact CG2-CD1 4.32Å; V255-F257 HydrophobicContact CG2-CE1 3.5Å; V255-F257 HydrophobicContact CG2-CE2 4.38Å; V255-F257 HydrophobicContact CG2-CZ 3.55Å
256	M	98.9	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	152.3	159.3	-48.8	-174.3	-80	0	0	109.3	A245 I246 A248 L268 H269 T270 F273 I279 W285 F455	A245-M256 WeakPolarHBondContact CA-O 3.39Å; I246-M256 HydrophobicContact CB-CB 4.44Å; I246-M256 HydrophobicContact CB-CE 4.03Å; I246-M256 HydrophobicContact CG2-CE 3.63Å; I246-M256 PolarHBondContact N-O 2.94Å; I246-M256 PolarHBondContact O-N 2.8Å; A248-M256 HydrophobicContact CB-CG 3.99Å; M256-L268 HydrophobicContact CB-CD1 4.08Å; M256-H269 CarbonylContact C-O 3.29Å; M256-H269 VanDerWaalsContact CA-O 3.32Å; M256-H269 WeakPolarHBondContact CA-O 3.42Å; M256-T270 WeakPolarHBondContact CG-O 3.38Å; M256-T270 HydrophobicContact SD-CG2 4.31Å; M256-F273 HydrophobicContact SD-CD2 3.82Å; M256-F273 HydrophobicContact SD-CE2 4.5Å; M256-F273 HydrophobicContact SD-CG 4.49Å; M256-I279 HydrophobicContact CE-CD1 4.2Å; M256-I279 HydrophobicContact CE-CG2 4.2Å; M256-W285 HydrophobicContact CE-CH2 3.9Å; M256-W285 HydrophobicContact CE-CZ2 3.83Å; M256-W285 HydrophobicContact SD-CH2 4.38Å; M256-F455 HydrophobicContact SD-CZ 4.44Å
257	F	98.9	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.3	175	-57.3	-65.1	0	0	0	110.8	V170 F185 L229 V243 M244 A245 V255 F259 L268 H269	V170-F257 HydrophobicContact CG1-CD2 4.23Å; V170-F257 HydrophobicContact CG1-CE2 4.12Å; F185-F257 HydrophobicContact CB-CD2 4.32Å; F185-F257 HydrophobicContact CB-CE2 3.85Å; F185-F257 HydrophobicContact CB-CZ 4.21Å; F185-F257 HydrophobicContact CD1-CD1 4.04Å; F185-F257 HydrophobicContact CD1-CD2 4.21Å; F185-F257 AromaticContact CD1-CE1 3.92Å; F185-F257 HydrophobicContact CD1-CE1 3.92Å; F185-F257 HydrophobicContact CD1-CE2 4.1Å; F185-F257 HydrophobicContact CD1-CG 4.18Å; F185-F257 AromaticContact CD1-CZ 3.95Å; F185-F257 HydrophobicContact CD1-CZ 3.95Å; F185-F257 HydrophobicContact CG-CE2 4.47Å; L229-F257 HydrophobicContact CD1-CD1 4.17Å; L229-F257 HydrophobicContact CD1-CE1 3.87Å; V243-F257 HydrophobicContact CG2-CB 4.26Å; V243-F257 HydrophobicContact CG2-CD1 4.46Å; M244-F257 WeakPolarHBondContact O-CA 3.5Å; A245-F257 HydrophobicContact CB-CD1 4.24Å; A245-F257 HydrophobicContact CB-CE1 4.33Å; V255-F257 HydrophobicContact CB-CE1 4.49Å; V255-F257 HydrophobicContact CG2-CD1 4.32Å; V255-F257 HydrophobicContact CG2-CE1 3.5Å; V255-F257 HydrophobicContact CG2-CE2 4.38Å; V255-F257 HydrophobicContact CG2-CZ 3.55Å; F257-F259 HydrophobicContact CB-CD2 4.13Å; F257-F259 HydrophobicContact CB-CE2 3.47Å; F257-F259 VanDerWaalsContact CB-CE2 3.47Å; F257-F259 HydrophobicContact CB-CZ 3.85Å; F257-F259 HydrophobicContact CD2-CZ 4.48Å; F257-F259 HydrophobicContact CG-CE2 4.29Å; F257-F259 HydrophobicContact CG-CZ 4.27Å; F257-L268 CarbonylContact O-C 3.57Å; F257-L268 WeakPolarHBondContact O-CA 3.35Å; F257-H269 PolarHBondContact N-O 2.86Å; F257-H269 PolarHBondContact O-N 2.85Å
258	I	98.7	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.6	162.2	-63.4	176.9	0	0	0	107.8	W234 V243 M244 I246 L268 V284 W285 I288 I290	W234-I258 HydrophobicContact CH2-CG2 3.86Å; W234-I258 HydrophobicContact CZ3-CG2 4.39Å; V243-I258 CarbonylContact C-O 3.57Å; V243-I258 VanDerWaalsContact CA-O 3.28Å; V243-I258 WeakPolarHBondContact CA-O 3.41Å; M244-I258 HydrophobicContact CE-CD1 4.15Å; M244-I258 PolarHBondContact N-O 3.07Å; M244-I258 PolarHBondContact O-N 3.11Å; I246-I258 HydrophobicContact CD1-CD1 3.53Å; I246-I258 HydrophobicContact CD1-CG1 3.87Å; I258-L268 HydrophobicContact CG1-CD1 3.62Å; I258-V284 HydrophobicContact CD1-CG2 3.78Å; I258-W285 HydrophobicContact CD1-CZ3 4.23Å; I258-I288 HydrophobicContact CD1-CD1 3.84Å; I258-I288 HydrophobicContact CG2-CD1 4.44Å; I258-I288 HydrophobicContact CG2-CG2 4.43Å; I258-I290 HydrophobicContact CD1-CD1 3.91Å; I258-I290 HydrophobicContact CG1-CD1 4.18Å; I258-I290 HydrophobicContact CG2-CD1 4.32Å
259	F	98.7	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.1	168.6	-58.7	-91.6	0	0	0	109.4	I163 C168 V170 F185 T241 A242 V243 F257 N266 I267 H269	I163-F259 HydrophobicContact CD1-CD2 3.99Å; I163-F259 HydrophobicContact CD1-CE2 3.73Å; I163-F259 HydrophobicContact CD1-CZ 4.44Å; I163-F259 HydrophobicContact CG1-CD2 4.04Å; I163-F259 HydrophobicContact CG1-CE1 4.5Å; I163-F259 HydrophobicContact CG1-CE2 3.72Å; I163-F259 HydrophobicContact CG1-CZ 3.98Å; I163-F259 HydrophobicContact CG2-CB 4.14Å; I163-F259 HydrophobicContact CG2-CD1 4.41Å; I163-F259 HydrophobicContact CG2-CD2 4Å; I163-F259 HydrophobicContact CG2-CG 3.94Å; C168-F259 HydrophobicContact CB-CE1 4.19Å; V170-F259 HydrophobicContact CG2-CE2 4.21Å; V170-F259 HydrophobicContact CG2-CZ 4.19Å; F185-F259 HydrophobicContact CD1-CE1 4.06Å; F185-F259 AromaticContact CD1-CZ 3.82Å; F185-F259 HydrophobicContact CD1-CZ 3.82Å; F185-F259 HydrophobicContact CD2-CE1 4.22Å; F185-F259 HydrophobicContact CD2-CZ 4.21Å; F185-F259 AromaticContact CE1-CE1 3.71Å; F185-F259 HydrophobicContact CE1-CE1 3.71Å; F185-F259 AromaticContact CE1-CZ 3.96Å; F185-F259 HydrophobicContact CE1-CZ 3.96Å; F185-F259 AromaticContact CE2-CE1 3.91Å; F185-F259 HydrophobicContact CE2-CE1 3.91Å; F185-F259 HydrophobicContact CE2-CZ 4.36Å; F185-F259 HydrophobicContact CG-CE1 4.32Å; F185-F259 AromaticContact CG-CZ 3.98Å; F185-F259 HydrophobicContact CG-CZ 3.98Å; F185-F259 AromaticContact CZ-CE1 3.67Å; F185-F259 HydrophobicContact CZ-CE1 3.67Å; F185-F259 HydrophobicContact CZ-CZ 4.27Å; T241-F259 HydrophobicContact CG2-CB 4.22Å; T241-F259 HydrophobicContact CG2-CD1 4.22Å; A242-F259 CarbonylContact O-C 3.5Å; A242-F259 WeakPolarHBondContact O-CA 3.32Å; V243-F259 HydrophobicContact CB-CD1 4.05Å; V243-F259 HydrophobicContact CB-CE1 4.29Å; V243-F259 HydrophobicContact CG2-CD1 3.69Å; V243-F259 HydrophobicContact CG2-CE1 3.68Å; V243-F259 HydrophobicContact CG2-CG 4.23Å; V243-F259 HydrophobicContact CG2-CZ 4.2Å; F257-F259 HydrophobicContact CB-CD2 4.13Å; F257-F259 HydrophobicContact CB-CE2 3.47Å; F257-F259 VanDerWaalsContact CB-CE2 3.47Å; F257-F259 HydrophobicContact CB-CZ 3.85Å; F257-F259 HydrophobicContact CD2-CZ 4.48Å; F257-F259 HydrophobicContact CG-CE2 4.29Å; F257-F259 HydrophobicContact CG-CZ 4.27Å; F259-N266 CarbonylContact O-C 3.53Å; F259-N266 WeakPolarHBondContact O-CA 3.37Å; F259-I267 HydrophobicContact CB-CB 4.45Å; F259-I267 PolarHBondContact N-O 2.96Å; F259-I267 PolarHBondContact O-N 2.72Å; F259-H269 HydrophobicContact CE2-CB 4.46Å
260	K	98.3	Very high	97.1	Very high	105 Å²	105	27.9 Å²	27.9	46%	0.457	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.3	166.4	-179.2	172.6	-178.1	178.6	0	108.4	W234 T241 A242 N266	W234-K260 HydrophobicContact CH2-CB 3.81Å; W234-K260 HydrophobicContact CH2-CD 4.49Å; W234-K260 HydrophobicContact CZ3-CB 3.78Å; T241-K260 WeakPolarHBondContact CG2-O 3.49Å; A242-K260 HydrophobicContact CB-CB 4.38Å; A242-K260 PolarHBondContact N-O 3.13Å; A242-K260 PolarHBondContact O-N 2.64Å; K260-N266 WeakPolarHBondContact CG-OD1 3.43Å
261	T	96.3	Very high	97.3	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.049	15%	0.149	C	C	.	.			trans	-77.6	166.6	-174.7	64.2	0	0	0	0	112.3	T166 N263 G264 E265 I267	T166-T261 HydrophobicContact CG2-CG2 3.81Å; T261-N263 VanDerWaalsContact C-N 3.25Å; T261-N263 PolarHBondContact O-N 3.49Å; T261-N263 PolarHBondContact OG1-OD1 3.09Å; T261-G264 PolarHBondContact O-N 3.22Å; T261-E265 PolarHBondContact N-O 3.17Å; T261-E265 WeakPolarHBondContact OG1-CB 3.29Å; T261-E265 PolarHBondContact OG1-N 3.09Å; T261-E265 VanDerWaalsContact OG1-N 3.16Å; T261-E265 PolarHBondContact OG1-O 2.83Å; T261-I267 HydrophobicContact CG2-CD1 3.81Å; T261-I267 HydrophobicContact CG2-CG1 4.28Å
262	K	93	Very high	97.4	Very high	160 Å²	160	27.7 Å²	27.7	70%	0.696	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.9	179.3	-82.6	-178.8	171.7	165.2	0	115.2	D239 G264	D239-K262 WeakPolarHBondContact O-CE 3.38Å; D239-K262 PolarHBondContact O-NZ 3.32Å; K262-G264 VanDerWaalsContact C-N 3.31Å
263	N	92.9	Very high	97.6	Very high	126 Å²	126	26 Å²	26	67%	0.674	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	0.2	176.6	72.6	6.6	0	0	0	112.8	T261 E265	T261-N263 VanDerWaalsContact C-N 3.25Å; T261-N263 PolarHBondContact O-N 3.49Å; T261-N263 PolarHBondContact OG1-OD1 3.09Å; N263-E265 VanDerWaalsContact OD1-CB 3.29Å; N263-E265 WeakPolarHBondContact OD1-CB 3.3Å; N263-E265 PolarHBondContact OD1-N 2.73Å
264	G	94.8	Very high	97.7	Very high	38 Å²	38	25.3 Å²	25.3	39%	0.392	13%	0.131	S	C	.	.	S	Bend	trans	91.1	-1.9	-180	0	0	0	0	0	115.6	T261 K262 N266	T261-G264 PolarHBondContact O-N 3.22Å; K262-G264 VanDerWaalsContact C-N 3.31Å; G264-N266 PolarHBondContact O-N 3.48Å
265	E	97.1	Very high	97.6	Very high	45 Å²	45	25.2 Å²	25.2	21%	0.21	13%	0.13	C	C	.	.			trans	-67.5	126.5	175.3	-167.3	176.9	-143.8	0	0	110.1	T261 N263 I267 D291 V292 R463	T261-E265 PolarHBondContact N-O 3.17Å; T261-E265 WeakPolarHBondContact OG1-CB 3.29Å; T261-E265 PolarHBondContact OG1-N 3.09Å; T261-E265 VanDerWaalsContact OG1-N 3.16Å; T261-E265 PolarHBondContact OG1-O 2.83Å; N263-E265 VanDerWaalsContact OD1-CB 3.29Å; N263-E265 WeakPolarHBondContact OD1-CB 3.3Å; N263-E265 PolarHBondContact OD1-N 2.73Å; E265-I267 HydrophobicContact CG-CD1 4.49Å; E265-I267 HydrophobicContact CG-CG1 4.04Å; E265-D291 WeakPolarHBondContact CA-OD2 3.23Å; E265-D291 HydrophobicContact CG-CB 3.58Å; E265-V292 HydrophobicContact CG-CG2 4.34Å; E265-V292 WeakPolarHBondContact OE1-CG2 3.38Å; E265-R463 IonicContact OE1-NH2 3.39Å; E265-R463 PolarHBondContact OE1-NH2 3.35Å
266	N	98.3	Very high	97.4	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.123	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.6	174.8	-63.7	-47.8	0	0	0	109.7	F259 K260 G264 I288 R289 I290 D291 V292	F259-N266 CarbonylContact O-C 3.53Å; F259-N266 WeakPolarHBondContact O-CA 3.37Å; K260-N266 WeakPolarHBondContact CG-OD1 3.43Å; G264-N266 PolarHBondContact O-N 3.48Å; N266-I288 HydrophobicContact CB-CG2 4.11Å; N266-R289 WeakPolarHBondContact CB-O 3.22Å; N266-R289 PolarHBondContact ND2-O 3.33Å; N266-I290 HydrophobicContact CB-CD1 4.43Å; N266-D291 PolarHBondContact N-OD2 2.86Å; N266-D291 PolarHBondContact O-N 2.78Å; N266-V292 PolarHBondContact O-N 3.4Å
267	I	98.7	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.6	-175.9	-55.9	-178.2	0	0	0	109	I163 P164 F259 T261 E265 V292 F294	I163-I267 HydrophobicContact CD1-CG2 4.47Å; I163-I267 HydrophobicContact CG2-CD1 4.15Å; I163-I267 HydrophobicContact CG2-CG2 4.36Å; P164-I267 HydrophobicContact CB-CD1 4.19Å; P164-I267 HydrophobicContact CG-CD1 4.37Å; F259-I267 HydrophobicContact CB-CB 4.45Å; F259-I267 PolarHBondContact N-O 2.96Å; F259-I267 PolarHBondContact O-N 2.72Å; T261-I267 HydrophobicContact CG2-CD1 3.81Å; T261-I267 HydrophobicContact CG2-CG1 4.28Å; E265-I267 HydrophobicContact CG-CD1 4.49Å; E265-I267 HydrophobicContact CG-CG1 4.04Å; I267-V292 WeakPolarHBondContact CA-O 3.22Å; I267-V292 HydrophobicContact CG1-CB 4.29Å; I267-V292 HydrophobicContact CG1-CG2 4.43Å; I267-V292 HydrophobicContact CG2-CB 4.27Å; I267-F294 HydrophobicContact CG2-CD2 3.77Å; I267-F294 HydrophobicContact CG2-CE2 3.53Å
268	L	98.8	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.7	171.4	178.4	65.4	0	0	0	109.9	M256 F257 I258 W285 I290 V292 V293 F294 F455	M256-L268 HydrophobicContact CB-CD1 4.08Å; F257-L268 CarbonylContact O-C 3.57Å; F257-L268 WeakPolarHBondContact O-CA 3.35Å; I258-L268 HydrophobicContact CG1-CD1 3.62Å; L268-W285 HydrophobicContact CD1-CH2 4.25Å; L268-W285 HydrophobicContact CD1-CZ3 4.34Å; L268-W285 HydrophobicContact CD2-CH2 3.89Å; L268-W285 HydrophobicContact CD2-CZ3 3.77Å; L268-I290 HydrophobicContact CB-CD1 4.26Å; L268-I290 HydrophobicContact CB-CG1 4.41Å; L268-I290 HydrophobicContact CB-CG2 3.74Å; L268-V292 PolarHBondContact N-O 3.3Å; L268-V293 HydrophobicContact CB-CG2 4.19Å; L268-V293 HydrophobicContact CD2-CG1 4.27Å; L268-V293 HydrophobicContact CD2-CG2 4.11Å; L268-V293 CarbonylContact O-C 3.58Å; L268-V293 WeakPolarHBondContact O-CA 3.28Å; L268-F294 PolarHBondContact O-N 2.86Å; L268-F455 HydrophobicContact CD2-CE1 4.3Å; L268-F455 HydrophobicContact CD2-CZ 3.79Å
269	H	98.8	Very high	96.8	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.2	165.4	-173.7	-70.4	0	0	0	108.6	I163 V170 M256 F257 F259 G271 F294	I163-H269 HydrophobicContact CD1-CB 4.37Å; V170-H269 VanDerWaalsContact CG1-CE1 3.48Å; V170-H269 WeakPolarHBondContact CG1-CE1 3.01Å; V170-H269 HydrophobicContact CG2-CB 4.48Å; M256-H269 CarbonylContact C-O 3.29Å; M256-H269 VanDerWaalsContact CA-O 3.32Å; M256-H269 WeakPolarHBondContact CA-O 3.42Å; F257-H269 PolarHBondContact N-O 2.86Å; F257-H269 PolarHBondContact O-N 2.85Å; F259-H269 HydrophobicContact CE2-CB 4.46Å; H269-G271 PolarHBondContact ND1-N 3.41Å; H269-G271 PolarHBondContact O-N 3.42Å; H269-F294 HydrophobicContact CB-CB 4.13Å; H269-F294 WeakPolarHBondContact CD2-CB 3.47Å; H269-F294 AromaticContact CD2-CG 3.82Å
270	T	98.8	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.			trans	-67.7	-26.7	-175.4	56	0	0	0	0	112.8	M256 F273 V293 F294 L295 D296 F455	M256-T270 WeakPolarHBondContact CG-O 3.38Å; M256-T270 HydrophobicContact SD-CG2 4.31Å; T270-F273 HydrophobicContact CG2-CD1 4.04Å; T270-F273 HydrophobicContact CG2-CD2 4.13Å; T270-F273 HydrophobicContact CG2-CE1 3.98Å; T270-F273 HydrophobicContact CG2-CE2 4.06Å; T270-F273 HydrophobicContact CG2-CG 4.13Å; T270-F273 HydrophobicContact CG2-CZ 4Å; T270-V293 HydrophobicContact CG2-CG1 4.29Å; T270-F294 PolarHBondContact N-O 3.45Å; T270-F294 PolarHBondContact OG1-O 3.42Å; T270-L295 HydrophobicContact CG2-CD1 4.07Å; T270-D296 PolarHBondContact OG1-N 2.98Å; T270-F455 HydrophobicContact CG2-CE1 4.05Å; T270-F455 HydrophobicContact CG2-CZ 4.33Å
271	G	98.5	Very high	96.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	19%	0.187	C	C	.	.			trans	59.7	-141.3	-154.3	0	0	0	0	0	107.7	H269	H269-G271 PolarHBondContact ND1-N 3.41Å; H269-G271 PolarHBondContact O-N 3.42Å
272	D	98.4	Very high	96.5	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	19%	0.194	C	C	.	.	S	Bend	trans	-99.7	132.8	169.6	-68.8	18	0	0	0	108.6	H188 H193 H250 H446	H188-D272 IonicContact CE1-OD2 2.79Å; H193-D272 IonicContact CE1-OD1 3.76Å; H193-D272 PolarHBondContact CE1-OD1 3.45Å; H193-D272 IonicContact CE1-OD2 2.63Å; H193-D272 IonicContact NE2-OD1 3.93Å; H193-D272 IonicContact NE2-OD2 3.74Å; H193-D272 PolarHBondContact NE2-OD2 3.08Å; H250-D272 WeakPolarHBondContact CB-O 3.38Å; D272-H446 IonicContact OD2-CE1 3.2Å; D272-H446 PolarHBondContact OD2-CE1 3.23Å; D272-H446 VanDerWaalsContact OD2-CE1 3.24Å; D272-H446 IonicContact OD2-ND1 2.72Å
273	F	98.5	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.			trans	-151.6	151.9	-165.7	89.2	-49.8	0	0	0	113.3	A248 M256 T270 A275 I279 L295 D296 H446 S447 L452 F455	A248-F273 HydrophobicContact CB-CB 3.92Å; A248-F273 WeakPolarHBondContact O-CA 3.44Å; A248-F273 WeakPolarHBondContact O-CB 3.18Å; M256-F273 HydrophobicContact SD-CD2 3.82Å; M256-F273 HydrophobicContact SD-CE2 4.5Å; M256-F273 HydrophobicContact SD-CG 4.49Å; T270-F273 HydrophobicContact CG2-CD1 4.04Å; T270-F273 HydrophobicContact CG2-CD2 4.13Å; T270-F273 HydrophobicContact CG2-CE1 3.98Å; T270-F273 HydrophobicContact CG2-CE2 4.06Å; T270-F273 HydrophobicContact CG2-CG 4.13Å; T270-F273 HydrophobicContact CG2-CZ 4Å; F273-A275 HydrophobicContact CD2-CB 4.45Å; F273-A275 HydrophobicContact CE2-CB 3.81Å; F273-A275 HydrophobicContact CZ-CB 4.15Å; F273-I279 HydrophobicContact CD2-CG2 4.36Å; F273-I279 HydrophobicContact CE2-CG2 4.44Å; F273-L295 HydrophobicContact CE1-CD1 3.8Å; F273-L295 HydrophobicContact CZ-CD1 3.79Å; F273-D296 HydrophobicContact CD1-CB 3.64Å; F273-D296 HydrophobicContact CE1-CB 3.91Å; F273-D296 PolarHBondContact N-OD2 3.05Å; F273-H446 CarbonylContact O-C 3.08Å; F273-H446 WeakPolarHBondContact O-CA 3.08Å; F273-S447 WeakPolarHBondContact CE1-OG 3.44Å; F273-S447 PolarHBondContact O-N 2.8Å; F273-S447 PolarHBondContact O-OG 3.33Å; F273-L452 HydrophobicContact CE1-CD2 3.73Å; F273-L452 HydrophobicContact CZ-CD2 3.98Å; F273-F455 HydrophobicContact CD2-CZ 4.45Å; F273-F455 AromaticContact CE2-CD1 3.61Å; F273-F455 HydrophobicContact CE2-CD1 3.61Å; F273-F455 AromaticContact CE2-CD2 3.89Å; F273-F455 HydrophobicContact CE2-CD2 3.89Å; F273-F455 AromaticContact CE2-CE1 3.52Å; F273-F455 HydrophobicContact CE2-CE1 3.52Å; F273-F455 AromaticContact CE2-CE2 3.81Å; F273-F455 HydrophobicContact CE2-CE2 3.81Å; F273-F455 AromaticContact CE2-CG 3.77Å; F273-F455 HydrophobicContact CE2-CG 3.77Å; F273-F455 AromaticContact CE2-CZ 3.61Å; F273-F455 HydrophobicContact CE2-CZ 3.61Å; F273-F455 AromaticContact CZ-CD1 3.48Å; F273-F455 HydrophobicContact CZ-CD1 3.48Å; F273-F455 VanDerWaalsContact CZ-CD1 3.48Å; F273-F455 AromaticContact CZ-CE1 3.63Å; F273-F455 HydrophobicContact CZ-CE1 3.63Å; F273-F455 AromaticContact CZ-CG 3.94Å; F273-F455 HydrophobicContact CZ-CG 3.94Å; F273-F455 HydrophobicContact CZ-CZ 4.21Å
274	R	97.8	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.			trans	-118.7	105.8	171.5	-163.9	176.7	176.3	173	-10.3	112.7	A248 N249 E276 I279 P307 S444 S447 E451	A248-R274 PolarHBondContact O-N 2.96Å; N249-R274 PolarHBondContact ND2-O 3.18Å; N249-R274 VanDerWaalsContact ND2-O 3.13Å; R274-E276 HydrophobicContact CG-CG 4.06Å; R274-E276 IonicContact CZ-OE1 2.73Å; R274-E276 IonicContact NE-OE1 3.87Å; R274-E276 IonicContact NH1-OE1 3.41Å; R274-E276 IonicContact NH2-OE1 3.06Å; R274-E276 PolarHBondContact O-N 3.21Å; R274-I279 VanDerWaalsContact O-CG1 3.31Å; R274-I279 WeakPolarHBondContact O-CG1 3.21Å; R274-P307 PolarHBondContact NH1-O 3.5Å; R274-P307 PolarHBondContact NH2-O 2.95Å; R274-S444 WeakPolarHBondContact CD-O 3.19Å; R274-S444 PolarHBondContact NH1-O 2.73Å; R274-S447 WeakPolarHBondContact CA-OG 3.44Å; R274-E451 WeakPolarHBondContact CG-OE2 3.3Å; R274-E451 IonicContact CZ-OE1 3.92Å; R274-E451 IonicContact CZ-OE2 3.93Å; R274-E451 IonicContact NE-OE1 3.24Å; R274-E451 PolarHBondContact NE-OE1 2.89Å; R274-E451 IonicContact NE-OE2 3.4Å; R274-E451 PolarHBondContact NE-OE2 2.97Å; R274-E451 IonicContact NH2-OE1 2.73Å; R274-E451 PolarHBondContact NH2-OE1 3.44Å; R274-E451 IonicContact NH2-OE2 3.14Å
275	A	97.4	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.			trans	-73.4	48.4	-179.4	0	0	0	0	0	114.6	F273 L280 S447 E451 F455	F273-A275 HydrophobicContact CD2-CB 4.45Å; F273-A275 HydrophobicContact CE2-CB 3.81Å; F273-A275 HydrophobicContact CZ-CB 4.15Å; A275-L280 HydrophobicContact CB-CD2 4.05Å; A275-L280 WeakPolarHBondContact O-CG 3.49Å; A275-S447 WeakPolarHBondContact CB-OG 3.44Å; A275-S447 PolarHBondContact N-OG 3.13Å; A275-E451 HydrophobicContact CB-CB 4.16Å; A275-F455 HydrophobicContact CB-CB 3.87Å; A275-F455 HydrophobicContact CB-CD2 4.37Å; A275-F455 HydrophobicContact CB-CG 4.26Å
276	E	94.5	Very high	96.8	Very high	21 Å²	21	32.7 Å²	32.7	10%	0.098	17%	0.165	C	C	.	.	S	Bend	trans	-66.2	170.9	161.3	-67.8	-178.4	151.2	0	0	110.6	N249 R274 I278 I279 L280 E308 Q309 R343	N249-E276 PolarHBondContact ND2-OE2 3.13Å; R274-E276 HydrophobicContact CG-CG 4.06Å; R274-E276 IonicContact CZ-OE1 2.73Å; R274-E276 IonicContact NE-OE1 3.87Å; R274-E276 IonicContact NH1-OE1 3.41Å; R274-E276 IonicContact NH2-OE1 3.06Å; R274-E276 PolarHBondContact O-N 3.21Å; E276-I278 PolarHBondContact O-N 3.06Å; E276-I279 PolarHBondContact O-N 3.02Å; E276-L280 PolarHBondContact O-N 2.64Å; E276-E308 WeakPolarHBondContact OE1-CA 3.49Å; E276-Q309 WeakPolarHBondContact OE1-CB 3.43Å; E276-Q309 WeakPolarHBondContact OE1-CG 3.13Å; E276-Q309 PolarHBondContact OE1-N 2.69Å; E276-R343 IonicContact OE2-NH1 3.79Å
277	N	93.7	Very high	96.6	Very high	49 Å²	49	38.3 Å²	38.3	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-53.2	-29.9	-173.5	-49.6	-61.6	0	0	0	114.2	I279 L280 Q281 E308	N277-I279 VanDerWaalsContact C-N 3.26Å; N277-I279 PolarHBondContact O-N 3.18Å; N277-L280 PolarHBondContact O-N 3.06Å; N277-Q281 VanDerWaalsContact O-CB 3.22Å; N277-Q281 WeakPolarHBondContact O-CB 3.49Å; N277-Q281 VanDerWaalsContact O-CG 3.28Å; N277-Q281 WeakPolarHBondContact O-CG 3.41Å; N277-Q281 PolarHBondContact O-N 2.87Å; N277-E308 PolarHBondContact ND2-OE1 2.75Å
278	I	92.5	Very high	96.5	Very high	85 Å²	85	39.1 Å²	39.1	44%	0.436	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-29.3	175.6	-166.8	169.6	0	0	0	113.7	M1 N249 E276	M1-I278 HydrophobicContact CE-CD1 4.11Å; M1-I278 HydrophobicContact SD-CD1 4.3Å; N249-I278 HydrophobicContact CB-CG2 4.06Å; E276-I278 PolarHBondContact O-N 3.06Å
279	I	97.1	Very high	96.4	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-84.2	-46.6	171.6	-59.2	-56.7	0	0	0	109.9	D247 N249 M256 F273 R274 E276 N277 Q281 N282 W285 F455	D247-I279 WeakPolarHBondContact O-CD1 3.31Å; N249-I279 HydrophobicContact CB-CD1 3.9Å; N249-I279 HydrophobicContact CB-CG1 3.94Å; M256-I279 HydrophobicContact CE-CD1 4.2Å; M256-I279 HydrophobicContact CE-CG2 4.2Å; F273-I279 HydrophobicContact CD2-CG2 4.36Å; F273-I279 HydrophobicContact CE2-CG2 4.44Å; R274-I279 VanDerWaalsContact O-CG1 3.31Å; R274-I279 WeakPolarHBondContact O-CG1 3.21Å; E276-I279 PolarHBondContact O-N 3.02Å; N277-I279 VanDerWaalsContact C-N 3.26Å; N277-I279 PolarHBondContact O-N 3.18Å; I279-Q281 VanDerWaalsContact C-N 3.26Å; I279-Q281 PolarHBondContact O-N 2.85Å; I279-N282 WeakPolarHBondContact O-CB 3.35Å; I279-N282 PolarHBondContact O-N 3.03Å; I279-W285 HydrophobicContact CG2-CZ2 4.36Å; I279-W285 PolarHBondContact O-NE1 3.48Å; I279-F455 HydrophobicContact CG2-CD2 4Å; I279-F455 HydrophobicContact CG2-CE2 3.81Å
280	L	96	Very high	96.4	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-30.5	-176	-56.2	179.8	0	0	0	113.1	A275 E276 N277 R454 F455 I458	A275-L280 HydrophobicContact CB-CD2 4.05Å; A275-L280 WeakPolarHBondContact O-CG 3.49Å; E276-L280 PolarHBondContact O-N 2.64Å; N277-L280 PolarHBondContact O-N 3.06Å; L280-R454 HydrophobicContact CD1-CB 4Å; L280-R454 HydrophobicContact CD2-CB 4.22Å; L280-F455 HydrophobicContact CD2-CB 3.91Å; L280-F455 HydrophobicContact CD2-CD2 4.23Å; L280-I458 HydrophobicContact CB-CD1 3.92Å; L280-I458 HydrophobicContact CD2-CD1 4.19Å
281	Q	95.3	Very high	96.4	Very high	158 Å²	158	48 Å²	48	74%	0.738	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	11.1	-179	-62.6	176.1	-30.1	0	0	113.5	N277 I279 S283	N277-Q281 VanDerWaalsContact O-CB 3.22Å; N277-Q281 WeakPolarHBondContact O-CB 3.49Å; N277-Q281 VanDerWaalsContact O-CG 3.28Å; N277-Q281 WeakPolarHBondContact O-CG 3.41Å; N277-Q281 PolarHBondContact O-N 2.87Å; I279-Q281 VanDerWaalsContact C-N 3.26Å; I279-Q281 PolarHBondContact O-N 2.85Å; Q281-S283 PolarHBondContact O-N 3.39Å
282	N	95.9	Very high	96.4	Very high	38 Å²	38	48 Å²	48	20%	0.203	23%	0.229	C	C	.	.			trans	-73	119.3	176	-170.5	-25.8	0	0	0	110	I246 I279 V284 W285	I246-N282 WeakPolarHBondContact CG2-ND2 3.47Å; I279-N282 WeakPolarHBondContact O-CB 3.35Å; I279-N282 PolarHBondContact O-N 3.03Å; N282-V284 HydrophobicContact CB-CG1 4.04Å; N282-V284 VanDerWaalsContact CG-CG1 3.46Å; N282-V284 PolarHBondContact O-N 3.2Å; N282-V284 WeakPolarHBondContact OD1-CB 3.44Å; N282-V284 VanDerWaalsContact OD1-CG1 3.28Å; N282-V284 WeakPolarHBondContact OD1-CG1 3.31Å; N282-V284 PolarHBondContact OD1-N 3.37Å; N282-V284 VanDerWaalsContact OD1-N 3.16Å; N282-W285 PolarHBondContact O-N 3.06Å
283	S	96	Very high	96.4	Very high	59 Å²	59	47.5 Å²	47.5	41%	0.413	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.8	-176.4	54.6	0	0	0	0	114.4	Q281 W285 E286 Q287	Q281-S283 PolarHBondContact O-N 3.39Å; S283-W285 PolarHBondContact O-N 2.99Å; S283-E286 WeakPolarHBondContact O-CB 3.25Å; S283-E286 PolarHBondContact O-N 3.35Å; S283-Q287 WeakPolarHBondContact O-CG 3.45Å; S283-Q287 PolarHBondContact O-N 2.95Å
284	V	96.5	Very high	96.4	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-55.3	-30.9	170.9	72.2	0	0	0	0	113.3	M244 I246 I258 N282 E286 Q287 I288	M244-V284 HydrophobicContact CE-CG2 3.55Å; I246-V284 HydrophobicContact CD1-CG1 4.04Å; I246-V284 HydrophobicContact CD1-CG2 4.05Å; I258-V284 HydrophobicContact CD1-CG2 3.78Å; N282-V284 HydrophobicContact CB-CG1 4.04Å; N282-V284 VanDerWaalsContact CG-CG1 3.46Å; N282-V284 PolarHBondContact O-N 3.2Å; N282-V284 WeakPolarHBondContact OD1-CB 3.44Å; N282-V284 VanDerWaalsContact OD1-CG1 3.28Å; N282-V284 WeakPolarHBondContact OD1-CG1 3.31Å; N282-V284 PolarHBondContact OD1-N 3.37Å; N282-V284 VanDerWaalsContact OD1-N 3.16Å; V284-E286 VanDerWaalsContact C-N 3.3Å; V284-E286 PolarHBondContact O-N 2.92Å; V284-Q287 PolarHBondContact O-N 2.77Å; V284-I288 HydrophobicContact CG2-CD1 3.67Å; V284-I288 HydrophobicContact CG2-CG1 4.2Å; V284-I288 PolarHBondContact O-N 3.06Å
285	W	96.7	Very high	96.4	Very high	25 Å²	25	47.6 Å²	47.6	10%	0.095	23%	0.227	C	C	.	.	H	α-helix	trans	-72.2	-23.1	178.5	-46	129.7	0	0	0	113.2	I246 M256 I258 L268 I279 N282 S283 I290 F455 I458 V459	I246-W285 HydrophobicContact CD1-CH2 4.23Å; M256-W285 HydrophobicContact CE-CH2 3.9Å; M256-W285 HydrophobicContact CE-CZ2 3.83Å; M256-W285 HydrophobicContact SD-CH2 4.38Å; I258-W285 HydrophobicContact CD1-CZ3 4.23Å; L268-W285 HydrophobicContact CD1-CH2 4.25Å; L268-W285 HydrophobicContact CD1-CZ3 4.34Å; L268-W285 HydrophobicContact CD2-CH2 3.89Å; L268-W285 HydrophobicContact CD2-CZ3 3.77Å; I279-W285 HydrophobicContact CG2-CZ2 4.36Å; I279-W285 PolarHBondContact O-NE1 3.48Å; N282-W285 PolarHBondContact O-N 3.06Å; S283-W285 PolarHBondContact O-N 2.99Å; W285-I290 HydrophobicContact CE3-CG1 4.5Å; W285-I290 HydrophobicContact CZ3-CG1 4.49Å; W285-F455 HydrophobicContact CH2-CE2 4.14Å; W285-F455 HydrophobicContact CH2-CZ 4.23Å; W285-F455 AromaticContact CZ2-CE2 3.69Å; W285-F455 HydrophobicContact CZ2-CE2 3.69Å; W285-F455 HydrophobicContact CZ2-CZ 4.24Å; W285-I458 HydrophobicContact CB-CG2 4.03Å; W285-I458 HydrophobicContact CG-CG2 4.16Å; W285-V459 HydrophobicContact CD2-CG2 3.94Å; W285-V459 HydrophobicContact CE3-CG2 3.91Å; W285-V459 HydrophobicContact CG-CG2 4.34Å; W285-V459 HydrophobicContact CZ3-CG2 4.4Å
286	E	94.2	Very high	96.5	Very high	176 Å²	176	47.7 Å²	47.7	82%	0.822	23%	0.227	S	C	*	.	H	α-helix	trans	-82.7	-28.5	173.3	-56.7	176.8	158.3	0	0	111.1	S283 V284	S283-E286 WeakPolarHBondContact O-CB 3.25Å; S283-E286 PolarHBondContact O-N 3.35Å; V284-E286 VanDerWaalsContact C-N 3.3Å; V284-E286 PolarHBondContact O-N 2.92Å
287	Q	95.2	Very high	96.6	Very high	142 Å²	142	46.7 Å²	46.7	66%	0.664	22%	0.223	S	C	*	.	H	α-helix	trans	-88	-30.6	-176.5	-64.8	168.1	19	0	0	113.5	S283 V284	S283-Q287 WeakPolarHBondContact O-CG 3.45Å; S283-Q287 PolarHBondContact O-N 2.95Å; V284-Q287 PolarHBondContact O-N 2.77Å
288	I	96.3	Very high	96.7	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.087	22%	0.219	C	C	.	.			trans	-128.2	107.8	-173.5	-50.2	177.2	0	0	0	110.2	W234 M244 I258 N266 V284 I290	W234-I288 HydrophobicContact CH2-CD1 4.12Å; W234-I288 HydrophobicContact CZ2-CD1 3.49Å; W234-I288 VanDerWaalsContact CZ2-CD1 3.49Å; W234-I288 HydrophobicContact CZ2-CG1 4.45Å; M244-I288 HydrophobicContact CE-CD1 3.49Å; M244-I288 VanDerWaalsContact CE-CD1 3.49Å; I258-I288 HydrophobicContact CD1-CD1 3.84Å; I258-I288 HydrophobicContact CG2-CD1 4.44Å; I258-I288 HydrophobicContact CG2-CG2 4.43Å; N266-I288 HydrophobicContact CB-CG2 4.11Å; V284-I288 HydrophobicContact CG2-CD1 3.67Å; V284-I288 HydrophobicContact CG2-CG1 4.2Å; V284-I288 PolarHBondContact O-N 3.06Å; I288-I290 HydrophobicContact CB-CD1 4.43Å; I288-I290 HydrophobicContact CG2-CD1 3.85Å; I288-I290 PolarHBondContact O-N 2.66Å
289	R	97.1	Very high	96.8	Very high	181 Å²	181	43.5 Å²	43.5	68%	0.683	21%	0.205	S	C	*	.			trans	-66	114.3	165.5	-176.1	-178.8	-173.1	171.9	5.7	109.5	N266	N266-R289 WeakPolarHBondContact CB-O 3.22Å; N266-R289 PolarHBondContact ND2-O 3.33Å
290	I	98.2	Very high	96.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.208	C	C	.	.			trans	-82.2	135.1	174.9	-53.7	-56.9	0	0	0	110.1	I258 N266 L268 W285 I288 V292 V293 V459	I258-I290 HydrophobicContact CD1-CD1 3.91Å; I258-I290 HydrophobicContact CG1-CD1 4.18Å; I258-I290 HydrophobicContact CG2-CD1 4.32Å; N266-I290 HydrophobicContact CB-CD1 4.43Å; L268-I290 HydrophobicContact CB-CD1 4.26Å; L268-I290 HydrophobicContact CB-CG1 4.41Å; L268-I290 HydrophobicContact CB-CG2 3.74Å; W285-I290 HydrophobicContact CE3-CG1 4.5Å; W285-I290 HydrophobicContact CZ3-CG1 4.49Å; I288-I290 HydrophobicContact CB-CD1 4.43Å; I288-I290 HydrophobicContact CG2-CD1 3.85Å; I288-I290 PolarHBondContact O-N 2.66Å; I290-V292 VanDerWaalsContact CG2-O 3.27Å; I290-V292 WeakPolarHBondContact CG2-O 3.36Å; I290-V293 HydrophobicContact CG2-CG2 3.67Å; I290-V459 HydrophobicContact CB-CG1 3.67Å; I290-V459 HydrophobicContact CG1-CG1 3.65Å; I290-V459 HydrophobicContact CG2-CG1 4.21Å
291	D	98.2	Very high	96.5	Very high	13 Å²	13	46 Å²	46	7%	0.07	22%	0.22	C	C	.	.	S	Bend	trans	-93.5	-44.1	176.2	-64.4	-68.7	0	0	0	111.4	E265 N266 K462 R463	E265-D291 WeakPolarHBondContact CA-OD2 3.23Å; E265-D291 HydrophobicContact CG-CB 3.58Å; N266-D291 PolarHBondContact N-OD2 2.86Å; N266-D291 PolarHBondContact O-N 2.78Å; D291-K462 HydrophobicContact CB-CD 4.25Å; D291-K462 WeakPolarHBondContact O-CA 3.42Å; D291-K462 WeakPolarHBondContact O-CB 3.28Å; D291-K462 PolarHBondContact O-N 3.21Å; D291-K462 WeakPolarHBondContact OD1-CD 3.5Å; D291-K462 WeakPolarHBondContact OD1-CE 3.39Å; D291-K462 IonicContact OD1-NZ 2.64Å; D291-K462 PolarHBondContact OD1-NZ 3.48Å; D291-R463 PolarHBondContact O-N 3.35Å; D291-R463 VanDerWaalsContact O-N 3.08Å
292	V	98.3	Very high	96.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133	-176.9	-171.3	0	0	0	0	110.1	E265 N266 I267 L268 I290 F294 R463 I465	E265-V292 HydrophobicContact CG-CG2 4.34Å; E265-V292 WeakPolarHBondContact OE1-CG2 3.38Å; N266-V292 PolarHBondContact O-N 3.4Å; I267-V292 WeakPolarHBondContact CA-O 3.22Å; I267-V292 HydrophobicContact CG1-CB 4.29Å; I267-V292 HydrophobicContact CG1-CG2 4.43Å; I267-V292 HydrophobicContact CG2-CB 4.27Å; L268-V292 PolarHBondContact N-O 3.3Å; I290-V292 VanDerWaalsContact CG2-O 3.27Å; I290-V292 WeakPolarHBondContact CG2-O 3.36Å; V292-F294 HydrophobicContact CG1-CD2 4.12Å; V292-F294 HydrophobicContact CG1-CE2 3.82Å; V292-R463 WeakPolarHBondContact CA-O 3.46Å; V292-R463 VanDerWaalsContact CG2-NH2 3.34Å; V292-I465 HydrophobicContact CG1-CD1 3.82Å; V292-I465 HydrophobicContact CG1-CG1 4.29Å
293	V	98.5	Very high	95.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.9	170.6	-178.9	0	0	0	0	110.1	L268 T270 I290 L295 V459 P461 R463 I464 I465	L268-V293 HydrophobicContact CB-CG2 4.19Å; L268-V293 HydrophobicContact CD2-CG1 4.27Å; L268-V293 HydrophobicContact CD2-CG2 4.11Å; L268-V293 CarbonylContact O-C 3.58Å; L268-V293 WeakPolarHBondContact O-CA 3.28Å; T270-V293 HydrophobicContact CG2-CG1 4.29Å; I290-V293 HydrophobicContact CG2-CG2 3.67Å; V293-L295 HydrophobicContact CG1-CB 3.99Å; V293-L295 HydrophobicContact CG1-CD1 4.12Å; V293-V459 HydrophobicContact CG2-CG1 3.94Å; V293-P461 HydrophobicContact CB-CB 4.37Å; V293-P461 HydrophobicContact CB-CG 4.31Å; V293-P461 HydrophobicContact CG2-CB 3.61Å; V293-P461 HydrophobicContact CG2-CG 3.73Å; V293-R463 PolarHBondContact N-O 3.12Å; V293-I464 CarbonylContact O-C 3.52Å; V293-I464 WeakPolarHBondContact O-CA 3.46Å; V293-I465 PolarHBondContact O-N 2.92Å
294	F	98.7	Very high	95.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	113.5	161.9	-67.9	-114.9	0	0	0	107.2	F160 F162 P164 I267 L268 H269 T270 V292 I465 T467	F160-F294 VanDerWaalsContact O-CD1 3.27Å; F160-F294 WeakPolarHBondContact O-CD1 3.38Å; F160-F294 WeakPolarHBondContact O-CE1 3.22Å; F162-F294 WeakPolarHBondContact O-CZ 3.22Å; P164-F294 HydrophobicContact CG-CZ 4.26Å; I267-F294 HydrophobicContact CG2-CD2 3.77Å; I267-F294 HydrophobicContact CG2-CE2 3.53Å; L268-F294 PolarHBondContact O-N 2.86Å; H269-F294 HydrophobicContact CB-CB 4.13Å; H269-F294 WeakPolarHBondContact CD2-CB 3.47Å; H269-F294 AromaticContact CD2-CG 3.82Å; T270-F294 PolarHBondContact N-O 3.45Å; T270-F294 PolarHBondContact OG1-O 3.42Å; V292-F294 HydrophobicContact CG1-CD2 4.12Å; V292-F294 HydrophobicContact CG1-CE2 3.82Å; F294-I465 CarbonylContact C-O 2.92Å; F294-I465 VanDerWaalsContact CA-O 3.3Å; F294-I465 WeakPolarHBondContact CA-O 3.41Å; F294-I465 HydrophobicContact CD1-CB 4.2Å; F294-I465 HydrophobicContact CD1-CD1 4.48Å; F294-I465 HydrophobicContact CD1-CG2 3.93Å; F294-I465 HydrophobicContact CD2-CD1 4.43Å; F294-I465 HydrophobicContact CE1-CB 4.47Å; F294-I465 HydrophobicContact CE1-CD1 3.98Å; F294-I465 HydrophobicContact CE1-CG2 4.08Å; F294-I465 HydrophobicContact CE2-CD1 3.88Å; F294-I465 HydrophobicContact CG-CB 4.32Å; F294-I465 HydrophobicContact CZ-CD1 3.63Å; F294-T467 HydrophobicContact CB-CG2 4Å
295	L	98.7	Very high	95.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.7	-158.5	-174	61.5	0	0	0	113	T270 F273 V293 T297 L452 F455 V456 I464 I465 T467 F483	T270-L295 HydrophobicContact CG2-CD1 4.07Å; F273-L295 HydrophobicContact CE1-CD1 3.8Å; F273-L295 HydrophobicContact CZ-CD1 3.79Å; V293-L295 HydrophobicContact CG1-CB 3.99Å; V293-L295 HydrophobicContact CG1-CD1 4.12Å; L295-T297 HydrophobicContact CB-CG2 4.49Å; L295-T297 HydrophobicContact CD2-CG2 4.36Å; L295-T297 HydrophobicContact CG-CG2 4.25Å; L295-T297 WeakPolarHBondContact O-CG2 3.38Å; L295-T297 PolarHBondContact O-N 3.29Å; L295-T297 PolarHBondContact O-OG1 3.3Å; L295-L452 HydrophobicContact CD1-CD2 4.22Å; L295-F455 HydrophobicContact CD1-CD1 4.14Å; L295-F455 HydrophobicContact CD1-CE1 4.14Å; L295-V456 HydrophobicContact CD2-CG2 3.91Å; L295-I464 HydrophobicContact CB-CG2 4Å; L295-I464 HydrophobicContact CD2-CG2 3.75Å; L295-I465 PolarHBondContact N-O 2.87Å; L295-T467 PolarHBondContact O-N 3.45Å; L295-T467 VanDerWaalsContact O-N 3.08Å; L295-T467 PolarHBondContact O-OG1 3.4Å; L295-T467 VanDerWaalsContact O-OG1 3.05Å; L295-F483 HydrophobicContact CD2-CE1 3.99Å; L295-F483 HydrophobicContact CD2-CZ 4.32Å
296	D	98.3	Very high	94.8	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.011	23%	0.227	C	C	.	.			trans	-52.3	122.2	162.5	-178.4	-5.2	0	0	0	109.3	T270 F273 T298 H446 L452	T270-D296 PolarHBondContact OG1-N 2.98Å; F273-D296 HydrophobicContact CD1-CB 3.64Å; F273-D296 HydrophobicContact CE1-CB 3.91Å; F273-D296 PolarHBondContact N-OD2 3.05Å; D296-T298 VanDerWaalsContact OD1-CB 3.23Å; D296-T298 WeakPolarHBondContact OD1-CB 3.3Å; D296-T298 PolarHBondContact OD1-N 3.33Å; D296-T298 PolarHBondContact OD1-OG1 3.49Å; D296-H446 IonicContact OD1-ND1 2.81Å; D296-H446 IonicContact OD2-CE1 3.56Å; D296-H446 IonicContact OD2-CG 2.71Å; D296-H446 IonicContact OD2-ND1 3.13Å; D296-H446 PolarHBondContact OD2-ND1 3.38Å; D296-L452 WeakPolarHBondContact O-CD2 3.22Å
297	T	97.4	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.			trans	-129.9	17.8	-168.8	22.6	0	0	0	0	111.4	L295 Y299 C300 P466 T467 V468 N469 M479 F483	L295-T297 HydrophobicContact CB-CG2 4.49Å; L295-T297 HydrophobicContact CD2-CG2 4.36Å; L295-T297 HydrophobicContact CG-CG2 4.25Å; L295-T297 WeakPolarHBondContact O-CG2 3.38Å; L295-T297 PolarHBondContact O-N 3.29Å; L295-T297 PolarHBondContact O-OG1 3.3Å; T297-Y299 VanDerWaalsContact C-N 3.29Å; T297-Y299 PolarHBondContact O-N 2.83Å; T297-C300 HydrophobicContact CG2-CB 4Å; T297-C300 WeakPolarHBondContact O-CB 3.46Å; T297-C300 PolarHBondContact O-N 2.86Å; T297-P466 HydrophobicContact CG2-CB 3.93Å; T297-P466 WeakPolarHBondContact OG1-CB 3.3Å; T297-T467 PolarHBondContact OG1-N 3.06Å; T297-V468 PolarHBondContact OG1-N 3.01Å; T297-V468 VanDerWaalsContact OG1-N 3.07Å; T297-V468 PolarHBondContact OG1-O 3.1Å; T297-N469 PolarHBondContact O-ND2 2.92Å; T297-M479 HydrophobicContact CG2-SD 3.8Å; T297-F483 HydrophobicContact CG2-CE1 4.31Å; T297-F483 HydrophobicContact CG2-CZ 3.75Å
298	T	95.4	Very high	94.4	Very high	30 Å²	30	35.9 Å²	35.9	18%	0.184	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-47.7	179.5	-60.6	0	0	0	0	111.8	D296 N469	D296-T298 VanDerWaalsContact OD1-CB 3.23Å; D296-T298 WeakPolarHBondContact OD1-CB 3.3Å; D296-T298 PolarHBondContact OD1-N 3.33Å; D296-T298 PolarHBondContact OD1-OG1 3.49Å; T298-N469 PolarHBondContact O-ND2 2.88Å; T298-N469 VanDerWaalsContact O-ND2 3.12Å
299	Y	94.3	Very high	94.2	Very high	37 Å²	37	35.1 Å²	35.1	15%	0.145	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	34.6	-178.7	-63.8	-50.5	0	0	0	113.6	T297 N301 Y304 F306 W417 S444 H446	T297-Y299 VanDerWaalsContact C-N 3.29Å; T297-Y299 PolarHBondContact O-N 2.83Å; Y299-N301 PolarHBondContact O-N 2.91Å; Y299-Y304 AromaticContact CD1-CD1 3.96Å; Y299-Y304 HydrophobicContact CD1-CD1 3.96Å; Y299-Y304 AromaticContact CD1-CD2 3.67Å; Y299-Y304 HydrophobicContact CD1-CD2 3.67Å; Y299-Y304 HydrophobicContact CD1-CE1 4.31Å; Y299-Y304 HydrophobicContact CD1-CE2 4.03Å; Y299-Y304 AromaticContact CD1-CG 3.62Å; Y299-Y304 HydrophobicContact CD1-CG 3.62Å; Y299-Y304 HydrophobicContact CE1-CD1 4.47Å; Y299-Y304 HydrophobicContact CG-CD2 4.27Å; Y299-Y304 HydrophobicContact CG-CG 4.2Å; Y299-F306 AromaticContact CD2-CE1 3.57Å; Y299-F306 HydrophobicContact CD2-CE1 3.57Å; Y299-F306 AromaticContact CD2-CZ 3.62Å; Y299-F306 HydrophobicContact CD2-CZ 3.62Å; Y299-F306 AromaticContact CE2-CE1 3.98Å; Y299-F306 HydrophobicContact CE2-CE1 3.98Å; Y299-F306 HydrophobicContact CE2-CZ 4.1Å; Y299-F306 AromaticContact CG-CE1 3.93Å; Y299-F306 HydrophobicContact CG-CE1 3.93Å; Y299-F306 HydrophobicContact CG-CZ 4.32Å; Y299-W417 HydrophobicContact CE1-CB 4.41Å; Y299-S444 WeakPolarHBondContact CE2-OG 3.5Å; Y299-H446 HydrophobicContact CD2-CB 3.83Å; Y299-H446 HydrophobicContact CE2-CB 3.93Å
300	C	94.9	Very high	93.8	Very high	14 Å²	14	32.3 Å²	32.3	10%	0.095	16%	0.161	C	C	.	.			trans	-77.1	58.1	177.1	-159.9	0	0	0	0	113	T297 L452 M479	T297-C300 HydrophobicContact CG2-CB 4Å; T297-C300 WeakPolarHBondContact O-CB 3.46Å; T297-C300 PolarHBondContact O-N 2.86Å; C300-L452 HydrophobicContact CB-CD1 4.19Å; C300-M479 HydrophobicContact CB-CG 4.3Å; C300-M479 HydrophobicContact CB-SD 4.2Å
301	N	91.5	Very high	93.5	Very high	63 Å²	63	34.7 Å²	34.7	34%	0.337	18%	0.176	S	C	.	.	S	Bend	trans	-150.5	134.7	174.5	175	-20.9	0	0	0	109.6	Y299 E303 Y304 Y449	Y299-N301 PolarHBondContact O-N 2.91Å; N301-E303 PolarHBondContact O-N 2.72Å; N301-E303 PolarHBondContact OD1-N 3.05Å; N301-Y304 HydrophobicContact CB-CD2 3.7Å; N301-Y304 HydrophobicContact CB-CE2 3.86Å; N301-Y304 WeakPolarHBondContact O-CB 3.32Å; N301-Y304 PolarHBondContact O-N 2.76Å; N301-Y449 WeakPolarHBondContact O-CB 3.39Å
302	P	91.6	Very high	93.3	Very high	84 Å²	84	34.2 Å²	34.2	55%	0.545	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-20.7	177.5	-27.3	33.4	0	0	0	117.3	Y304 Y449	P302-Y304 PolarHBondContact O-N 2.98Å; P302-Y449 HydrophobicContact CB-CD1 4.41Å; P302-Y449 HydrophobicContact CB-CE1 4.33Å; P302-Y449 HydrophobicContact CG-CD1 4.39Å; P302-Y449 HydrophobicContact CG-CD2 4.3Å; P302-Y449 HydrophobicContact CG-CE1 3.95Å; P302-Y449 HydrophobicContact CG-CE2 3.82Å
303	E	88.3	Confident	93	Very high	80 Å²	80	34.6 Å²	34.6	37%	0.374	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.5	171.3	-66.8	-160.5	147.1	0	0	111.8	K65 N301 D305 W417	K65-E303 IonicContact NZ-OE1 2.87Å; K65-E303 IonicContact NZ-OE2 3.66Å; K65-E303 PolarHBondContact NZ-OE2 2.88Å; N301-E303 PolarHBondContact O-N 2.72Å; N301-E303 PolarHBondContact OD1-N 3.05Å; E303-D305 PolarHBondContact O-N 2.83Å; E303-W417 HydrophobicContact CB-CH2 4.38Å; E303-W417 HydrophobicContact CB-CZ2 4.09Å; E303-W417 VanDerWaalsContact O-CE2 3.25Å; E303-W417 WeakPolarHBondContact O-CZ2 3.34Å; E303-W417 PolarHBondContact O-NE1 2.81Å
304	Y	89.5	Confident	92.8	Very high	57 Å²	57	35.1 Å²	35.1	22%	0.224	18%	0.179	C	C	.	.			trans	-92.5	67.4	-172.6	-54.3	-49.7	0	0	0	113.3	Y299 N301 P302 W417 Y449	Y299-Y304 AromaticContact CD1-CD1 3.96Å; Y299-Y304 HydrophobicContact CD1-CD1 3.96Å; Y299-Y304 AromaticContact CD1-CD2 3.67Å; Y299-Y304 HydrophobicContact CD1-CD2 3.67Å; Y299-Y304 HydrophobicContact CD1-CE1 4.31Å; Y299-Y304 HydrophobicContact CD1-CE2 4.03Å; Y299-Y304 AromaticContact CD1-CG 3.62Å; Y299-Y304 HydrophobicContact CD1-CG 3.62Å; Y299-Y304 HydrophobicContact CE1-CD1 4.47Å; Y299-Y304 HydrophobicContact CG-CD2 4.27Å; Y299-Y304 HydrophobicContact CG-CG 4.2Å; N301-Y304 HydrophobicContact CB-CD2 3.7Å; N301-Y304 HydrophobicContact CB-CE2 3.86Å; N301-Y304 WeakPolarHBondContact O-CB 3.32Å; N301-Y304 PolarHBondContact O-N 2.76Å; P302-Y304 PolarHBondContact O-N 2.98Å; Y304-W417 HydrophobicContact CD1-CB 3.94Å; Y304-W417 AromaticContact CD1-CD2 3.54Å; Y304-W417 HydrophobicContact CD1-CD2 3.54Å; Y304-W417 AromaticContact CD1-CE2 3.94Å; Y304-W417 AromaticContact CD1-CE3 3.76Å; Y304-W417 HydrophobicContact CD1-CE3 3.76Å; Y304-W417 AromaticContact CD1-CG 3.69Å; Y304-W417 HydrophobicContact CD1-CG 3.69Å; Y304-W417 HydrophobicContact CD1-CZ2 4.42Å; Y304-W417 HydrophobicContact CD1-CZ3 4.29Å; Y304-W417 AromaticContact CE1-CD2 3.93Å; Y304-W417 HydrophobicContact CE1-CD2 3.93Å; Y304-W417 AromaticContact CE1-CE3 3.62Å; Y304-W417 HydrophobicContact CE1-CE3 3.62Å; Y304-W417 HydrophobicContact CE1-CG 4.41Å; Y304-W417 HydrophobicContact CE1-CH2 4.42Å; Y304-W417 AromaticContact CE1-CZ3 3.9Å; Y304-W417 HydrophobicContact CE1-CZ3 3.9Å; Y304-Y449 PolarHBondContact O-N 2.93Å
305	D	88.5	Confident	92.5	Very high	85 Å²	85	38.1 Å²	38.1	46%	0.455	19%	0.193	S	C	.	.			trans	-104.8	139.9	160.6	-159.6	27.6	0	0	0	111.5	E303 S448 V450	E303-D305 PolarHBondContact O-N 2.83Å; D305-S448 WeakPolarHBondContact OD1-CB 3.44Å; D305-S448 PolarHBondContact OD1-OG 2.91Å; D305-V450 HydrophobicContact CB-CG2 4.49Å
306	F	88.6	Confident	92.3	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.039	19%	0.193	C	C	.	.			trans	-156.3	147.6	-177	44.5	-107.1	0	0	0	110.5	Y299 W417 S444 H446 S448	Y299-F306 AromaticContact CD2-CE1 3.57Å; Y299-F306 HydrophobicContact CD2-CE1 3.57Å; Y299-F306 AromaticContact CD2-CZ 3.62Å; Y299-F306 HydrophobicContact CD2-CZ 3.62Å; Y299-F306 AromaticContact CE2-CE1 3.98Å; Y299-F306 HydrophobicContact CE2-CE1 3.98Å; Y299-F306 HydrophobicContact CE2-CZ 4.1Å; Y299-F306 AromaticContact CG-CE1 3.93Å; Y299-F306 HydrophobicContact CG-CE1 3.93Å; Y299-F306 HydrophobicContact CG-CZ 4.32Å; F306-W417 HydrophobicContact CD1-CB 4Å; F306-W417 HydrophobicContact CD1-CG 4.48Å; F306-W417 HydrophobicContact CE1-CB 4.39Å; F306-S444 VanDerWaalsContact CZ-CB 3.46Å; F306-S444 VanDerWaalsContact CZ-OG 3.3Å; F306-S444 WeakPolarHBondContact CZ-OG 3.38Å; F306-H446 WeakPolarHBondContact CE2-O 3.37Å; F306-H446 VanDerWaalsContact CZ-O 3.29Å; F306-H446 WeakPolarHBondContact CZ-O 3.32Å; F306-S448 VanDerWaalsContact CE2-CB 3.49Å; F306-S448 VanDerWaalsContact CZ-N 3.31Å
307	P	90	Very high	92.2	Very high	32 Å²	32	38.1 Å²	38.1	21%	0.208	19%	0.193	C	C	.	.			trans	-70.9	160	-172.7	28	-35.3	0	0	0	113.8	R274 V311 V312 L426	R274-P307 PolarHBondContact NH1-O 3.5Å; R274-P307 PolarHBondContact NH2-O 2.95Å; P307-V311 HydrophobicContact CB-CB 4.17Å; P307-V311 HydrophobicContact CB-CG1 4.14Å; P307-V312 HydrophobicContact CG-CG2 3.8Å; P307-L426 HydrophobicContact CG-CD1 4.07Å; P307-L426 HydrophobicContact CG-CD2 3.87Å
308	E	90.6	Very high	92.1	Very high	43 Å²	43	40 Å²	40	20%	0.201	20%	0.203	C	C	.	.			trans	-52.5	143.2	172.3	-60.1	174.1	153.5	0	0	111.5	E276 N277 R310 V311 V312	E276-E308 WeakPolarHBondContact OE1-CA 3.49Å; N277-E308 PolarHBondContact ND2-OE1 2.75Å; E308-R310 HydrophobicContact CB-CG 4.17Å; E308-R310 PolarHBondContact O-N 2.87Å; E308-R310 VanDerWaalsContact O-N 3.1Å; E308-R310 IonicContact OE1-NH2 2.76Å; E308-R310 PolarHBondContact OE1-NH2 3.38Å; E308-R310 IonicContact OE2-CZ 3.48Å; E308-R310 IonicContact OE2-NE 2.91Å; E308-R310 PolarHBondContact OE2-NE 3.21Å; E308-R310 IonicContact OE2-NH2 3.89Å; E308-R310 PolarHBondContact OE2-NH2 3.38Å; E308-V311 HydrophobicContact CB-CG2 4.4Å; E308-V311 WeakPolarHBondContact O-CB 3.4Å; E308-V311 PolarHBondContact O-N 3Å; E308-V312 PolarHBondContact O-N 3.19Å
309	Q	90.8	Very high	92.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-53.2	-37	-177.7	-69.5	-178.5	-7	0	0	112.6	E276 V311 V312 I313 R343 Y443 S444	E276-Q309 WeakPolarHBondContact OE1-CB 3.43Å; E276-Q309 WeakPolarHBondContact OE1-CG 3.13Å; E276-Q309 PolarHBondContact OE1-N 2.69Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.01Å; Q309-V312 PolarHBondContact O-N 3.37Å; Q309-I313 WeakPolarHBondContact O-CB 3.23Å; Q309-I313 WeakPolarHBondContact O-CD1 3.23Å; Q309-I313 WeakPolarHBondContact O-CG1 3.45Å; Q309-I313 PolarHBondContact O-N 3.28Å; Q309-R343 VanDerWaalsContact OE1-CD 3.28Å; Q309-Y443 HydrophobicContact CB-CD2 4.26Å; Q309-Y443 HydrophobicContact CB-CE2 3.75Å; Q309-Y443 HydrophobicContact CG-CD2 4.15Å; Q309-Y443 HydrophobicContact CG-CE2 3.77Å; Q309-Y443 PolarHBondContact OE1-OH 3.18Å; Q309-Y443 VanDerWaalsContact OE1-OH 3.07Å; Q309-S444 PolarHBondContact NE2-O 2.87Å
310	R	90.5	Very high	92.2	Very high	122 Å²	122	38.8 Å²	38.8	46%	0.46	20%	0.196	S	C	.	.	H	α-helix	trans	-61.2	-34.7	176.5	65.7	175.2	176.9	177.6	-8.2	113.6	H8 E308 S314	H8-R310 PolarHBondContact CD2-NH1 3.35Å; H8-R310 PolarHBondContact NE2-NH1 2.98Å; H8-R310 VanDerWaalsContact NE2-NH1 3.1Å; E308-R310 HydrophobicContact CB-CG 4.17Å; E308-R310 PolarHBondContact O-N 2.87Å; E308-R310 VanDerWaalsContact O-N 3.1Å; E308-R310 IonicContact OE1-NH2 2.76Å; E308-R310 PolarHBondContact OE1-NH2 3.38Å; E308-R310 IonicContact OE2-CZ 3.48Å; E308-R310 IonicContact OE2-NE 2.91Å; E308-R310 PolarHBondContact OE2-NE 3.21Å; E308-R310 IonicContact OE2-NH2 3.89Å; E308-R310 PolarHBondContact OE2-NH2 3.38Å; R310-S314 WeakPolarHBondContact O-CB 3.34Å; R310-S314 PolarHBondContact O-N 2.83Å
311	V	91.8	Very high	92.2	Very high	51 Å²	51	40.1 Å²	40.1	31%	0.309	20%	0.201	S	C	.	.	H	α-helix	trans	-71.8	-45.2	177.4	177.6	0	0	0	0	109.5	P307 E308 Q309 S314 Q315	P307-V311 HydrophobicContact CB-CB 4.17Å; P307-V311 HydrophobicContact CB-CG1 4.14Å; E308-V311 HydrophobicContact CB-CG2 4.4Å; E308-V311 WeakPolarHBondContact O-CB 3.4Å; E308-V311 PolarHBondContact O-N 3Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.01Å; V311-S314 PolarHBondContact O-N 3.13Å; V311-Q315 WeakPolarHBondContact O-CG 3.46Å; V311-Q315 PolarHBondContact O-N 3.07Å
312	V	92.2	Very high	92.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-47.9	176.9	-178.6	0	0	0	0	111.3	P307 E308 Q309 Q315 A316 M344 V441 P442 Y443	P307-V312 HydrophobicContact CG-CG2 3.8Å; E308-V312 PolarHBondContact O-N 3.19Å; Q309-V312 PolarHBondContact O-N 3.37Å; V312-Q315 PolarHBondContact O-N 3.28Å; V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.42Å; V312-M344 HydrophobicContact CG1-CE 4.14Å; V312-V441 HydrophobicContact CG1-CG1 3.25Å; V312-P442 HydrophobicContact CG1-CG 4.49Å; V312-P442 HydrophobicContact CG2-CG 4.41Å; V312-Y443 HydrophobicContact CG1-CD2 4.38Å
313	I	93.1	Very high	92.6	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-50.4	174.9	-66	161.3	0	0	0	110.4	Q309 Q315 A316 L317 R343 M344 A347 Y443	Q309-I313 WeakPolarHBondContact O-CB 3.23Å; Q309-I313 WeakPolarHBondContact O-CD1 3.23Å; Q309-I313 WeakPolarHBondContact O-CG1 3.45Å; Q309-I313 PolarHBondContact O-N 3.28Å; I313-Q315 VanDerWaalsContact C-N 3.26Å; I313-Q315 PolarHBondContact O-N 2.86Å; I313-A316 PolarHBondContact O-N 3.01Å; I313-A316 VanDerWaalsContact O-N 3.15Å; I313-L317 HydrophobicContact CG2-CD1 3.93Å; I313-L317 HydrophobicContact CG2-CG 4.23Å; I313-L317 WeakPolarHBondContact O-CG 3.45Å; I313-L317 PolarHBondContact O-N 3.18Å; I313-R343 HydrophobicContact CD1-CG 3.78Å; I313-M344 HydrophobicContact CG1-CE 3.77Å; I313-M344 HydrophobicContact CG1-SD 4.36Å; I313-A347 HydrophobicContact CG2-CB 3.61Å; I313-Y443 HydrophobicContact CD1-CE2 4.09Å; I313-Y443 HydrophobicContact CG1-CD2 4.41Å; I313-Y443 HydrophobicContact CG1-CE2 4.08Å
314	S	93.7	Very high	93	Very high	12 Å²	12	35.6 Å²	35.6	8%	0.084	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-36.5	-178.2	177.2	0	0	0	0	112.8	R14 R310 V311 D318	R14-S314 PolarHBondContact NH2-OG 2.75Å; R310-S314 WeakPolarHBondContact O-CB 3.34Å; R310-S314 PolarHBondContact O-N 2.83Å; V311-S314 PolarHBondContact O-N 3.13Å; S314-D318 PolarHBondContact O-N 2.86Å; S314-D318 VanDerWaalsContact O-N 3.17Å
315	Q	93.3	Very high	93.3	Very high	65 Å²	65	40.1 Å²	40.1	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-74.7	-38.6	176.8	-69.6	174.9	1	0	0	111.8	V311 V312 I313 L317 D318 F319 L426 L427	V311-Q315 WeakPolarHBondContact O-CG 3.46Å; V311-Q315 PolarHBondContact O-N 3.07Å; V312-Q315 PolarHBondContact O-N 3.28Å; I313-Q315 VanDerWaalsContact C-N 3.26Å; I313-Q315 PolarHBondContact O-N 2.86Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 3.36Å; Q315-D318 PolarHBondContact O-N 2.97Å; Q315-F319 WeakPolarHBondContact O-CB 3.49Å; Q315-F319 PolarHBondContact O-N 3.06Å; Q315-L426 VanDerWaalsContact OE1-CD1 3.27Å; Q315-L427 VanDerWaalsContact C-CD1 3.42Å; Q315-L427 HydrophobicContact CB-CD1 3.68Å; Q315-L427 HydrophobicContact CB-CG 4.45Å; Q315-L427 WeakPolarHBondContact O-CD1 3.48Å
316	A	94	Very high	93.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-40.5	174.4	0	0	0	0	0	111.5	V312 I313 F319 I320 M344	V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.42Å; I313-A316 PolarHBondContact O-N 3.01Å; I313-A316 VanDerWaalsContact O-N 3.15Å; A316-F319 PolarHBondContact O-N 2.94Å; A316-I320 WeakPolarHBondContact O-CB 3.43Å; A316-I320 WeakPolarHBondContact O-CD1 3.46Å; A316-I320 WeakPolarHBondContact O-CG1 3.49Å; A316-I320 PolarHBondContact O-N 3.26Å; A316-M344 HydrophobicContact CB-CE 4.5Å; A316-M344 HydrophobicContact CB-SD 4.24Å
317	L	95.9	Very high	93.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-46.7	174	-69.6	177	0	0	0	112.4	L11 I313 Q315 F319 I320 Q321 I348 A351 F352	L11-L317 HydrophobicContact CD1-CD1 4.43Å; L11-L317 HydrophobicContact CD2-CD1 4.2Å; I313-L317 HydrophobicContact CG2-CD1 3.93Å; I313-L317 HydrophobicContact CG2-CG 4.23Å; I313-L317 WeakPolarHBondContact O-CG 3.45Å; I313-L317 PolarHBondContact O-N 3.18Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 3.36Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.16Å; L317-I320 PolarHBondContact O-N 2.87Å; L317-Q321 WeakPolarHBondContact O-CB 3.08Å; L317-Q321 PolarHBondContact O-N 3.35Å; L317-I348 HydrophobicContact CD2-CB 4.37Å; L317-I348 HydrophobicContact CD2-CG1 3.79Å; L317-A351 HydrophobicContact CD1-CB 3.87Å; L317-A351 HydrophobicContact CD2-CB 3.49Å; L317-A351 VanDerWaalsContact CD2-CB 3.49Å; L317-A351 HydrophobicContact CG-CB 4.3Å; L317-F352 HydrophobicContact CD2-CD2 4.39Å; L317-F352 HydrophobicContact CD2-CE2 3.73Å
318	D	95.1	Very high	94.2	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.214	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-38.1	175.9	-84.3	-13.8	0	0	0	111.5	R14 R18 S314 Q315 A322	R14-D318 IonicContact NH2-OD2 3.97Å; R14-D318 PolarHBondContact NH2-OD2 2.97Å; R18-D318 IonicContact CZ-OD2 3.18Å; R18-D318 IonicContact NH1-OD1 3.33Å; R18-D318 PolarHBondContact NH1-OD1 3.33Å; R18-D318 IonicContact NH1-OD2 3.67Å; R18-D318 PolarHBondContact NH1-OD2 3.03Å; S314-D318 PolarHBondContact O-N 2.86Å; S314-D318 VanDerWaalsContact O-N 3.17Å; Q315-D318 PolarHBondContact O-N 2.97Å; D318-A322 PolarHBondContact O-N 2.85Å; D318-A322 VanDerWaalsContact O-N 3.08Å
319	F	95.1	Very high	94.4	Very high	41 Å²	41	49.3 Å²	49.3	18%	0.18	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-45.5	175.3	-175.1	-82.7	0	0	0	112.6	Q315 A316 L317 Q321 A322 K323 L410 L427 P429 T437 L439	Q315-F319 WeakPolarHBondContact O-CB 3.49Å; Q315-F319 PolarHBondContact O-N 3.06Å; A316-F319 PolarHBondContact O-N 2.94Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.16Å; F319-Q321 VanDerWaalsContact C-N 3.34Å; F319-Q321 PolarHBondContact O-N 3.34Å; F319-A322 PolarHBondContact O-N 3.21Å; F319-K323 HydrophobicContact CD1-CG 4.07Å; F319-K323 HydrophobicContact CE1-CD 4.44Å; F319-K323 HydrophobicContact CE1-CG 3.62Å; F319-K323 HydrophobicContact CZ-CG 4.14Å; F319-K323 PolarHBondContact O-N 3.09Å; F319-L410 HydrophobicContact CD1-CD2 4.27Å; F319-L410 HydrophobicContact CE1-CD1 3.95Å; F319-L410 HydrophobicContact CE1-CD2 4.25Å; F319-L427 HydrophobicContact CB-CD1 4.19Å; F319-P429 HydrophobicContact CE2-CG 4.42Å; F319-P429 HydrophobicContact CZ-CG 4.02Å; F319-T437 HydrophobicContact CE1-CG2 4.36Å; F319-T437 HydrophobicContact CZ-CG2 4.22Å; F319-L439 HydrophobicContact CD1-CD2 3.66Å; F319-L439 HydrophobicContact CE1-CD1 4.31Å; F319-L439 HydrophobicContact CE1-CD2 3.85Å; F319-L439 HydrophobicContact CE1-CG 4.49Å; F319-L439 HydrophobicContact CE2-CD1 4.27Å; F319-L439 HydrophobicContact CG-CD2 4.11Å; F319-L439 HydrophobicContact CZ-CD1 4.11Å; F319-L439 HydrophobicContact CZ-CD2 4.45Å
320	I	96.4	Very high	94.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-45.8	175.7	-67.8	158.9	0	0	0	109.9	A316 L317 A322 K323 M324 I332 I348 F352 L410 I412	A316-I320 WeakPolarHBondContact O-CB 3.43Å; A316-I320 WeakPolarHBondContact O-CD1 3.46Å; A316-I320 WeakPolarHBondContact O-CG1 3.49Å; A316-I320 PolarHBondContact O-N 3.26Å; L317-I320 PolarHBondContact O-N 2.87Å; I320-A322 VanDerWaalsContact C-N 3.28Å; I320-A322 PolarHBondContact O-N 3.32Å; I320-K323 PolarHBondContact O-N 2.95Å; I320-K323 VanDerWaalsContact O-N 3.12Å; I320-M324 HydrophobicContact CG2-CG 4.19Å; I320-M324 HydrophobicContact CG2-SD 3.81Å; I320-M324 WeakPolarHBondContact O-CG 3.22Å; I320-M324 PolarHBondContact O-N 3.4Å; I320-I332 HydrophobicContact CG2-CD1 3.52Å; I320-I348 HydrophobicContact CD1-CD1 3.59Å; I320-I348 HydrophobicContact CD1-CG1 3.76Å; I320-I348 HydrophobicContact CD1-CG2 4.07Å; I320-F352 HydrophobicContact CB-CE2 3.97Å; I320-F352 HydrophobicContact CB-CZ 3.9Å; I320-F352 HydrophobicContact CD1-CE2 4.42Å; I320-F352 HydrophobicContact CG2-CD2 4.3Å; I320-F352 HydrophobicContact CG2-CE1 4.3Å; I320-F352 HydrophobicContact CG2-CE2 3.47Å; I320-F352 VanDerWaalsContact CG2-CE2 3.47Å; I320-F352 HydrophobicContact CG2-CZ 3.48Å; I320-F352 VanDerWaalsContact CG2-CZ 3.48Å; I320-L410 HydrophobicContact CG1-CD2 3.76Å; I320-I412 HydrophobicContact CD1-CD1 3.8Å; I320-I412 HydrophobicContact CG1-CD1 4.16Å
321	Q	96.1	Very high	95	Very high	42 Å²	42	43.7 Å²	43.7	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-36.5	178.5	-166.2	-176.7	45.6	0	0	111.9	L317 F319 K325 F352	L317-Q321 WeakPolarHBondContact O-CB 3.08Å; L317-Q321 PolarHBondContact O-N 3.35Å; F319-Q321 VanDerWaalsContact C-N 3.34Å; F319-Q321 PolarHBondContact O-N 3.34Å; Q321-K325 WeakPolarHBondContact O-CG 3.47Å; Q321-K325 PolarHBondContact O-N 3.34Å; Q321-F352 HydrophobicContact CB-CE1 4.2Å; Q321-F352 HydrophobicContact CB-CZ 4.19Å; Q321-F352 HydrophobicContact CG-CE1 4.46Å
322	A	95.6	Very high	95.3	Very high	56 Å²	56	41.3 Å²	41.3	46%	0.463	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-45	172.5	0	0	0	0	0	112	D318 F319 I320 K325 V326	D318-A322 PolarHBondContact O-N 2.85Å; D318-A322 VanDerWaalsContact O-N 3.08Å; F319-A322 PolarHBondContact O-N 3.21Å; I320-A322 VanDerWaalsContact C-N 3.28Å; I320-A322 PolarHBondContact O-N 3.32Å; A322-K325 PolarHBondContact O-N 2.93Å; A322-V326 PolarHBondContact O-N 3.49Å
323	K	95.5	Very high	95.4	Very high	19 Å²	19	41.5 Å²	41.5	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-39.1	178.3	-82.1	-79.5	172.1	170.5	0	113.1	F319 I320 K325 V326 H327 L330 E432 T437	F319-K323 HydrophobicContact CD1-CG 4.07Å; F319-K323 HydrophobicContact CE1-CD 4.44Å; F319-K323 HydrophobicContact CE1-CG 3.62Å; F319-K323 HydrophobicContact CZ-CG 4.14Å; F319-K323 PolarHBondContact O-N 3.09Å; I320-K323 PolarHBondContact O-N 2.95Å; I320-K323 VanDerWaalsContact O-N 3.12Å; K323-K325 VanDerWaalsContact C-N 3.26Å; K323-K325 PolarHBondContact O-N 3.2Å; K323-V326 PolarHBondContact O-N 3.47Å; K323-V326 VanDerWaalsContact O-N 3.13Å; K323-H327 PolarHBondContact O-N 2.84Å; K323-L330 HydrophobicContact CB-CD2 4.01Å; K323-E432 IonicContact NZ-OE1 3.56Å; K323-E432 PolarHBondContact NZ-OE1 2.84Å; K323-T437 PolarHBondContact NZ-OG1 3.09Å
324	M	96	Very high	95.6	Very high	57 Å²	57	41 Å²	41	28%	0.281	22%	0.217	S	C	.	.	H	α-helix	trans	-64.8	-27.4	176.3	-69.3	176.9	80.6	0	0	113.1	I320 H327 L330 F352 F386	I320-M324 HydrophobicContact CG2-CG 4.19Å; I320-M324 HydrophobicContact CG2-SD 3.81Å; I320-M324 WeakPolarHBondContact O-CG 3.22Å; I320-M324 PolarHBondContact O-N 3.4Å; M324-H327 CarbonylContact O-C 3.4Å; M324-L330 HydrophobicContact CG-CB 4.48Å; M324-L330 HydrophobicContact CG-CD2 3.72Å; M324-F352 HydrophobicContact CE-CD1 4.43Å; M324-F352 HydrophobicContact SD-CD1 3.81Å; M324-F352 HydrophobicContact SD-CE1 3.72Å; M324-F352 HydrophobicContact SD-CG 4.39Å; M324-F352 HydrophobicContact SD-CZ 4.24Å; M324-F386 HydrophobicContact CE-CE2 4.23Å; M324-F386 HydrophobicContact CE-CZ 4.21Å
325	K	95.9	Very high	95.5	Very high	153 Å²	153	40.7 Å²	40.7	67%	0.665	22%	0.215	S	C	*	.	H	α-helix	trans	-72.6	-28.5	173.3	-71.2	175.9	178.3	-173.8	0	113.2	Q321 A322 K323	Q321-K325 WeakPolarHBondContact O-CG 3.47Å; Q321-K325 PolarHBondContact O-N 3.34Å; A322-K325 PolarHBondContact O-N 2.93Å; K323-K325 VanDerWaalsContact C-N 3.26Å; K323-K325 PolarHBondContact O-N 3.2Å
326	V	95.7	Very high	95.3	Very high	105 Å²	105	38 Å²	38	64%	0.636	20%	0.204	S	C	*	.	H	α-helix	trans	-88.7	-32.9	177.8	-178.5	0	0	0	0	111.5	A322 K323	A322-V326 PolarHBondContact O-N 3.49Å; K323-V326 PolarHBondContact O-N 3.47Å; K323-V326 VanDerWaalsContact O-N 3.13Å
327	H	95.7	Very high	94.9	Very high	41 Å²	41	42 Å²	42	19%	0.19	22%	0.22	C	C	.	.			trans	-125.5	89	179.5	-53	-74	0	0	0	109.8	K323 M324 K329 L330 H408	K323-H327 PolarHBondContact O-N 2.84Å; M324-H327 CarbonylContact O-C 3.4Å; H327-K329 PolarHBondContact O-N 3.44Å; H327-L330 HydrophobicContact CB-CB 4.29Å; H327-L330 HydrophobicContact CB-CD1 4.34Å; H327-L330 VanDerWaalsContact O-CB 3.3Å; H327-L330 WeakPolarHBondContact O-CB 3.32Å; H327-L330 PolarHBondContact O-N 3.5Å; H327-H408 HydrophobicContact CB-CB 4.02Å; H327-H408 AromaticContact CE1-CE1 3.88Å; H327-H408 AromaticContact CE1-CG 3.93Å; H327-H408 AromaticContact CE1-ND1 3.49Å; H327-H408 PolarHBondContact CE1-ND1 2.93Å; H327-H408 AromaticContact CG-CG 3.88Å; H327-H408 AromaticContact ND1-CG 3.84Å; H327-H408 AromaticContact ND1-ND1 3.79Å; H327-H408 AromaticContact NE2-CE1 3.76Å; H327-H408 AromaticContact NE2-ND1 3.76Å
328	P	94.6	Very high	94.5	Very high	113 Å²	113	44.7 Å²	44.7	73%	0.734	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.2	-179.7	-26.7	36.3	0	0	0	113.7
329	K	95.8	Very high	94.4	Very high	103 Å²	103	42.8 Å²	42.8	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	51.7	174.4	-54	-171.9	-158	157.8	0	111.8	H327 Y406 E407	H327-K329 PolarHBondContact O-N 3.44Å; K329-Y406 WeakPolarHBondContact O-CA 3.38Å; K329-Y406 WeakPolarHBondContact O-CB 3.41Å; K329-E407 HydrophobicContact CB-CB 4.3Å; K329-E407 HydrophobicContact CB-CG 4.3Å; K329-E407 HydrophobicContact CD-CG 4.08Å; K329-E407 WeakPolarHBondContact CD-OE1 3.3Å; K329-E407 WeakPolarHBondContact CE-OE1 3.05Å; K329-E407 IonicContact NZ-OE1 2.72Å; K329-E407 PolarHBondContact NZ-OE1 2.74Å; K329-E407 PolarHBondContact O-N 2.77Å
330	L	97	Very high	94.2	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.2	177.9	-174.1	66.9	0	0	0	111.9	K323 M324 H327 I332 H408 L410	K323-L330 HydrophobicContact CB-CD2 4.01Å; M324-L330 HydrophobicContact CG-CB 4.48Å; M324-L330 HydrophobicContact CG-CD2 3.72Å; H327-L330 HydrophobicContact CB-CB 4.29Å; H327-L330 HydrophobicContact CB-CD1 4.34Å; H327-L330 VanDerWaalsContact O-CB 3.3Å; H327-L330 WeakPolarHBondContact O-CB 3.32Å; H327-L330 PolarHBondContact O-N 3.5Å; L330-I332 HydrophobicContact CD2-CG1 4.19Å; L330-I332 HydrophobicContact CG-CG1 4.35Å; L330-H408 HydrophobicContact CD1-CB 4.18Å; L330-L410 HydrophobicContact CD1-CB 3.9Å; L330-L410 HydrophobicContact CD2-CB 4.19Å; L330-L410 HydrophobicContact CD2-CD2 4.39Å; L330-L410 HydrophobicContact CG-CB 4.33Å
331	L	97	Very high	93.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.4	161.5	179.2	62.7	0	0	0	109.5	V333 Y399 L400 Y403 Y406 H408 V409 L410	L331-V333 HydrophobicContact CD2-CG2 4.05Å; L331-V333 HydrophobicContact CG-CG2 4Å; L331-Y399 HydrophobicContact CD2-CD1 4.03Å; L331-Y399 HydrophobicContact CD2-CE1 4.11Å; L331-L400 HydrophobicContact CD2-CD1 4.45Å; L331-Y403 HydrophobicContact CD2-CD2 4.26Å; L331-Y406 HydrophobicContact CB-CD1 4.1Å; L331-Y406 HydrophobicContact CB-CD2 3.87Å; L331-Y406 HydrophobicContact CB-CE2 4.44Å; L331-Y406 HydrophobicContact CB-CG 3.7Å; L331-Y406 HydrophobicContact CD1-CD2 3.98Å; L331-Y406 HydrophobicContact CD1-CE2 3.81Å; L331-Y406 HydrophobicContact CD2-CD2 4.25Å; L331-Y406 HydrophobicContact CG-CD2 4.25Å; L331-H408 PolarHBondContact N-O 3.46Å; L331-V409 HydrophobicContact CB-CB 4.26Å; L331-V409 HydrophobicContact CB-CG2 4.19Å; L331-V409 HydrophobicContact CD2-CB 4.47Å; L331-V409 HydrophobicContact CD2-CG2 4.09Å; L331-V409 HydrophobicContact CG-CG2 4.1Å; L331-V409 CarbonylContact O-C 3.56Å; L331-V409 VanDerWaalsContact O-CA 3.32Å; L331-V409 WeakPolarHBondContact O-CA 3.46Å; L331-L410 PolarHBondContact O-N 3.08Å
332	I	97	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.9	173.5	-53.9	176	0	0	0	108.4	I320 L330 I334 I348 F386 L387 H388 L410 I412	I320-I332 HydrophobicContact CG2-CD1 3.52Å; L330-I332 HydrophobicContact CD2-CG1 4.19Å; L330-I332 HydrophobicContact CG-CG1 4.35Å; I332-I334 HydrophobicContact CG2-CD1 4.33Å; I332-I334 HydrophobicContact CG2-CG1 4.03Å; I332-I348 HydrophobicContact CD1-CG2 4.43Å; I332-F386 HydrophobicContact CD1-CD2 3.91Å; I332-F386 HydrophobicContact CD1-CE2 4.02Å; I332-F386 HydrophobicContact CG1-CD2 4.26Å; I332-F386 PolarHBondContact N-O 3.28Å; I332-L387 HydrophobicContact CB-CD1 4.12Å; I332-L387 HydrophobicContact CG2-CD1 3.83Å; I332-H388 PolarHBondContact O-N 3.39Å; I332-L410 WeakPolarHBondContact CA-O 3.41Å; I332-I412 HydrophobicContact CG2-CD1 3.8Å; I332-I412 HydrophobicContact CG2-CG1 4.37Å
333	V	95.8	Very high	93.6	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.9	176.9	179.7	0	0	0	0	109.2	L331 H388 M390 L396 Y399 V409 L410 G411 I412	L331-V333 HydrophobicContact CD2-CG2 4.05Å; L331-V333 HydrophobicContact CG-CG2 4Å; V333-H388 CarbonylContact C-O 3.54Å; V333-H388 WeakPolarHBondContact CA-O 3.48Å; V333-H388 HydrophobicContact CG2-CB 4.43Å; V333-M390 HydrophobicContact CG1-CB 4.13Å; V333-M390 HydrophobicContact CG1-CG 3.97Å; V333-M390 HydrophobicContact CG1-SD 3.73Å; V333-L396 HydrophobicContact CB-CD2 3.84Å; V333-L396 HydrophobicContact CG1-CD2 3.88Å; V333-L396 HydrophobicContact CG2-CD2 4.24Å; V333-Y399 HydrophobicContact CG2-CD1 3.86Å; V333-Y399 HydrophobicContact CG2-CE1 3.82Å; V333-V409 HydrophobicContact CB-CG2 4.24Å; V333-V409 HydrophobicContact CG2-CG2 3.62Å; V333-L410 PolarHBondContact N-O 3.14Å; V333-G411 CarbonylContact O-C 3.56Å; V333-G411 WeakPolarHBondContact O-CA 3.44Å; V333-I412 PolarHBondContact O-N 3.44Å
334	I	95.3	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.6	-178.5	-51.6	-167.2	0	0	0	109.9	I332 A336 F345 I348 L387 H388 V389 M390 I412 P414	I332-I334 HydrophobicContact CG2-CD1 4.33Å; I332-I334 HydrophobicContact CG2-CG1 4.03Å; I334-A336 PolarHBondContact O-N 2.96Å; I334-F345 HydrophobicContact CD1-CB 3.83Å; I334-I348 HydrophobicContact CD1-CD1 3.42Å; I334-I348 VanDerWaalsContact CD1-CD1 3.42Å; I334-L387 HydrophobicContact CD1-CD1 3.62Å; I334-L387 HydrophobicContact CG1-CD1 3.95Å; I334-H388 PolarHBondContact N-O 3.2Å; I334-V389 WeakPolarHBondContact O-CA 3.15Å; I334-M390 PolarHBondContact O-N 2.99Å; I334-I412 HydrophobicContact CD1-CD1 4.22Å; I334-I412 HydrophobicContact CG1-CB 4.18Å; I334-I412 HydrophobicContact CG1-CD1 4.25Å; I334-I412 HydrophobicContact CG2-CB 4.49Å; I334-P414 HydrophobicContact CG2-CG 3.77Å
335	G	92	Very high	93.5	Very high	5 Å²	5	37 Å²	37	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.6	172.5	0	0	0	0	0	111.3	M390 I412 P414	G335-M390 CarbonylContact C-O 3.51Å; G335-M390 WeakPolarHBondContact CA-O 2.97Å; G335-I412 PolarHBondContact N-O 2.62Å; G335-P414 VanDerWaalsContact O-CD 3.24Å; G335-P414 WeakPolarHBondContact O-CD 3.44Å
336	A	90.3	Very high	93.4	Very high	8 Å²	8	30 Å²	30	7%	0.066	16%	0.157	C	C	.	.			trans	-143.7	154.1	173.6	0	0	0	0	0	111.5	I334 K341 F345 V389 M390	I334-A336 PolarHBondContact O-N 2.96Å; A336-K341 HydrophobicContact CB-CB 4.46Å; A336-F345 HydrophobicContact CB-CE1 4.07Å; A336-V389 HydrophobicContact CB-CG1 3.68Å; A336-M390 PolarHBondContact N-O 3.34Å
337	Y	84	Confident	93.4	Very high	86 Å²	86	25 Å²	25	34%	0.337	13%	0.127	S	C	.	.			trans	-98.2	-164.8	172.6	36.8	-92.2	0	0	0	110.5	H190 I339 K341 K362 M392 E445	H190-Y337 AromaticContact CE1-CE2 3.77Å; H190-Y337 AromaticContact NE2-CE2 3.85Å; Y337-I339 WeakPolarHBondContact CD2-O 3.18Å; Y337-I339 WeakPolarHBondContact CE2-O 3.44Å; Y337-K341 HydrophobicContact CE1-CG 4.14Å; Y337-K341 WeakPolarHBondContact OH-CE 3.41Å; Y337-K341 PolarHBondContact OH-NZ 2.91Å; Y337-K362 PolarHBondContact O-NZ 3.47Å; Y337-M392 HydrophobicContact CD1-SD 3.86Å; Y337-M392 HydrophobicContact CE1-SD 4.31Å; Y337-E445 PolarHBondContact OH-OE2 3.04Å
338	T	89.2	Confident	93.4	Very high	58 Å²	58	23.1 Å²	23.1	36%	0.356	12%	0.118	S	C	.	.	S	Bend	trans	-56.8	-56.4	-168	-60.3	0	0	0	0	112.9	F189 K362 V365	F189-T338 HydrophobicContact CD1-CG2 4.38Å; F189-T338 HydrophobicContact CE1-CG2 4.12Å; T338-K362 PolarHBondContact O-NZ 2.86Å; T338-V365 HydrophobicContact CG2-CG1 4.42Å; T338-V365 HydrophobicContact CG2-CG2 4.36Å; T338-V365 VanDerWaalsContact O-CG1 3.3Å; T338-V365 WeakPolarHBondContact O-CG1 3.39Å
339	I	91.9	Very high	93.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-134.5	155.1	164.9	59	162	0	0	0	108.9	F189 H190 L214 C251 P252 Y337 V365 L369	F189-I339 HydrophobicContact CB-CD1 3.72Å; F189-I339 HydrophobicContact CB-CG1 4.43Å; H190-I339 PolarHBondContact NE2-O 3.12Å; L214-I339 HydrophobicContact CD1-CD1 3.89Å; L214-I339 HydrophobicContact CD1-CG2 3.85Å; L214-I339 HydrophobicContact CD2-CG2 4.48Å; C251-I339 HydrophobicContact CB-CD1 4.35Å; C251-I339 WeakPolarHBondContact SG-CD1 3.35Å; P252-I339 WeakPolarHBondContact O-CD1 3.44Å; Y337-I339 WeakPolarHBondContact CD2-O 3.18Å; Y337-I339 WeakPolarHBondContact CE2-O 3.44Å; I339-V365 HydrophobicContact CG2-CG1 3.3Å; I339-L369 HydrophobicContact CG2-CD2 4.28Å
340	G	90.6	Very high	93.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	108	150.7	-165	0	0	0	0	0	110.5	E342 E445	G340-E342 WeakPolarHBondContact CA-OE2 3.46Å; G340-E342 PolarHBondContact N-OE2 3.05Å; G340-E342 PolarHBondContact O-N 2.75Å; G340-E445 WeakPolarHBondContact CA-OE1 3.34Å
341	K	91.2	Very high	93.3	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.026	8%	0.082	C	C	.	.			trans	68.8	3.7	-174.8	-44.6	-51.8	-172.8	-144.4	0	116	A336 Y337 R343 M344 F345 P414 Y443 E445	A336-K341 HydrophobicContact CB-CB 4.46Å; Y337-K341 HydrophobicContact CE1-CG 4.14Å; Y337-K341 WeakPolarHBondContact OH-CE 3.41Å; Y337-K341 PolarHBondContact OH-NZ 2.91Å; K341-R343 VanDerWaalsContact C-N 3.33Å; K341-R343 PolarHBondContact O-N 3.32Å; K341-M344 WeakPolarHBondContact O-CB 3.38Å; K341-M344 PolarHBondContact O-N 2.98Å; K341-F345 WeakPolarHBondContact O-CD1 3.38Å; K341-P414 HydrophobicContact CB-CB 4.39Å; K341-P414 HydrophobicContact CB-CG 4.44Å; K341-P414 HydrophobicContact CD-CB 3.82Å; K341-P414 WeakPolarHBondContact CE-O 3.4Å; K341-P414 HydrophobicContact CG-CB 4.05Å; K341-P414 HydrophobicContact CG-CG 4.44Å; K341-Y443 HydrophobicContact CD-CD1 3.4Å; K341-Y443 VanDerWaalsContact CD-CD1 3.4Å; K341-Y443 HydrophobicContact CD-CE1 3.78Å; K341-Y443 HydrophobicContact CD-CG 4.49Å; K341-Y443 PolarHBondContact NZ-O 2.77Å; K341-E445 WeakPolarHBondContact CD-OE2 3.46Å; K341-E445 WeakPolarHBondContact CE-OE2 3.34Å; K341-E445 PolarHBondContact N-OE1 3.02Å; K341-E445 IonicContact NZ-OE2 2.7Å; K341-E445 PolarHBondContact NZ-OE2 2.87Å
342	E	93.8	Very high	93.2	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.042	9%	0.091	C	C	.	.	H	α-helix	trans	-51.5	-47.9	178	-78.7	67	-143.9	0	0	113.2	P252 G340 M344 F345 A346 K362 L366 L369 L374	P252-E342 WeakPolarHBondContact CD-OE2 3.28Å; P252-E342 HydrophobicContact CG-CB 4.36Å; P252-E342 HydrophobicContact CG-CG 4.24Å; P252-E342 WeakPolarHBondContact CG-OE2 3.36Å; G340-E342 WeakPolarHBondContact CA-OE2 3.46Å; G340-E342 PolarHBondContact N-OE2 3.05Å; G340-E342 PolarHBondContact O-N 2.75Å; E342-M344 PolarHBondContact O-N 3.47Å; E342-M344 VanDerWaalsContact O-N 3.13Å; E342-F345 HydrophobicContact CB-CE2 4.26Å; E342-F345 HydrophobicContact CB-CZ 4.08Å; E342-F345 HydrophobicContact CG-CE1 4.37Å; E342-F345 HydrophobicContact CG-CE2 4.06Å; E342-F345 HydrophobicContact CG-CZ 3.63Å; E342-F345 PolarHBondContact O-N 3.15Å; E342-A346 WeakPolarHBondContact O-CB 3.49Å; E342-A346 PolarHBondContact O-N 3.31Å; E342-K362 WeakPolarHBondContact OE1-CE 3.43Å; E342-K362 IonicContact OE1-NZ 3.76Å; E342-K362 PolarHBondContact OE1-NZ 3.25Å; E342-L366 HydrophobicContact CG-CD2 3.53Å; E342-L366 WeakPolarHBondContact OE1-CD2 3.16Å; E342-L369 HydrophobicContact CG-CD1 3.79Å; E342-L374 HydrophobicContact CB-CD2 4.39Å; E342-L374 HydrophobicContact CG-CD2 4.17Å
343	R	92.2	Very high	93.1	Very high	77 Å²	77	24 Å²	24	29%	0.291	12%	0.122	S	C	.	.	H	α-helix	trans	-59.5	-24	-179.1	158.5	-176.5	-42.7	168.9	0.7	113.5	F3 N249 E276 Q309 I313 K341 A347 Y443	F3-R343 HydrophobicContact CD2-CB 4.38Å; F3-R343 HydrophobicContact CE2-CB 3.49Å; F3-R343 VanDerWaalsContact CE2-CB 3.49Å; F3-R343 HydrophobicContact CE2-CG 3.47Å; F3-R343 VanDerWaalsContact CE2-CG 3.47Å; F3-R343 HydrophobicContact CZ-CB 3.74Å; F3-R343 HydrophobicContact CZ-CG 3.72Å; N249-R343 PolarHBondContact OD1-NH1 3.3Å; N249-R343 PolarHBondContact OD1-NH2 2.96Å; E276-R343 IonicContact OE2-NH1 3.79Å; Q309-R343 VanDerWaalsContact OE1-CD 3.28Å; I313-R343 HydrophobicContact CD1-CG 3.78Å; K341-R343 VanDerWaalsContact C-N 3.33Å; K341-R343 PolarHBondContact O-N 3.32Å; R343-A347 VanDerWaalsContact O-CB 3.27Å; R343-A347 WeakPolarHBondContact O-CB 3.48Å; R343-A347 PolarHBondContact O-N 3.28Å; R343-Y443 VanDerWaalsContact CB-OH 3.23Å; R343-Y443 WeakPolarHBondContact CB-OH 3.46Å; R343-Y443 VanDerWaalsContact CD-OH 3.25Å; R343-Y443 WeakPolarHBondContact CD-OH 3.33Å; R343-Y443 HydrophobicContact CG-CE2 4.45Å; R343-Y443 WeakPolarHBondContact CG-OH 3.4Å
344	M	93.8	Very high	93.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.6	-54.6	172.5	176.1	59.6	64.3	0	0	111.6	V312 I313 A316 K341 E342 A347 I348 P414 V441 Y443	V312-M344 HydrophobicContact CG1-CE 4.14Å; I313-M344 HydrophobicContact CG1-CE 3.77Å; I313-M344 HydrophobicContact CG1-SD 4.36Å; A316-M344 HydrophobicContact CB-CE 4.5Å; A316-M344 HydrophobicContact CB-SD 4.24Å; K341-M344 WeakPolarHBondContact O-CB 3.38Å; K341-M344 PolarHBondContact O-N 2.98Å; E342-M344 PolarHBondContact O-N 3.47Å; E342-M344 VanDerWaalsContact O-N 3.13Å; M344-A347 PolarHBondContact O-N 2.86Å; M344-I348 HydrophobicContact CG-CD1 4.2Å; M344-I348 WeakPolarHBondContact O-CG1 3.38Å; M344-I348 PolarHBondContact O-N 2.95Å; M344-I348 HydrophobicContact SD-CD1 3.82Å; M344-P414 HydrophobicContact CG-CG 4.1Å; M344-V441 HydrophobicContact CE-CG1 3.77Å; M344-Y443 HydrophobicContact CB-CD2 4.44Å; M344-Y443 HydrophobicContact CB-CE2 4.34Å; M344-Y443 HydrophobicContact CE-CD2 3.48Å; M344-Y443 VanDerWaalsContact CE-CD2 3.48Å; M344-Y443 HydrophobicContact CE-CE2 4.15Å; M344-Y443 HydrophobicContact CE-CG 4.1Å
345	F	95	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-73.4	-29.4	-176.5	55.8	-112.2	0	0	0	113.2	I334 A336 K341 E342 A349 I356 L366 L374 V389	I334-F345 HydrophobicContact CD1-CB 3.83Å; A336-F345 HydrophobicContact CB-CE1 4.07Å; K341-F345 WeakPolarHBondContact O-CD1 3.38Å; E342-F345 HydrophobicContact CB-CE2 4.26Å; E342-F345 HydrophobicContact CB-CZ 4.08Å; E342-F345 HydrophobicContact CG-CE1 4.37Å; E342-F345 HydrophobicContact CG-CE2 4.06Å; E342-F345 HydrophobicContact CG-CZ 3.63Å; E342-F345 PolarHBondContact O-N 3.15Å; F345-A349 WeakPolarHBondContact O-CB 3.22Å; F345-A349 PolarHBondContact O-N 3.24Å; F345-I356 HydrophobicContact CD2-CD1 4Å; F345-I356 HydrophobicContact CD2-CG2 4.12Å; F345-L366 HydrophobicContact CE2-CD1 4.11Å; F345-L366 HydrophobicContact CZ-CD1 4.21Å; F345-L366 HydrophobicContact CZ-CD2 4.17Å; F345-L374 HydrophobicContact CE2-CD1 4.24Å; F345-V389 HydrophobicContact CB-CG2 3.89Å; F345-V389 HydrophobicContact CD1-CG1 4.02Å; F345-V389 HydrophobicContact CD1-CG2 3.82Å; F345-V389 HydrophobicContact CD2-CG2 4.05Å; F345-V389 HydrophobicContact CE1-CG1 3.85Å; F345-V389 HydrophobicContact CE1-CG2 4.24Å; F345-V389 HydrophobicContact CE2-CG2 4.43Å; F345-V389 HydrophobicContact CG-CG2 3.7Å; F345-V389 HydrophobicContact CZ-CG1 4.38Å
346	A	94.6	Very high	93.5	Very high	7 Å²	7	28.7 Å²	28.7	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-46.3	171.8	0	0	0	0	0	111.9	F3 E342 I348 A349 E350 L374	F3-A346 HydrophobicContact CD1-CB 3.92Å; F3-A346 HydrophobicContact CE1-CB 3.38Å; F3-A346 HydrophobicContact CZ-CB 4.18Å; E342-A346 WeakPolarHBondContact O-CB 3.49Å; E342-A346 PolarHBondContact O-N 3.31Å; A346-I348 VanDerWaalsContact C-N 3.31Å; A346-I348 PolarHBondContact O-N 2.64Å; A346-A349 WeakPolarHBondContact O-CB 3.32Å; A346-A349 PolarHBondContact O-N 3.01Å; A346-E350 WeakPolarHBondContact O-CB 3.49Å; A346-E350 PolarHBondContact O-N 2.88Å; A346-L374 HydrophobicContact CB-CD1 4.08Å
347	A	94.6	Very high	93.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-33.3	177.8	0	0	0	0	0	113	V5 I313 R343 M344 A351	V5-A347 HydrophobicContact CG1-CB 4.34Å; V5-A347 HydrophobicContact CG2-CB 4.01Å; I313-A347 HydrophobicContact CG2-CB 3.61Å; R343-A347 VanDerWaalsContact O-CB 3.27Å; R343-A347 WeakPolarHBondContact O-CB 3.48Å; R343-A347 PolarHBondContact O-N 3.28Å; M344-A347 PolarHBondContact O-N 2.86Å; A347-A351 WeakPolarHBondContact O-CB 3.36Å; A347-A351 PolarHBondContact O-N 3.29Å
348	I	95.8	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-44.8	173.3	-66.2	163.8	0	0	0	110.5	L317 I320 I332 I334 M344 A346 E350 A351 F352 L387 I412	L317-I348 HydrophobicContact CD2-CB 4.37Å; L317-I348 HydrophobicContact CD2-CG1 3.79Å; I320-I348 HydrophobicContact CD1-CD1 3.59Å; I320-I348 HydrophobicContact CD1-CG1 3.76Å; I320-I348 HydrophobicContact CD1-CG2 4.07Å; I332-I348 HydrophobicContact CD1-CG2 4.43Å; I334-I348 HydrophobicContact CD1-CD1 3.42Å; I334-I348 VanDerWaalsContact CD1-CD1 3.42Å; M344-I348 HydrophobicContact CG-CD1 4.2Å; M344-I348 WeakPolarHBondContact O-CG1 3.38Å; M344-I348 PolarHBondContact O-N 2.95Å; M344-I348 HydrophobicContact SD-CD1 3.82Å; A346-I348 VanDerWaalsContact C-N 3.31Å; A346-I348 PolarHBondContact O-N 2.64Å; I348-E350 VanDerWaalsContact C-N 3.26Å; I348-E350 PolarHBondContact O-N 2.99Å; I348-A351 PolarHBondContact O-N 2.87Å; I348-F352 HydrophobicContact CG2-CD2 3.96Å; I348-F352 HydrophobicContact CG2-CE2 4.29Å; I348-F352 WeakPolarHBondContact O-CD2 3.47Å; I348-F352 PolarHBondContact O-N 3.24Å; I348-F352 VanDerWaalsContact O-N 3.15Å; I348-L387 HydrophobicContact CB-CD2 4.36Å; I348-L387 HydrophobicContact CG2-CD1 4.01Å; I348-L387 HydrophobicContact CG2-CD2 4.02Å; I348-I412 HydrophobicContact CD1-CD1 4.1Å
349	A	96.1	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-36.9	177.1	0	0	0	0	0	113.1	F345 A346 D353 C354 I356 R377 L387	F345-A349 WeakPolarHBondContact O-CB 3.22Å; F345-A349 PolarHBondContact O-N 3.24Å; A346-A349 WeakPolarHBondContact O-CB 3.32Å; A346-A349 PolarHBondContact O-N 3.01Å; A349-D353 CarbonylContact O-C 3.56Å; A349-D353 VanDerWaalsContact O-CA 3.27Å; A349-D353 WeakPolarHBondContact O-CA 3.39Å; A349-D353 PolarHBondContact O-N 2.8Å; A349-D353 VanDerWaalsContact O-N 3.15Å; A349-C354 PolarHBondContact O-N 3.5Å; A349-I356 HydrophobicContact CB-CD1 3.51Å; A349-I356 HydrophobicContact CB-CG1 3.38Å; A349-R377 PolarHBondContact O-NH1 2.93Å; A349-L387 HydrophobicContact CB-CD2 3.67Å
350	E	93.9	Very high	94.7	Very high	50 Å²	50	33.5 Å²	33.5	23%	0.234	16%	0.16	C	C	.	.	H	α-helix	trans	-77.7	-40.3	178.5	173.8	161.3	-129.4	0	0	112.9	V5 W6 A346 I348 F352 D353	V5-E350 WeakPolarHBondContact CB-OE2 3.42Å; V5-E350 VanDerWaalsContact CG2-OE2 3.31Å; V5-E350 WeakPolarHBondContact CG2-OE2 3.01Å; W6-E350 HydrophobicContact CZ2-CG 3.65Å; W6-E350 PolarHBondContact NE1-OE1 3.03Å; A346-E350 WeakPolarHBondContact O-CB 3.49Å; A346-E350 PolarHBondContact O-N 2.88Å; I348-E350 VanDerWaalsContact C-N 3.26Å; I348-E350 PolarHBondContact O-N 2.99Å; E350-F352 VanDerWaalsContact C-N 3.34Å; E350-F352 PolarHBondContact O-N 2.79Å; E350-D353 PolarHBondContact O-N 2.91Å
351	A	94.5	Very high	94.9	Very high	26 Å²	26	38.8 Å²	38.8	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-69.2	-29.1	-179.8	0	0	0	0	0	113.9	L15 L317 A347 I348	L15-A351 HydrophobicContact CD1-CB 3.98Å; L317-A351 HydrophobicContact CD1-CB 3.87Å; L317-A351 HydrophobicContact CD2-CB 3.49Å; L317-A351 VanDerWaalsContact CD2-CB 3.49Å; L317-A351 HydrophobicContact CG-CB 4.3Å; A347-A351 WeakPolarHBondContact O-CB 3.36Å; A347-A351 PolarHBondContact O-N 3.29Å; I348-A351 PolarHBondContact O-N 2.87Å
352	F	94.8	Very high	95	Very high	45 Å²	45	39.7 Å²	39.7	20%	0.197	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	13	177.4	-59.3	-77.7	0	0	0	113.4	L317 I320 Q321 M324 I348 E350 C354 F386	L317-F352 HydrophobicContact CD2-CD2 4.39Å; L317-F352 HydrophobicContact CD2-CE2 3.73Å; I320-F352 HydrophobicContact CB-CE2 3.97Å; I320-F352 HydrophobicContact CB-CZ 3.9Å; I320-F352 HydrophobicContact CD1-CE2 4.42Å; I320-F352 HydrophobicContact CG2-CD2 4.3Å; I320-F352 HydrophobicContact CG2-CE1 4.3Å; I320-F352 HydrophobicContact CG2-CE2 3.47Å; I320-F352 VanDerWaalsContact CG2-CE2 3.47Å; I320-F352 HydrophobicContact CG2-CZ 3.48Å; I320-F352 VanDerWaalsContact CG2-CZ 3.48Å; Q321-F352 HydrophobicContact CB-CE1 4.2Å; Q321-F352 HydrophobicContact CB-CZ 4.19Å; Q321-F352 HydrophobicContact CG-CE1 4.46Å; M324-F352 HydrophobicContact CE-CD1 4.43Å; M324-F352 HydrophobicContact SD-CD1 3.81Å; M324-F352 HydrophobicContact SD-CE1 3.72Å; M324-F352 HydrophobicContact SD-CG 4.39Å; M324-F352 HydrophobicContact SD-CZ 4.24Å; I348-F352 HydrophobicContact CG2-CD2 3.96Å; I348-F352 HydrophobicContact CG2-CE2 4.29Å; I348-F352 WeakPolarHBondContact O-CD2 3.47Å; I348-F352 PolarHBondContact O-N 3.24Å; I348-F352 VanDerWaalsContact O-N 3.15Å; E350-F352 VanDerWaalsContact C-N 3.34Å; E350-F352 PolarHBondContact O-N 2.79Å; F352-C354 VanDerWaalsContact C-N 3.31Å; F352-C354 PolarHBondContact O-N 2.94Å; F352-F386 HydrophobicContact CB-CE2 4.29Å; F352-F386 HydrophobicContact CB-CZ 3.88Å
353	D	94.9	Very high	95.1	Very high	120 Å²	120	40.7 Å²	40.7	64%	0.642	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	39.6	49.3	-177.7	-159.9	24.5	0	0	0	115.5	A349 E350 R377	A349-D353 CarbonylContact O-C 3.56Å; A349-D353 VanDerWaalsContact O-CA 3.27Å; A349-D353 WeakPolarHBondContact O-CA 3.39Å; A349-D353 PolarHBondContact O-N 2.8Å; A349-D353 VanDerWaalsContact O-N 3.15Å; E350-D353 PolarHBondContact O-N 2.91Å; D353-R377 IonicContact OD1-CZ 2.76Å; D353-R377 IonicContact OD1-NH1 3.98Å; D353-R377 PolarHBondContact OD1-NH1 2.84Å; D353-R377 IonicContact OD1-NH2 3.94Å; D353-R377 PolarHBondContact OD1-NH2 2.92Å
354	C	95.9	Very high	95.3	Very high	12 Å²	12	41 Å²	41	8%	0.081	20%	0.201	C	C	.	.			trans	-111.9	171.1	179.1	75.1	0	0	0	0	112.3	A349 F352 R377 F386	A349-C354 PolarHBondContact O-N 3.5Å; F352-C354 VanDerWaalsContact C-N 3.31Å; F352-C354 PolarHBondContact O-N 2.94Å; C354-R377 PolarHBondContact O-NH1 3.21Å; C354-F386 HydrophobicContact CB-CE1 3.77Å; C354-F386 HydrophobicContact CB-CE2 4.3Å; C354-F386 HydrophobicContact CB-CZ 3.59Å
355	K	97.8	Very high	95.4	Very high	98 Å²	98	41 Å²	41	43%	0.426	20%	0.202	S	C	.	.			trans	-81.6	167.9	166.1	-68.2	-170.9	-176.8	179.2	0	111	R377 T379 T385	K355-R377 CarbonylContact C-O 3.59Å; K355-R377 WeakPolarHBondContact CA-O 3.29Å; K355-R377 VanDerWaalsContact CB-O 3.23Å; K355-R377 WeakPolarHBondContact CB-O 3.5Å; K355-T379 HydrophobicContact CB-CG2 4.01Å; K355-T379 HydrophobicContact CD-CG2 4.38Å; K355-T385 HydrophobicContact CB-CG2 4.24Å; K355-T385 VanDerWaalsContact O-CB 3.29Å; K355-T385 WeakPolarHBondContact O-CB 3.28Å; K355-T385 WeakPolarHBondContact O-CG2 3.35Å; K355-T385 PolarHBondContact O-OG1 3.4Å
356	I	97.8	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	109	177.7	-45.1	-175.9	0	0	0	107.7	F345 A349 V358 L374 R377 L378 T379 L387 V389	F345-I356 HydrophobicContact CD2-CD1 4Å; F345-I356 HydrophobicContact CD2-CG2 4.12Å; A349-I356 HydrophobicContact CB-CD1 3.51Å; A349-I356 HydrophobicContact CB-CG1 3.38Å; I356-V358 HydrophobicContact CG2-CG1 3.92Å; I356-L374 HydrophobicContact CD1-CD1 3.6Å; I356-R377 HydrophobicContact CD1-CB 4.43Å; I356-R377 HydrophobicContact CG1-CB 4.2Å; I356-R377 PolarHBondContact N-O 3.03Å; I356-L378 HydrophobicContact CB-CD2 4.06Å; I356-L378 HydrophobicContact CD1-CD2 4.35Å; I356-T379 PolarHBondContact O-N 3.02Å; I356-L387 HydrophobicContact CG1-CD2 4.17Å; I356-V389 HydrophobicContact CG2-CG2 3.55Å
357	C	97.2	Very high	95.5	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.9	175	-164.6	0	0	0	0	110.4	T379 K382 T385 L387 H388 V389	C357-T379 WeakPolarHBondContact CA-O 2.96Å; C357-T379 HydrophobicContact CB-CG2 3.98Å; C357-K382 VanDerWaalsContact SG-CA 3.59Å; C357-K382 WeakPolarHBondContact SG-CG 3.4Å; C357-T385 HydrophobicContact CB-CG2 3.77Å; C357-L387 PolarHBondContact N-O 3.49Å; C357-H388 WeakPolarHBondContact CB-CD2 3.46Å; C357-H388 WeakPolarHBondContact O-CA 3.39Å; C357-V389 PolarHBondContact O-N 3.26Å
358	V	96.2	Very high	95.5	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	23%	0.227	C	C	.	.			trans	-133.2	156	-180	-53	0	0	0	0	110.3	I356 K362 M363 L366 L378 T379 L380 V389	I356-V358 HydrophobicContact CG2-CG1 3.92Å; V358-K362 HydrophobicContact CB-CB 4.29Å; V358-K362 HydrophobicContact CB-CG 4.26Å; V358-M363 HydrophobicContact CG2-CB 3.75Å; V358-M363 HydrophobicContact CG2-CE 4Å; V358-M363 HydrophobicContact CG2-SD 4.32Å; V358-L366 HydrophobicContact CG1-CD1 4.02Å; V358-L378 HydrophobicContact CG1-CD2 4.33Å; V358-T379 PolarHBondContact N-O 3Å; V358-L380 WeakPolarHBondContact O-CD2 3.29Å; V358-V389 HydrophobicContact CG1-CB 4.15Å; V358-V389 HydrophobicContact CG1-CG2 4.36Å
359	E	93.8	Very high	95.4	Very high	93 Å²	93	46.1 Å²	46.1	44%	0.435	23%	0.23	S	C	.	.			trans	-74.4	155.1	172.7	-61	-163	152.1	0	0	112.1	L361 K362 M363	E359-L361 PolarHBondContact O-N 2.73Å; E359-K362 WeakPolarHBondContact O-CA 3.46Å; E359-K362 PolarHBondContact O-N 2.68Å; E359-M363 PolarHBondContact O-N 2.78Å
360	K	95	Very high	95	Very high	150 Å²	150	50.4 Å²	50.4	65%	0.652	25%	0.253	S	S	*	.	H	α-helix	trans	-50.4	-35.9	-177.1	-173.5	175.2	-178.7	175.5	0	113.9	Q364	K360-Q364 WeakPolarHBondContact O-CG 3.43Å; K360-Q364 PolarHBondContact O-N 2.88Å; K360-Q364 VanDerWaalsContact O-N 3.15Å
361	L	93.3	Very high	94.8	Very high	110 Å²	110	49.3 Å²	49.3	58%	0.576	25%	0.248	S	C	*	.	H	α-helix	trans	-77.5	-25.3	179	-64.7	178.6	0	0	0	114	E359 V365	E359-L361 PolarHBondContact O-N 2.73Å; L361-V365 WeakPolarHBondContact O-CG2 3.48Å
362	K	94.8	Very high	94.7	Very high	26 Å²	26	49.6 Å²	49.6	11%	0.113	25%	0.251	C	S	.	.	H	α-helix	trans	-82.9	-40.6	171.7	-175.9	70.3	178.1	179	0	110	Y337 T338 E342 V358 E359 Q364 V365 L366	Y337-K362 PolarHBondContact O-NZ 3.47Å; T338-K362 PolarHBondContact O-NZ 2.86Å; E342-K362 WeakPolarHBondContact OE1-CE 3.43Å; E342-K362 IonicContact OE1-NZ 3.76Å; E342-K362 PolarHBondContact OE1-NZ 3.25Å; V358-K362 HydrophobicContact CB-CB 4.29Å; V358-K362 HydrophobicContact CB-CG 4.26Å; E359-K362 WeakPolarHBondContact O-CA 3.46Å; E359-K362 PolarHBondContact O-N 2.68Å; K362-Q364 VanDerWaalsContact C-N 3.32Å; K362-Q364 PolarHBondContact O-N 2.81Å; K362-V365 WeakPolarHBondContact O-CA 3.44Å; K362-V365 WeakPolarHBondContact O-CB 3.34Å; K362-V365 PolarHBondContact O-N 3.21Å; K362-L366 HydrophobicContact CD-CG 4.39Å; K362-L366 HydrophobicContact CG-CD1 4.12Å; K362-L366 HydrophobicContact CG-CG 4.2Å; K362-L366 WeakPolarHBondContact O-CG 3.42Å; K362-L366 PolarHBondContact O-N 3.03Å
363	M	95.7	Very high	94.5	Very high	30 Å²	30	50.8 Å²	50.8	15%	0.148	26%	0.263	C	S	.	.	H	α-helix	trans	-50.1	-50.1	170.1	-179.6	67.2	82.5	0	0	111.9	V358 E359 V365 L366 N367 L378 L380	V358-M363 HydrophobicContact CG2-CB 3.75Å; V358-M363 HydrophobicContact CG2-CE 4Å; V358-M363 HydrophobicContact CG2-SD 4.32Å; E359-M363 PolarHBondContact O-N 2.78Å; M363-V365 PolarHBondContact O-N 3.28Å; M363-L366 PolarHBondContact O-N 2.9Å; M363-N367 WeakPolarHBondContact O-CB 3.3Å; M363-N367 VanDerWaalsContact O-CG 3.26Å; M363-N367 PolarHBondContact O-N 3.45Å; M363-N367 PolarHBondContact O-ND2 3.21Å; M363-L378 HydrophobicContact CE-CB 3.62Å; M363-L378 HydrophobicContact SD-CB 3.72Å; M363-L378 HydrophobicContact SD-CD1 3.63Å; M363-L378 HydrophobicContact SD-CG 4.32Å; M363-L380 HydrophobicContact CB-CD2 3.82Å; M363-L380 HydrophobicContact CE-CD2 3.72Å; M363-L380 HydrophobicContact CE-CG 3.87Å; M363-L380 HydrophobicContact CG-CD2 4.08Å
364	Q	95.5	Very high	94.3	Very high	82 Å²	82	45.4 Å²	45.4	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-32.6	177.4	-77.9	179.4	-30.7	0	0	113.5	L217 K360 K362	L217-Q364 HydrophobicContact CD2-CB 4.23Å; L217-Q364 WeakPolarHBondContact CD2-O 3.38Å; K360-Q364 WeakPolarHBondContact O-CG 3.43Å; K360-Q364 PolarHBondContact O-N 2.88Å; K360-Q364 VanDerWaalsContact O-N 3.15Å; K362-Q364 VanDerWaalsContact C-N 3.32Å; K362-Q364 PolarHBondContact O-N 2.81Å
365	V	95.9	Very high	94.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-79.1	-44	178.8	164.8	0	0	0	0	111.4	L214 L217 K218 T338 I339 L361 K362 M363 N367 C368	L214-V365 HydrophobicContact CD2-CB 4.32Å; L214-V365 HydrophobicContact CD2-CG1 3.81Å; L214-V365 HydrophobicContact CD2-CG2 4.36Å; L217-V365 HydrophobicContact CD2-CG2 4.5Å; K218-V365 HydrophobicContact CD-CG2 3.72Å; K218-V365 HydrophobicContact CG-CG2 4.27Å; T338-V365 HydrophobicContact CG2-CG1 4.42Å; T338-V365 HydrophobicContact CG2-CG2 4.36Å; T338-V365 VanDerWaalsContact O-CG1 3.3Å; T338-V365 WeakPolarHBondContact O-CG1 3.39Å; I339-V365 HydrophobicContact CG2-CG1 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.48Å; K362-V365 WeakPolarHBondContact O-CA 3.44Å; K362-V365 WeakPolarHBondContact O-CB 3.34Å; K362-V365 PolarHBondContact O-N 3.21Å; M363-V365 PolarHBondContact O-N 3.28Å; V365-N367 VanDerWaalsContact C-N 3.27Å; V365-N367 PolarHBondContact O-N 3.07Å; V365-C368 WeakPolarHBondContact O-CB 3.21Å; V365-C368 PolarHBondContact O-N 3.21Å
366	L	95.7	Very high	94	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-33.5	177.5	-65	-177.4	0	0	0	112.2	E342 F345 V358 K362 M363 C368 L369 L374 L378	E342-L366 HydrophobicContact CG-CD2 3.53Å; E342-L366 WeakPolarHBondContact OE1-CD2 3.16Å; F345-L366 HydrophobicContact CE2-CD1 4.11Å; F345-L366 HydrophobicContact CZ-CD1 4.21Å; F345-L366 HydrophobicContact CZ-CD2 4.17Å; V358-L366 HydrophobicContact CG1-CD1 4.02Å; K362-L366 HydrophobicContact CD-CG 4.39Å; K362-L366 HydrophobicContact CG-CD1 4.12Å; K362-L366 HydrophobicContact CG-CG 4.2Å; K362-L366 WeakPolarHBondContact O-CG 3.42Å; K362-L366 PolarHBondContact O-N 3.03Å; M363-L366 PolarHBondContact O-N 2.9Å; L366-C368 PolarHBondContact O-N 3.16Å; L366-C368 VanDerWaalsContact O-N 3.14Å; L366-L369 HydrophobicContact CD2-CD1 3.62Å; L366-L369 WeakPolarHBondContact O-CB 3.45Å; L366-L369 WeakPolarHBondContact O-CG 3.36Å; L366-L369 PolarHBondContact O-N 3Å; L366-L369 VanDerWaalsContact O-N 3.16Å; L366-L374 HydrophobicContact CD2-CD2 4.37Å; L366-L378 HydrophobicContact CB-CD1 3.63Å; L366-L378 HydrophobicContact CD1-CD1 3.91Å; L366-L378 HydrophobicContact CD1-CD2 3.73Å; L366-L378 HydrophobicContact CG-CD1 4.43Å
367	N	95.5	Very high	93.9	Very high	73 Å²	73	55.2 Å²	55.2	39%	0.39	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.3	173.3	-73.8	-19.6	0	0	0	114.4	M363 V365 R375	M363-N367 WeakPolarHBondContact O-CB 3.3Å; M363-N367 VanDerWaalsContact O-CG 3.26Å; M363-N367 PolarHBondContact O-N 3.45Å; M363-N367 PolarHBondContact O-ND2 3.21Å; V365-N367 VanDerWaalsContact C-N 3.27Å; V365-N367 PolarHBondContact O-N 3.07Å; N367-R375 WeakPolarHBondContact OD1-CG 3.37Å
368	C	95.3	Very high	93.9	Very high	27 Å²	27	55.9 Å²	55.9	18%	0.182	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.7	174.8	-71.2	0	0	0	0	114.3	L214 V365 L366	L214-C368 HydrophobicContact CD2-CB 3.72Å; L214-C368 HydrophobicContact CG-CB 4.2Å; V365-C368 WeakPolarHBondContact O-CB 3.21Å; V365-C368 PolarHBondContact O-N 3.21Å; L366-C368 PolarHBondContact O-N 3.16Å; L366-C368 VanDerWaalsContact O-N 3.14Å
369	L	93.2	Very high	94	Very high	12 Å²	12	56.1 Å²	56.1	6%	0.063	28%	0.278	C	S	.	.	S	Bend	trans	-91.8	3.6	-171.4	-53.8	-172.8	0	0	0	114.7	I210 L214 P252 I339 E342 L366 D371	I210-L369 WeakPolarHBondContact CD1-O 3.47Å; I210-L369 HydrophobicContact CG2-CD2 3.61Å; L214-L369 HydrophobicContact CD1-CD2 4.35Å; P252-L369 HydrophobicContact CB-CB 4.49Å; P252-L369 HydrophobicContact CB-CD1 3.92Å; P252-L369 HydrophobicContact CB-CD2 3.75Å; P252-L369 HydrophobicContact CB-CG 4.25Å; P252-L369 HydrophobicContact CG-CD1 3.98Å; I339-L369 HydrophobicContact CG2-CD2 4.28Å; E342-L369 HydrophobicContact CG-CD1 3.79Å; L366-L369 HydrophobicContact CD2-CD1 3.62Å; L366-L369 WeakPolarHBondContact O-CB 3.45Å; L366-L369 WeakPolarHBondContact O-CG 3.36Å; L366-L369 PolarHBondContact O-N 3Å; L366-L369 VanDerWaalsContact O-N 3.16Å; L369-D371 PolarHBondContact O-N 3.49Å
370	D	88.5	Confident	94.1	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	28%	0.279	S	S	.	.			trans	56.4	10	-174.4	-70.1	-49.2	0	0	0	115.9	K209 A372	K209-D370 WeakPolarHBondContact CD-OD2 3.38Å; K209-D370 VanDerWaalsContact CE-OD2 3.31Å; K209-D370 WeakPolarHBondContact CE-OD2 3.15Å; K209-D370 IonicContact NZ-OD1 2.7Å; K209-D370 PolarHBondContact NZ-OD1 3Å; K209-D370 IonicContact NZ-OD2 3.33Å; K209-D370 PolarHBondContact NZ-OD2 3.25Å; D370-A372 PolarHBondContact O-N 3.21Å
371	D	90.5	Very high	94.2	Very high	26 Å²	26	53.8 Å²	53.8	14%	0.139	27%	0.272	C	S	.	.			trans	-88.5	105.4	179.4	-170.6	-23.9	0	0	0	111.2	F3 L369 P373 L374 R375	F3-D371 WeakPolarHBondContact CB-OD2 3.47Å; L369-D371 PolarHBondContact O-N 3.49Å; D371-P373 WeakPolarHBondContact OD1-CD 3.42Å; D371-L374 HydrophobicContact CB-CB 3.92Å; D371-L374 HydrophobicContact CB-CD2 4.44Å; D371-L374 VanDerWaalsContact OD1-CB 3.3Å; D371-L374 WeakPolarHBondContact OD1-CB 3.31Å; D371-L374 PolarHBondContact OD1-N 2.99Å; D371-L374 WeakPolarHBondContact OD2-CB 3.42Å; D371-R375 VanDerWaalsContact O-CB 3.22Å; D371-R375 WeakPolarHBondContact O-CB 3.41Å; D371-R375 PolarHBondContact O-N 2.98Å
372	A	91.2	Very high	94.1	Very high	32 Å²	32	52 Å²	52	26%	0.264	26%	0.259	S	S	.	.	H	α-helix	trans	-74.7	-49	179.4	0	0	0	0	0	113.5	D370 L374 R375 E376	D370-A372 PolarHBondContact O-N 3.21Å; A372-L374 VanDerWaalsContact C-N 3.3Å; A372-L374 PolarHBondContact O-N 2.95Å; A372-R375 WeakPolarHBondContact O-CB 3.44Å; A372-R375 PolarHBondContact O-N 3.01Å; A372-R375 VanDerWaalsContact O-N 3.09Å; A372-E376 WeakPolarHBondContact O-CG 3.18Å; A372-E376 PolarHBondContact O-N 3.42Å
373	P	90.4	Very high	93.9	Very high	71 Å²	71	58.7 Å²	58.7	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-55.3	-40.6	174.9	-27.8	35.9	0	0	0	113.8	D371 R377	D371-P373 WeakPolarHBondContact OD1-CD 3.42Å; P373-R377 PolarHBondContact O-N 3.41Å
374	L	91.8	Very high	93.6	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-51	173.4	176.1	56.2	0	0	0	111	E342 F345 A346 I356 L366 D371 A372 E376 R377 L378	E342-L374 HydrophobicContact CB-CD2 4.39Å; E342-L374 HydrophobicContact CG-CD2 4.17Å; F345-L374 HydrophobicContact CE2-CD1 4.24Å; A346-L374 HydrophobicContact CB-CD1 4.08Å; I356-L374 HydrophobicContact CD1-CD1 3.6Å; L366-L374 HydrophobicContact CD2-CD2 4.37Å; D371-L374 HydrophobicContact CB-CB 3.92Å; D371-L374 HydrophobicContact CB-CD2 4.44Å; D371-L374 VanDerWaalsContact OD1-CB 3.3Å; D371-L374 WeakPolarHBondContact OD1-CB 3.31Å; D371-L374 PolarHBondContact OD1-N 2.99Å; D371-L374 WeakPolarHBondContact OD2-CB 3.42Å; A372-L374 VanDerWaalsContact C-N 3.3Å; A372-L374 PolarHBondContact O-N 2.95Å; L374-E376 VanDerWaalsContact C-N 3.31Å; L374-E376 PolarHBondContact O-N 3.24Å; L374-R377 PolarHBondContact O-N 3.33Å; L374-R377 VanDerWaalsContact O-N 3.09Å; L374-L378 HydrophobicContact CD1-CD2 3.89Å; L374-L378 HydrophobicContact CG-CD2 4.27Å; L374-L378 WeakPolarHBondContact O-CG 3.4Å; L374-L378 PolarHBondContact O-N 3.07Å
375	R	93.5	Very high	93.7	Very high	111 Å²	111	57.1 Å²	57.1	42%	0.419	28%	0.283	S	S	.	.	H	α-helix	trans	-57.4	-40.9	-177.3	-179.6	175.4	64.4	-134.1	-4.6	112.7	N367 D371 A372 R377 L378	N367-R375 WeakPolarHBondContact OD1-CG 3.37Å; D371-R375 VanDerWaalsContact O-CB 3.22Å; D371-R375 WeakPolarHBondContact O-CB 3.41Å; D371-R375 PolarHBondContact O-N 2.98Å; A372-R375 WeakPolarHBondContact O-CB 3.44Å; A372-R375 PolarHBondContact O-N 3.01Å; A372-R375 VanDerWaalsContact O-N 3.09Å; R375-R377 VanDerWaalsContact C-N 3.27Å; R375-R377 PolarHBondContact O-N 2.83Å; R375-L378 PolarHBondContact O-N 3.21Å; R375-L378 VanDerWaalsContact O-N 3.16Å
376	E	94.2	Very high	93.7	Very high	143 Å²	143	59.2 Å²	59.2	67%	0.668	29%	0.293	S	S	*	.	H	α-helix	trans	-65.9	-28.4	178.8	-74.4	164.4	-152.8	0	0	112.9	A372 L374	A372-E376 WeakPolarHBondContact O-CG 3.18Å; A372-E376 PolarHBondContact O-N 3.42Å; L374-E376 VanDerWaalsContact C-N 3.31Å; L374-E376 PolarHBondContact O-N 3.24Å
377	R	95.6	Very high	93.8	Very high	63 Å²	63	59.1 Å²	59.1	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-82.9	-11.1	173.8	-67.2	-172.5	176.1	-79.9	-7.2	113.9	A349 D353 C354 K355 I356 P373 L374 R375	A349-R377 PolarHBondContact O-NH1 2.93Å; D353-R377 IonicContact OD1-CZ 2.76Å; D353-R377 IonicContact OD1-NH1 3.98Å; D353-R377 PolarHBondContact OD1-NH1 2.84Å; D353-R377 IonicContact OD1-NH2 3.94Å; D353-R377 PolarHBondContact OD1-NH2 2.92Å; C354-R377 PolarHBondContact O-NH1 3.21Å; K355-R377 CarbonylContact C-O 3.59Å; K355-R377 WeakPolarHBondContact CA-O 3.29Å; K355-R377 VanDerWaalsContact CB-O 3.23Å; K355-R377 WeakPolarHBondContact CB-O 3.5Å; I356-R377 HydrophobicContact CD1-CB 4.43Å; I356-R377 HydrophobicContact CG1-CB 4.2Å; I356-R377 PolarHBondContact N-O 3.03Å; P373-R377 PolarHBondContact O-N 3.41Å; L374-R377 PolarHBondContact O-N 3.33Å; L374-R377 VanDerWaalsContact O-N 3.09Å; R375-R377 VanDerWaalsContact C-N 3.27Å; R375-R377 PolarHBondContact O-N 2.83Å
378	L	96.8	Very high	93.9	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	144.4	-177.1	-55	-177.4	0	0	0	112.6	I356 V358 M363 L366 L374 R375	I356-L378 HydrophobicContact CB-CD2 4.06Å; I356-L378 HydrophobicContact CD1-CD2 4.35Å; V358-L378 HydrophobicContact CG1-CD2 4.33Å; M363-L378 HydrophobicContact CE-CB 3.62Å; M363-L378 HydrophobicContact SD-CB 3.72Å; M363-L378 HydrophobicContact SD-CD1 3.63Å; M363-L378 HydrophobicContact SD-CG 4.32Å; L366-L378 HydrophobicContact CB-CD1 3.63Å; L366-L378 HydrophobicContact CD1-CD1 3.91Å; L366-L378 HydrophobicContact CD1-CD2 3.73Å; L366-L378 HydrophobicContact CG-CD1 4.43Å; L374-L378 HydrophobicContact CD1-CD2 3.89Å; L374-L378 HydrophobicContact CG-CD2 4.27Å; L374-L378 WeakPolarHBondContact O-CG 3.4Å; L374-L378 PolarHBondContact O-N 3.07Å; R375-L378 PolarHBondContact O-N 3.21Å; R375-L378 VanDerWaalsContact O-N 3.16Å
379	T	97.7	Very high	93.9	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.9	168.2	-171.4	0	0	0	0	111.8	K355 I356 C357 V358 Q381 D384 T385	K355-T379 HydrophobicContact CB-CG2 4.01Å; K355-T379 HydrophobicContact CD-CG2 4.38Å; I356-T379 PolarHBondContact O-N 3.02Å; C357-T379 WeakPolarHBondContact CA-O 2.96Å; C357-T379 HydrophobicContact CB-CG2 3.98Å; V358-T379 PolarHBondContact N-O 3Å; T379-Q381 WeakPolarHBondContact OG1-CB 3.23Å; T379-Q381 PolarHBondContact OG1-N 3.05Å; T379-D384 HydrophobicContact CG2-CB 4.32Å; T379-T385 HydrophobicContact CG2-CG2 4.06Å
380	L	97	Very high	93.7	Very high	86 Å²	86	55 Å²	55	45%	0.45	27%	0.268	S	S	.	.	S	Bend	trans	-95.5	-8.5	165.5	-59.7	-179.3	0	0	0	111.8	V358 M363 K382	V358-L380 WeakPolarHBondContact O-CD2 3.29Å; M363-L380 HydrophobicContact CB-CD2 3.82Å; M363-L380 HydrophobicContact CE-CD2 3.72Å; M363-L380 HydrophobicContact CE-CG 3.87Å; M363-L380 HydrophobicContact CG-CD2 4.08Å; L380-K382 PolarHBondContact O-N 2.88Å
381	Q	95.3	Very high	93.5	Very high	108 Å²	108	54 Å²	54	51%	0.505	27%	0.267	S	S	.	.			trans	-90.1	102.3	-173.1	-59.7	-66.1	1.9	0	0	110.8	T379 K383 D384	T379-Q381 WeakPolarHBondContact OG1-CB 3.23Å; T379-Q381 PolarHBondContact OG1-N 3.05Å; Q381-K383 HydrophobicContact CB-CG 4.5Å; Q381-K383 PolarHBondContact O-N 3.22Å; Q381-D384 HydrophobicContact CB-CB 4.13Å; Q381-D384 VanDerWaalsContact CB-OD1 3.3Å; Q381-D384 WeakPolarHBondContact CB-OD1 3.42Å; Q381-D384 WeakPolarHBondContact CB-OD2 3.18Å; Q381-D384 PolarHBondContact O-N 2.98Å
382	K	92.1	Very high	92.5	Very high	71 Å²	71	56.8 Å²	56.8	31%	0.309	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	17.4	-177.4	-56.9	168.2	106.9	-170.3	0	114.4	C357 L380 H388 Y399 Y403	C357-K382 VanDerWaalsContact SG-CA 3.59Å; C357-K382 WeakPolarHBondContact SG-CG 3.4Å; L380-K382 PolarHBondContact O-N 2.88Å; K382-H388 PolarHBondContact O-CE1 3.05Å; K382-H388 PolarHBondContact O-NE2 3.32Å; K382-Y399 WeakPolarHBondContact CE-OH 3.39Å; K382-Y403 HydrophobicContact CB-CE1 3.73Å; K382-Y403 WeakPolarHBondContact CB-OH 3.25Å; K382-Y403 WeakPolarHBondContact CD-OH 3.38Å; K382-Y403 WeakPolarHBondContact CE-OH 3.15Å; K382-Y403 PolarHBondContact NZ-OH 2.71Å; K382-Y403 WeakPolarHBondContact O-CE1 3.31Å
383	K	90.6	Very high	91.2	Very high	167 Å²	167	59.4 Å²	59.4	73%	0.726	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	-13.1	177.5	65.8	167.4	-171.8	168.1	0	112.8	Q381 T385	Q381-K383 HydrophobicContact CB-CG 4.5Å; Q381-K383 PolarHBondContact O-N 3.22Å; K383-T385 VanDerWaalsContact C-N 3.29Å
384	D	90.4	Very high	90.2	Very high	71 Å²	71	58.3 Å²	58.3	38%	0.38	30%	0.295	S	S	.	.	S	Bend	trans	-84.9	-3.5	-175.8	-68.6	14.8	0	0	0	112.1	T379 Q381	T379-D384 HydrophobicContact CG2-CB 4.32Å; Q381-D384 HydrophobicContact CB-CB 4.13Å; Q381-D384 VanDerWaalsContact CB-OD1 3.3Å; Q381-D384 WeakPolarHBondContact CB-OD1 3.42Å; Q381-D384 WeakPolarHBondContact CB-OD2 3.18Å; Q381-D384 PolarHBondContact O-N 2.98Å
385	T	96.7	Very high	89.8	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.049	32%	0.322	C	S	.	.			trans	-162.7	154.5	-175.6	-179.5	0	0	0	0	111.3	K355 C357 T379 K383 L387 H388 Y406	K355-T385 HydrophobicContact CB-CG2 4.24Å; K355-T385 VanDerWaalsContact O-CB 3.29Å; K355-T385 WeakPolarHBondContact O-CB 3.28Å; K355-T385 WeakPolarHBondContact O-CG2 3.35Å; K355-T385 PolarHBondContact O-OG1 3.4Å; C357-T385 HydrophobicContact CB-CG2 3.77Å; T379-T385 HydrophobicContact CG2-CG2 4.06Å; K383-T385 VanDerWaalsContact C-N 3.29Å; T385-L387 WeakPolarHBondContact CG2-O 3.27Å; T385-L387 PolarHBondContact OG1-N 3.13Å; T385-H388 PolarHBondContact O-NE2 2.97Å; T385-Y406 PolarHBondContact O-OH 2.81Å
386	F	96.6	Very high	89.6	Confident	46 Å²	46	60.1 Å²	60.1	20%	0.202	31%	0.307	C	S	.	.	S	Bend	trans	-86.6	-0.3	168.8	55.2	-95.5	0	0	0	113.4	M324 I332 F352 C354 Y406	M324-F386 HydrophobicContact CE-CE2 4.23Å; M324-F386 HydrophobicContact CE-CZ 4.21Å; I332-F386 HydrophobicContact CD1-CD2 3.91Å; I332-F386 HydrophobicContact CD1-CE2 4.02Å; I332-F386 HydrophobicContact CG1-CD2 4.26Å; I332-F386 PolarHBondContact N-O 3.28Å; F352-F386 HydrophobicContact CB-CE2 4.29Å; F352-F386 HydrophobicContact CB-CZ 3.88Å; C354-F386 HydrophobicContact CB-CE1 3.77Å; C354-F386 HydrophobicContact CB-CE2 4.3Å; C354-F386 HydrophobicContact CB-CZ 3.59Å; F386-Y406 WeakPolarHBondContact CA-OH 3.3Å; F386-Y406 HydrophobicContact CB-CE1 3.91Å
387	L	97.7	Very high	89.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.4	-177.8	177.6	61.9	0	0	0	111.4	I332 I334 I348 A349 I356 C357 T385	I332-L387 HydrophobicContact CB-CD1 4.12Å; I332-L387 HydrophobicContact CG2-CD1 3.83Å; I334-L387 HydrophobicContact CD1-CD1 3.62Å; I334-L387 HydrophobicContact CG1-CD1 3.95Å; I348-L387 HydrophobicContact CB-CD2 4.36Å; I348-L387 HydrophobicContact CG2-CD1 4.01Å; I348-L387 HydrophobicContact CG2-CD2 4.02Å; A349-L387 HydrophobicContact CB-CD2 3.67Å; I356-L387 HydrophobicContact CG1-CD2 4.17Å; C357-L387 PolarHBondContact N-O 3.49Å; T385-L387 WeakPolarHBondContact CG2-O 3.27Å; T385-L387 PolarHBondContact OG1-N 3.13Å
388	H	96.6	Very high	89	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.7	-179.2	-67.4	-179.7	0	0	0	110.9	I332 V333 I334 C357 K382 T385 Y399	I332-H388 PolarHBondContact O-N 3.39Å; V333-H388 CarbonylContact C-O 3.54Å; V333-H388 WeakPolarHBondContact CA-O 3.48Å; V333-H388 HydrophobicContact CG2-CB 4.43Å; I334-H388 PolarHBondContact N-O 3.2Å; C357-H388 WeakPolarHBondContact CB-CD2 3.46Å; C357-H388 WeakPolarHBondContact O-CA 3.39Å; K382-H388 PolarHBondContact O-CE1 3.05Å; K382-H388 PolarHBondContact O-NE2 3.32Å; T385-H388 PolarHBondContact O-NE2 2.97Å; H388-Y399 HydrophobicContact CB-CE1 4.47Å; H388-Y399 AromaticContact ND1-CE1 3.5Å; H388-Y399 AromaticContact ND1-CZ 3.69Å; H388-Y399 PolarHBondContact ND1-OH 2.92Å; H388-Y399 VanDerWaalsContact ND1-OH 3.08Å
389	V	95.5	Very high	88.7	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.3	172.5	-177	0	0	0	0	109.8	I334 A336 F345 I356 C357 V358	I334-V389 WeakPolarHBondContact O-CA 3.15Å; A336-V389 HydrophobicContact CB-CG1 3.68Å; F345-V389 HydrophobicContact CB-CG2 3.89Å; F345-V389 HydrophobicContact CD1-CG1 4.02Å; F345-V389 HydrophobicContact CD1-CG2 3.82Å; F345-V389 HydrophobicContact CD2-CG2 4.05Å; F345-V389 HydrophobicContact CE1-CG1 3.85Å; F345-V389 HydrophobicContact CE1-CG2 4.24Å; F345-V389 HydrophobicContact CE2-CG2 4.43Å; F345-V389 HydrophobicContact CG-CG2 3.7Å; F345-V389 HydrophobicContact CZ-CG1 4.38Å; I356-V389 HydrophobicContact CG2-CG2 3.55Å; C357-V389 PolarHBondContact O-N 3.26Å; V358-V389 HydrophobicContact CG1-CB 4.15Å; V358-V389 HydrophobicContact CG1-CG2 4.36Å
390	M	89.5	Confident	88.4	Confident	17 Å²	17	59.5 Å²	59.5	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.5	-171.6	-67.2	-168.4	78.2	0	0	112.7	V333 I334 G335 A336 S394 Y399	V333-M390 HydrophobicContact CG1-CB 4.13Å; V333-M390 HydrophobicContact CG1-CG 3.97Å; V333-M390 HydrophobicContact CG1-SD 3.73Å; I334-M390 PolarHBondContact O-N 2.99Å; G335-M390 CarbonylContact C-O 3.51Å; G335-M390 WeakPolarHBondContact CA-O 2.97Å; A336-M390 PolarHBondContact N-O 3.34Å; M390-S394 WeakPolarHBondContact CE-OG 3.36Å; M390-Y399 HydrophobicContact CE-CD2 3.69Å; M390-Y399 HydrophobicContact CE-CE2 3.38Å; M390-Y399 HydrophobicContact CE-CG 4.41Å; M390-Y399 HydrophobicContact SD-CD1 3.92Å; M390-Y399 HydrophobicContact SD-CD2 3.8Å; M390-Y399 HydrophobicContact SD-CE1 3.53Å; M390-Y399 VanDerWaalsContact SD-CE1 3.53Å; M390-Y399 HydrophobicContact SD-CE2 3.42Å; M390-Y399 WeakPolarHBondContact SD-CE2 3.48Å; M390-Y399 HydrophobicContact SD-CG 4.02Å
391	P	84.3	Confident	88.2	Confident	71 Å²	71	63.4 Å²	63.4	46%	0.461	32%	0.324	S	S	.	.			trans	-57.5	139.7	164.9	-21.7	33.9	0	0	0	111.6	A393 S394	P391-A393 PolarHBondContact O-N 3.15Å; P391-S394 PolarHBondContact O-N 2.85Å; P391-S394 PolarHBondContact O-OG 3.19Å
392	M	69	Low	88	Confident	84 Å²	84	62.8 Å²	62.8	41%	0.414	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-1.8	-173.2	-62.8	172.8	72.8	0	0	116.1	Y337 L413 T415	Y337-M392 HydrophobicContact CD1-SD 3.86Å; Y337-M392 HydrophobicContact CE1-SD 4.31Å; M392-L413 HydrophobicContact CB-CD2 4.46Å; M392-L413 HydrophobicContact CE-CD2 4.26Å; M392-T415 HydrophobicContact CE-CG2 3.84Å
393	A	65.1	Low	87.9	Confident	87 Å²	87	60.6 Å²	60.6	72%	0.719	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	5.9	-175.7	0	0	0	0	0	114.4	P391	P391-A393 PolarHBondContact O-N 3.15Å
394	S	68.5	Low	87.8	Confident	48 Å²	48	58.6 Å²	58.6	34%	0.336	32%	0.321	S	S	.	.			trans	-81	131	-175.8	-63.2	0	0	0	0	113.4	M390 P391 L396	M390-S394 WeakPolarHBondContact CE-OG 3.36Å; P391-S394 PolarHBondContact O-N 2.85Å; P391-S394 PolarHBondContact O-OG 3.19Å; S394-L396 PolarHBondContact O-N 2.82Å
395	K	83.3	Confident	87.9	Confident	133 Å²	133	58.7 Å²	58.7	58%	0.578	33%	0.327	S	S	*	.			trans	-71.3	106.8	175.4	-68.3	170.4	172.4	178.2	0	111.1	T397 E398 Y399	K395-T397 VanDerWaalsContact C-N 3.33Å; K395-T397 PolarHBondContact O-N 3.08Å; K395-E398 HydrophobicContact CB-CB 4.18Å; K395-E398 HydrophobicContact CB-CG 4.41Å; K395-E398 HydrophobicContact CD-CG 4.23Å; K395-E398 WeakPolarHBondContact CD-OE1 3.15Å; K395-E398 WeakPolarHBondContact CD-OE2 3.27Å; K395-E398 WeakPolarHBondContact CE-OE1 3.37Å; K395-E398 IonicContact NZ-OE1 3.93Å; K395-E398 PolarHBondContact NZ-OE1 2.65Å; K395-E398 IonicContact NZ-OE2 2.68Å; K395-E398 PolarHBondContact NZ-OE2 3.14Å; K395-E398 PolarHBondContact O-N 2.95Å; K395-Y399 PolarHBondContact O-N 3.16Å
396	L	89.2	Confident	87.8	Confident	22 Å²	22	60.1 Å²	60.1	12%	0.115	33%	0.332	C	S	.	.	H	α-helix	trans	-58.1	-40.7	-176.2	-62.6	172.6	0	0	0	113.4	V333 S394 E398 Y399 L400 V409 V436 L438	V333-L396 HydrophobicContact CB-CD2 3.84Å; V333-L396 HydrophobicContact CG1-CD2 3.88Å; V333-L396 HydrophobicContact CG2-CD2 4.24Å; S394-L396 PolarHBondContact O-N 2.82Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.08Å; L396-Y399 PolarHBondContact O-N 3.14Å; L396-L400 WeakPolarHBondContact O-CB 3.32Å; L396-L400 PolarHBondContact O-N 3.44Å; L396-V409 HydrophobicContact CB-CG1 3.89Å; L396-V409 HydrophobicContact CD2-CG2 4.22Å; L396-V436 HydrophobicContact CB-CG1 4.04Å; L396-V436 HydrophobicContact CD1-CG1 3.86Å; L396-L438 HydrophobicContact CD1-CD1 3.81Å
397	T	87.9	Confident	87.8	Confident	72 Å²	72	63.4 Å²	63.4	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-27.7	-179.5	-29.2	0	0	0	0	113.7	K395 K401 V436	K395-T397 VanDerWaalsContact C-N 3.33Å; K395-T397 PolarHBondContact O-N 3.08Å; T397-K401 WeakPolarHBondContact O-CG 3.33Å; T397-V436 HydrophobicContact CG2-CG2 4.31Å
398	E	89.3	Confident	87.7	Confident	108 Å²	108	63.5 Å²	63.5	51%	0.505	35%	0.348	S	S	.	.	H	α-helix	trans	-81.6	-36.3	171.9	-74.2	173.9	-161.8	0	0	110.7	K395 L396 K401	K395-E398 HydrophobicContact CB-CB 4.18Å; K395-E398 HydrophobicContact CB-CG 4.41Å; K395-E398 HydrophobicContact CD-CG 4.23Å; K395-E398 WeakPolarHBondContact CD-OE1 3.15Å; K395-E398 WeakPolarHBondContact CD-OE2 3.27Å; K395-E398 WeakPolarHBondContact CE-OE1 3.37Å; K395-E398 IonicContact NZ-OE1 3.93Å; K395-E398 PolarHBondContact NZ-OE1 2.65Å; K395-E398 IonicContact NZ-OE2 2.68Å; K395-E398 PolarHBondContact NZ-OE2 3.14Å; K395-E398 PolarHBondContact O-N 2.95Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.08Å; E398-K401 PolarHBondContact O-N 3.03Å
399	Y	90.4	Very high	87.7	Confident	23 Å²	23	63.4 Å²	63.4	9%	0.09	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-42.8	177.4	-166.5	-110.3	0	0	0	112.9	L331 V333 K382 H388 M390 K395 L396 K401 V402 Y403	L331-Y399 HydrophobicContact CD2-CD1 4.03Å; L331-Y399 HydrophobicContact CD2-CE1 4.11Å; V333-Y399 HydrophobicContact CG2-CD1 3.86Å; V333-Y399 HydrophobicContact CG2-CE1 3.82Å; K382-Y399 WeakPolarHBondContact CE-OH 3.39Å; H388-Y399 HydrophobicContact CB-CE1 4.47Å; H388-Y399 AromaticContact ND1-CE1 3.5Å; H388-Y399 AromaticContact ND1-CZ 3.69Å; H388-Y399 PolarHBondContact ND1-OH 2.92Å; H388-Y399 VanDerWaalsContact ND1-OH 3.08Å; M390-Y399 HydrophobicContact CE-CD2 3.69Å; M390-Y399 HydrophobicContact CE-CE2 3.38Å; M390-Y399 HydrophobicContact CE-CG 4.41Å; M390-Y399 HydrophobicContact SD-CD1 3.92Å; M390-Y399 HydrophobicContact SD-CD2 3.8Å; M390-Y399 HydrophobicContact SD-CE1 3.53Å; M390-Y399 VanDerWaalsContact SD-CE1 3.53Å; M390-Y399 HydrophobicContact SD-CE2 3.42Å; M390-Y399 WeakPolarHBondContact SD-CE2 3.48Å; M390-Y399 HydrophobicContact SD-CG 4.02Å; K395-Y399 PolarHBondContact O-N 3.16Å; L396-Y399 PolarHBondContact O-N 3.14Å; Y399-K401 VanDerWaalsContact C-N 3.26Å; Y399-K401 PolarHBondContact O-N 3.37Å; Y399-V402 WeakPolarHBondContact O-CB 3.42Å; Y399-V402 PolarHBondContact O-N 3.01Å; Y399-V402 VanDerWaalsContact O-N 3.07Å; Y399-Y403 HydrophobicContact CD1-CD2 4.39Å; Y399-Y403 HydrophobicContact CD1-CE2 4.06Å; Y399-Y403 HydrophobicContact CD2-CE2 4.22Å; Y399-Y403 HydrophobicContact CE1-CD2 4.28Å; Y399-Y403 AromaticContact CE1-CE2 3.69Å; Y399-Y403 HydrophobicContact CE1-CE2 3.69Å; Y399-Y403 AromaticContact CE2-CE2 3.83Å; Y399-Y403 HydrophobicContact CE2-CE2 3.83Å; Y399-Y403 HydrophobicContact CG-CE2 4.33Å; Y399-Y403 AromaticContact CZ-CE2 3.57Å; Y399-Y403 VanDerWaalsContact O-CD2 3.29Å; Y399-Y403 WeakPolarHBondContact O-CD2 3.43Å
400	L	91.9	Very high	87.7	Confident	18 Å²	18	63 Å²	63	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-36.9	178.3	179.7	60.5	0	0	0	112.2	L331 L396 V402 Y403 V409 A435	L331-L400 HydrophobicContact CD2-CD1 4.45Å; L396-L400 WeakPolarHBondContact O-CB 3.32Å; L396-L400 PolarHBondContact O-N 3.44Å; L400-V402 PolarHBondContact O-N 3.35Å; L400-V402 VanDerWaalsContact O-N 3.11Å; L400-Y403 CarbonylContact O-C 3.56Å; L400-Y403 PolarHBondContact O-N 3.36Å; L400-V409 HydrophobicContact CB-CB 4.46Å; L400-V409 HydrophobicContact CB-CG1 4.11Å; L400-V409 HydrophobicContact CD1-CB 4.34Å; L400-V409 HydrophobicContact CD2-CB 4.44Å; L400-V409 HydrophobicContact CD2-CG1 4.1Å; L400-A435 HydrophobicContact CD2-CB 4.07Å; L400-A435 WeakPolarHBondContact CD2-O 3.48Å
401	K	91.7	Very high	88	Confident	169 Å²	169	62.3 Å²	62.3	74%	0.735	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.5	177.4	-68.1	173.5	-176.4	-178.4	0	114	T397 E398 Y399 Y403	T397-K401 WeakPolarHBondContact O-CG 3.33Å; E398-K401 PolarHBondContact O-N 3.03Å; Y399-K401 VanDerWaalsContact C-N 3.26Å; Y399-K401 PolarHBondContact O-N 3.37Å; K401-Y403 VanDerWaalsContact C-N 3.27Å
402	V	91.3	Very high	88.4	Confident	94 Å²	94	59 Å²	59	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-16.4	175.9	-174.3	0	0	0	0	111.6	Y399 L400 P404	Y399-V402 WeakPolarHBondContact O-CB 3.42Å; Y399-V402 PolarHBondContact O-N 3.01Å; Y399-V402 VanDerWaalsContact O-N 3.07Å; L400-V402 PolarHBondContact O-N 3.35Å; L400-V402 VanDerWaalsContact O-N 3.11Å; V402-P404 WeakPolarHBondContact O-CD 3.47Å
403	Y	90.5	Very high	89.5	Confident	26 Å²	26	56.4 Å²	56.4	10%	0.102	31%	0.308	C	S	.	.			trans	-127.5	76	-173.3	-55.1	-78.5	0	0	0	111.8	L331 K382 Y399 L400 K401 S405 Y406	L331-Y403 HydrophobicContact CD2-CD2 4.26Å; K382-Y403 HydrophobicContact CB-CE1 3.73Å; K382-Y403 WeakPolarHBondContact CB-OH 3.25Å; K382-Y403 WeakPolarHBondContact CD-OH 3.38Å; K382-Y403 WeakPolarHBondContact CE-OH 3.15Å; K382-Y403 PolarHBondContact NZ-OH 2.71Å; K382-Y403 WeakPolarHBondContact O-CE1 3.31Å; Y399-Y403 HydrophobicContact CD1-CD2 4.39Å; Y399-Y403 HydrophobicContact CD1-CE2 4.06Å; Y399-Y403 HydrophobicContact CD2-CE2 4.22Å; Y399-Y403 HydrophobicContact CE1-CD2 4.28Å; Y399-Y403 AromaticContact CE1-CE2 3.69Å; Y399-Y403 HydrophobicContact CE1-CE2 3.69Å; Y399-Y403 AromaticContact CE2-CE2 3.83Å; Y399-Y403 HydrophobicContact CE2-CE2 3.83Å; Y399-Y403 HydrophobicContact CG-CE2 4.33Å; Y399-Y403 AromaticContact CZ-CE2 3.57Å; Y399-Y403 VanDerWaalsContact O-CD2 3.29Å; Y399-Y403 WeakPolarHBondContact O-CD2 3.43Å; L400-Y403 CarbonylContact O-C 3.56Å; L400-Y403 PolarHBondContact O-N 3.36Å; K401-Y403 VanDerWaalsContact C-N 3.27Å; Y403-S405 PolarHBondContact O-N 2.91Å; Y403-Y406 HydrophobicContact CG-CD2 4.43Å; Y403-Y406 PolarHBondContact O-N 3.26Å
404	P	88.7	Confident	90.6	Very high	125 Å²	125	52.2 Å²	52.2	81%	0.812	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-2.5	-178.5	28.1	-36.6	0	0	0	114.6	V402 Y406	V402-P404 WeakPolarHBondContact O-CD 3.47Å; P404-Y406 VanDerWaalsContact C-N 3.27Å
405	S	92.4	Very high	91.2	Very high	72 Å²	72	51.2 Å²	51.2	50%	0.503	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.2	167.2	51.7	0	0	0	0	113.9	Y403	Y403-S405 PolarHBondContact O-N 2.91Å
406	Y	95.4	Very high	90.6	Very high	39 Å²	39	45.5 Å²	45.5	15%	0.153	25%	0.245	C	C	.	.			trans	-114.6	141.3	-178.9	-56.9	-68.2	0	0	0	111.5	K329 L331 T385 F386 Y403 P404	K329-Y406 WeakPolarHBondContact O-CA 3.38Å; K329-Y406 WeakPolarHBondContact O-CB 3.41Å; L331-Y406 HydrophobicContact CB-CD1 4.1Å; L331-Y406 HydrophobicContact CB-CD2 3.87Å; L331-Y406 HydrophobicContact CB-CE2 4.44Å; L331-Y406 HydrophobicContact CB-CG 3.7Å; L331-Y406 HydrophobicContact CD1-CD2 3.98Å; L331-Y406 HydrophobicContact CD1-CE2 3.81Å; L331-Y406 HydrophobicContact CD2-CD2 4.25Å; L331-Y406 HydrophobicContact CG-CD2 4.25Å; T385-Y406 PolarHBondContact O-OH 2.81Å; F386-Y406 WeakPolarHBondContact CA-OH 3.3Å; F386-Y406 HydrophobicContact CB-CE1 3.91Å; Y403-Y406 HydrophobicContact CG-CD2 4.43Å; Y403-Y406 PolarHBondContact O-N 3.26Å; P404-Y406 VanDerWaalsContact C-N 3.27Å
407	E	95.1	Very high	89.5	Confident	114 Å²	114	46.5 Å²	46.5	53%	0.533	25%	0.247	S	C	.	.	S	Bend	trans	-104	-18.6	-178.2	-73.3	164.4	178.1	0	0	112.3	K329	K329-E407 HydrophobicContact CB-CB 4.3Å; K329-E407 HydrophobicContact CB-CG 4.3Å; K329-E407 HydrophobicContact CD-CG 4.08Å; K329-E407 WeakPolarHBondContact CD-OE1 3.3Å; K329-E407 WeakPolarHBondContact CE-OE1 3.05Å; K329-E407 IonicContact NZ-OE1 2.72Å; K329-E407 PolarHBondContact NZ-OE1 2.74Å; K329-E407 PolarHBondContact O-N 2.77Å
408	H	96.6	Very high	88.1	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.2	-179.4	-164.6	99.9	0	0	0	110.1	H327 L330 L331 T433 N434 A435 T437	H327-H408 HydrophobicContact CB-CB 4.02Å; H327-H408 AromaticContact CE1-CE1 3.88Å; H327-H408 AromaticContact CE1-CG 3.93Å; H327-H408 AromaticContact CE1-ND1 3.49Å; H327-H408 PolarHBondContact CE1-ND1 2.93Å; H327-H408 AromaticContact CG-CG 3.88Å; H327-H408 AromaticContact ND1-CG 3.84Å; H327-H408 AromaticContact ND1-ND1 3.79Å; H327-H408 AromaticContact NE2-CE1 3.76Å; H327-H408 AromaticContact NE2-ND1 3.76Å; L330-H408 HydrophobicContact CD1-CB 4.18Å; L331-H408 PolarHBondContact N-O 3.46Å; H408-T433 PolarHBondContact CE1-O 2.87Å; H408-T433 VanDerWaalsContact CE1-O 3.27Å; H408-N434 PolarHBondContact ND1-O 2.91Å; H408-A435 CarbonylContact C-O 3.46Å; H408-A435 WeakPolarHBondContact CA-O 3.46Å; H408-T437 PolarHBondContact NE2-N 3.26Å; H408-T437 PolarHBondContact NE2-OG1 3.18Å
409	V	96	Very high	86.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.9	172.8	60.6	0	0	0	0	111.9	L331 V333 L396 L400 A435 V436 T437	L331-V409 HydrophobicContact CB-CB 4.26Å; L331-V409 HydrophobicContact CB-CG2 4.19Å; L331-V409 HydrophobicContact CD2-CB 4.47Å; L331-V409 HydrophobicContact CD2-CG2 4.09Å; L331-V409 HydrophobicContact CG-CG2 4.1Å; L331-V409 CarbonylContact O-C 3.56Å; L331-V409 VanDerWaalsContact O-CA 3.32Å; L331-V409 WeakPolarHBondContact O-CA 3.46Å; V333-V409 HydrophobicContact CB-CG2 4.24Å; V333-V409 HydrophobicContact CG2-CG2 3.62Å; L396-V409 HydrophobicContact CB-CG1 3.89Å; L396-V409 HydrophobicContact CD2-CG2 4.22Å; L400-V409 HydrophobicContact CB-CB 4.46Å; L400-V409 HydrophobicContact CB-CG1 4.11Å; L400-V409 HydrophobicContact CD1-CB 4.34Å; L400-V409 HydrophobicContact CD2-CB 4.44Å; L400-V409 HydrophobicContact CD2-CG1 4.1Å; V409-A435 PolarHBondContact N-O 3.13Å; V409-V436 HydrophobicContact CG1-CB 4.35Å; V409-V436 HydrophobicContact CG1-CG1 4.27Å; V409-V436 HydrophobicContact CG1-CG2 3.9Å; V409-V436 WeakPolarHBondContact O-CA 3.36Å; V409-T437 PolarHBondContact O-N 2.87Å
410	L	96.3	Very high	84.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	101.3	165.7	173.4	57.1	0	0	0	108.5	F319 I320 L330 L331 I332 V333 I412 T437 L439	F319-L410 HydrophobicContact CD1-CD2 4.27Å; F319-L410 HydrophobicContact CE1-CD1 3.95Å; F319-L410 HydrophobicContact CE1-CD2 4.25Å; I320-L410 HydrophobicContact CG1-CD2 3.76Å; L330-L410 HydrophobicContact CD1-CB 3.9Å; L330-L410 HydrophobicContact CD2-CB 4.19Å; L330-L410 HydrophobicContact CD2-CD2 4.39Å; L330-L410 HydrophobicContact CG-CB 4.33Å; L331-L410 PolarHBondContact O-N 3.08Å; I332-L410 WeakPolarHBondContact CA-O 3.41Å; V333-L410 PolarHBondContact N-O 3.14Å; L410-I412 HydrophobicContact CD1-CG1 4.38Å; L410-I412 HydrophobicContact CD2-CD1 4.36Å; L410-I412 HydrophobicContact CD2-CG1 4.43Å; L410-I412 HydrophobicContact CG-CD1 4.39Å; L410-I412 HydrophobicContact CG-CG1 3.96Å; L410-T437 CarbonylContact C-O 3.56Å; L410-T437 WeakPolarHBondContact CA-O 3.33Å; L410-T437 HydrophobicContact CD1-CG2 3.78Å; L410-L439 HydrophobicContact CD1-CB 3.95Å
411	G	94.9	Very high	82	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.6	165	0	0	0	0	0	110.4	V333 T437 L439	V333-G411 CarbonylContact O-C 3.56Å; V333-G411 WeakPolarHBondContact O-CA 3.44Å; G411-T437 PolarHBondContact N-O 3.29Å; G411-L439 PolarHBondContact O-N 2.94Å
412	I	94.2	Very high	79.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	175.5	-57.1	-176.9	0	0	0	107.9	I320 I332 V333 I334 G335 I348 L410 P414 V441	I320-I412 HydrophobicContact CD1-CD1 3.8Å; I320-I412 HydrophobicContact CG1-CD1 4.16Å; I332-I412 HydrophobicContact CG2-CD1 3.8Å; I332-I412 HydrophobicContact CG2-CG1 4.37Å; V333-I412 PolarHBondContact O-N 3.44Å; I334-I412 HydrophobicContact CD1-CD1 4.22Å; I334-I412 HydrophobicContact CG1-CB 4.18Å; I334-I412 HydrophobicContact CG1-CD1 4.25Å; I334-I412 HydrophobicContact CG2-CB 4.49Å; G335-I412 PolarHBondContact N-O 2.62Å; I348-I412 HydrophobicContact CD1-CD1 4.1Å; L410-I412 HydrophobicContact CD1-CG1 4.38Å; L410-I412 HydrophobicContact CD2-CD1 4.36Å; L410-I412 HydrophobicContact CD2-CG1 4.43Å; L410-I412 HydrophobicContact CG-CD1 4.39Å; L410-I412 HydrophobicContact CG-CG1 3.96Å; I412-P414 HydrophobicContact CG2-CG 4.24Å; I412-P414 WeakPolarHBondContact O-CD 3.48Å; I412-V441 HydrophobicContact CG2-CB 4.38Å; I412-V441 HydrophobicContact CG2-CG2 3.64Å
413	L	90.5	Very high	77.8	Confident	30 Å²	30	48.4 Å²	48.4	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	92.7	172.7	-65.1	-179.6	0	0	0	109.5	M392 T415 L438 L439 V441	M392-L413 HydrophobicContact CB-CD2 4.46Å; M392-L413 HydrophobicContact CE-CD2 4.26Å; L413-T415 HydrophobicContact CB-CG2 4.18Å; L413-T415 PolarHBondContact O-N 3.05Å; L413-L438 HydrophobicContact CD1-CD1 3.85Å; L413-L438 HydrophobicContact CD1-CD2 4.34Å; L413-L438 HydrophobicContact CD1-CG 4.29Å; L413-L438 HydrophobicContact CG-CD1 3.92Å; L413-L439 PolarHBondContact N-O 3.48Å; L413-V441 PolarHBondContact O-N 3.41Å
414	P	89.6	Confident	76	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.4	169.3	-7.4	25.6	0	0	0	108.5	I334 G335 K341 M344 I412 V441 Y443	I334-P414 HydrophobicContact CG2-CG 3.77Å; G335-P414 VanDerWaalsContact O-CD 3.24Å; G335-P414 WeakPolarHBondContact O-CD 3.44Å; K341-P414 HydrophobicContact CB-CB 4.39Å; K341-P414 HydrophobicContact CB-CG 4.44Å; K341-P414 HydrophobicContact CD-CB 3.82Å; K341-P414 WeakPolarHBondContact CE-O 3.4Å; K341-P414 HydrophobicContact CG-CB 4.05Å; K341-P414 HydrophobicContact CG-CG 4.44Å; M344-P414 HydrophobicContact CG-CG 4.1Å; I412-P414 HydrophobicContact CG2-CG 4.24Å; I412-P414 WeakPolarHBondContact O-CD 3.48Å; P414-V441 WeakPolarHBondContact CA-O 3.48Å; P414-Y443 HydrophobicContact CB-CD1 4.46Å; P414-Y443 HydrophobicContact CB-CG 4.38Å
415	T	79.6	Confident	74.8	Confident	26 Å²	26	55.9 Å²	55.9	16%	0.16	30%	0.3	C	S	.	.			trans	-137.4	177.9	-177.2	67.8	0	0	0	0	110.5	M392 L413 Q418 V441 P442 Y443 S444	M392-T415 HydrophobicContact CE-CG2 3.84Å; L413-T415 HydrophobicContact CB-CG2 4.18Å; L413-T415 PolarHBondContact O-N 3.05Å; T415-Q418 WeakPolarHBondContact OG1-CG 3.4Å; T415-Q418 PolarHBondContact OG1-NE2 2.82Å; T415-Q418 PolarHBondContact OG1-OE1 2.79Å; T415-V441 PolarHBondContact N-O 3.12Å; T415-P442 CarbonylContact O-C 3.53Å; T415-P442 VanDerWaalsContact O-C 3.29Å; T415-Y443 CarbonylContact C-O 3.58Å; T415-Y443 CarbonylContact O-C 3.55Å; T415-Y443 WeakPolarHBondContact O-CA 3.47Å; T415-Y443 PolarHBondContact O-N 3.08Å; T415-S444 PolarHBondContact O-N 3.42Å
416	G	71.4	Confident	73.7	Confident	14 Å²	14	55.3 Å²	55.3	14%	0.144	29%	0.291	C	S	.	.	S	Bend	trans	-72.3	-139.2	172.5	0	0	0	0	0	113.3	Q418	G416-Q418 PolarHBondContact O-N 2.97Å
417	W	66.5	Low	72.9	Confident	42 Å²	42	54.2 Å²	54.2	16%	0.159	29%	0.288	C	S	.	.			trans	-70.2	122.5	179.8	-175.1	92.2	0	0	0	112	Y299 E303 Y304 F306 I419	Y299-W417 HydrophobicContact CE1-CB 4.41Å; E303-W417 HydrophobicContact CB-CH2 4.38Å; E303-W417 HydrophobicContact CB-CZ2 4.09Å; E303-W417 VanDerWaalsContact O-CE2 3.25Å; E303-W417 WeakPolarHBondContact O-CZ2 3.34Å; E303-W417 PolarHBondContact O-NE1 2.81Å; Y304-W417 HydrophobicContact CD1-CB 3.94Å; Y304-W417 AromaticContact CD1-CD2 3.54Å; Y304-W417 HydrophobicContact CD1-CD2 3.54Å; Y304-W417 AromaticContact CD1-CE2 3.94Å; Y304-W417 AromaticContact CD1-CE3 3.76Å; Y304-W417 HydrophobicContact CD1-CE3 3.76Å; Y304-W417 AromaticContact CD1-CG 3.69Å; Y304-W417 HydrophobicContact CD1-CG 3.69Å; Y304-W417 HydrophobicContact CD1-CZ2 4.42Å; Y304-W417 HydrophobicContact CD1-CZ3 4.29Å; Y304-W417 AromaticContact CE1-CD2 3.93Å; Y304-W417 HydrophobicContact CE1-CD2 3.93Å; Y304-W417 AromaticContact CE1-CE3 3.62Å; Y304-W417 HydrophobicContact CE1-CE3 3.62Å; Y304-W417 HydrophobicContact CE1-CG 4.41Å; Y304-W417 HydrophobicContact CE1-CH2 4.42Å; Y304-W417 AromaticContact CE1-CZ3 3.9Å; Y304-W417 HydrophobicContact CE1-CZ3 3.9Å; F306-W417 HydrophobicContact CD1-CB 4Å; F306-W417 HydrophobicContact CD1-CG 4.48Å; F306-W417 HydrophobicContact CE1-CB 4.39Å; W417-I419 WeakPolarHBondContact CZ2-O 3.39Å
418	Q	58.6	Low	72.2	Confident	54 Å²	54	53.3 Å²	53.3	25%	0.252	28%	0.284	S	S	.	.			trans	-122.3	4.3	174.8	-60.5	-167.8	-66.9	0	0	113.1	T415 G416 G420 F430	T415-Q418 WeakPolarHBondContact OG1-CG 3.4Å; T415-Q418 PolarHBondContact OG1-NE2 2.82Å; T415-Q418 PolarHBondContact OG1-OE1 2.79Å; G416-Q418 PolarHBondContact O-N 2.97Å; Q418-G420 PolarHBondContact O-N 2.64Å; Q418-F430 HydrophobicContact CB-CZ 4.42Å; Q418-F430 VanDerWaalsContact OE1-CZ 3.27Å
419	I	53.4	Low	71.7	Confident	53 Å²	53	55.2 Å²	55.2	27%	0.272	30%	0.297	S	S	.	.			trans	-88.4	79.6	-168.6	-50.8	176.3	0	0	0	109.9	W417 S421 L426	W417-I419 WeakPolarHBondContact CZ2-O 3.39Å; I419-S421 PolarHBondContact O-N 2.96Å; I419-L426 HydrophobicContact CD1-CD2 3.71Å
420	G	49.9	Very low	71.1	Confident	49 Å²	49	59.5 Å²	59.5	51%	0.505	32%	0.316	S	S	.	.			trans	-49.9	128.5	163.7	0	0	0	0	0	109.9	Q418 V422	Q418-G420 PolarHBondContact O-N 2.64Å; G420-V422 PolarHBondContact O-N 3.46Å
421	S	39.6	Very low	70.6	Confident	94 Å²	94	62.3 Å²	62.3	66%	0.657	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	38.6	-148.7	41.7	0	0	0	0	117.4	I419	I419-S421 PolarHBondContact O-N 2.96Å
422	V	44.7	Very low	70.4	Confident	118 Å²	118	68.1 Å²	68.1	72%	0.715	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	-27.7	-167.9	-165.4	0	0	0	0	115.4	G420	G420-V422 PolarHBondContact O-N 3.46Å
423	K	50.5	Low	70.3	Confident	157 Å²	157	71.2 Å²	71.2	68%	0.683	37%	0.374	S	S	*	.			trans	-155.3	153.9	-166.8	-61.6	177.1	-169	165.5	0	113.8
424	R	51.7	Low	70.3	Confident	236 Å²	236	77.4 Å²	77.4	89%	0.891	41%	0.407	S	S	*	.			cis	-150.1	-17.3	-41.7	-141.3	177.9	-165.3	179.4	4.5	112.2	E428	R424-E428 WeakPolarHBondContact CA-OE1 3.2Å; R424-E428 PolarHBondContact N-OE1 2.84Å
425	S	63.5	Low	70.4	Confident	71 Å²	71	79 Å²	79	50%	0.497	42%	0.42	S	S	.	.			trans	-119.5	153.6	159.5	165.2	0	0	0	0	109.7	L427 E428	S425-L427 PolarHBondContact O-N 2.83Å; S425-L427 PolarHBondContact OG-N 2.88Å; S425-L427 VanDerWaalsContact OG-N 3.14Å; S425-L427 PolarHBondContact OG-O 2.93Å; S425-E428 PolarHBondContact N-OE1 3.32Å
426	L	69.5	Low	71.1	Confident	60 Å²	60	77.8 Å²	77.8	31%	0.314	41%	0.413	S	S	.	.	S	Bend	trans	-67.4	-19.7	172.9	-80.3	165.6	0	0	0	113.1	P307 Q315 I419 P442	P307-L426 HydrophobicContact CG-CD1 4.07Å; P307-L426 HydrophobicContact CG-CD2 3.87Å; Q315-L426 VanDerWaalsContact OE1-CD1 3.27Å; I419-L426 HydrophobicContact CD1-CD2 3.71Å; L426-P442 HydrophobicContact CD2-CG 4.47Å
427	L	78.8	Confident	72.2	Confident	17 Å²	17	77.1 Å²	77.1	9%	0.089	41%	0.406	C	S	.	.			trans	-131.6	106.4	177.9	-67.4	-177.1	0	0	0	108.4	Q315 F319 S425 L439 G440 V441	Q315-L427 VanDerWaalsContact C-CD1 3.42Å; Q315-L427 HydrophobicContact CB-CD1 3.68Å; Q315-L427 HydrophobicContact CB-CG 4.45Å; Q315-L427 WeakPolarHBondContact O-CD1 3.48Å; F319-L427 HydrophobicContact CB-CD1 4.19Å; S425-L427 PolarHBondContact O-N 2.83Å; S425-L427 PolarHBondContact OG-N 2.88Å; S425-L427 VanDerWaalsContact OG-N 3.14Å; S425-L427 PolarHBondContact OG-O 2.93Å; L427-L439 HydrophobicContact CB-CD1 4.11Å; L427-L439 HydrophobicContact CD2-CD1 4.27Å; L427-L439 HydrophobicContact CD2-CD2 4.29Å; L427-L439 HydrophobicContact CD2-CG 4.37Å; L427-G440 WeakPolarHBondContact CD2-O 3.4Å; L427-V441 HydrophobicContact CD2-CB 4.31Å; L427-V441 HydrophobicContact CD2-CG1 4.34Å; L427-V441 HydrophobicContact CD2-CG2 3.87Å
428	E	79.9	Confident	73.4	Confident	94 Å²	94	76.3 Å²	76.3	44%	0.439	41%	0.405	S	S	.	.			trans	-130.1	133.7	169.1	-65	-175.3	-155.5	0	0	107.5	R424 S425	R424-E428 WeakPolarHBondContact CA-OE1 3.2Å; R424-E428 PolarHBondContact N-OE1 2.84Å; S425-E428 PolarHBondContact N-OE1 3.32Å
429	P	86.8	Confident	75	Confident	42 Å²	42	73.7 Å²	73.7	27%	0.273	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.8	175.2	-24.2	35.4	0	0	0	112.7	F319 E432 T437 L438	F319-P429 HydrophobicContact CE2-CG 4.42Å; F319-P429 HydrophobicContact CZ-CG 4.02Å; P429-E432 HydrophobicContact CB-CB 4.31Å; P429-T437 HydrophobicContact CB-CG2 3.98Å; P429-T437 HydrophobicContact CG-CG2 3.92Å; P429-L438 CarbonylContact C-O 3.48Å; P429-L438 VanDerWaalsContact CA-O 3.27Å; P429-L438 WeakPolarHBondContact CA-O 3.5Å
430	F	84.3	Confident	76.7	Confident	91 Å²	91	71.4 Å²	71.4	40%	0.399	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-28.4	168.2	-61.8	-39	0	0	0	112.4	Q418 L438	Q418-F430 HydrophobicContact CB-CZ 4.42Å; Q418-F430 VanDerWaalsContact OE1-CZ 3.27Å; F430-L438 HydrophobicContact CB-CD2 4.21Å; F430-L438 HydrophobicContact CB-CG 4.4Å; F430-L438 HydrophobicContact CD2-CG 4.48Å; F430-L438 PolarHBondContact N-O 2.63Å
431	E	85.6	Confident	78.6	Confident	59 Å²	59	69.1 Å²	69.1	28%	0.276	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	134.9	175.9	-167	-170.7	137.2	0	0	108	I58 T433 T437 L438	I58-E431 HydrophobicContact CD1-CB 4.31Å; I58-E431 HydrophobicContact CD1-CG 4.47Å; E431-T433 HydrophobicContact CG-CG2 4.16Å; E431-T437 CarbonylContact O-C 3.59Å; E431-T437 WeakPolarHBondContact O-CA 3.15Å; E431-L438 HydrophobicContact CB-CB 3.78Å; E431-L438 PolarHBondContact O-N 3.26Å
432	E	90.6	Very high	81	Confident	124 Å²	124	64.9 Å²	64.9	58%	0.579	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	115.3	170.8	-173.1	163	-164.4	0	0	109.1	K323 P429 V436	K323-E432 IonicContact NZ-OE1 3.56Å; K323-E432 PolarHBondContact NZ-OE1 2.84Å; P429-E432 HydrophobicContact CB-CB 4.31Å; E432-V436 WeakPolarHBondContact CA-O 3.24Å
433	T	91.3	Very high	83.3	Confident	64 Å²	64	59.4 Å²	59.4	39%	0.393	30%	0.295	S	S	.	.			trans	-130.6	173.6	178.5	69.9	0	0	0	0	109.3	H408 E431 A435 V436	H408-T433 PolarHBondContact CE1-O 2.87Å; H408-T433 VanDerWaalsContact CE1-O 3.27Å; E431-T433 HydrophobicContact CG-CG2 4.16Å; T433-A435 PolarHBondContact O-N 2.81Å; T433-V436 PolarHBondContact N-O 2.86Å; T433-V436 PolarHBondContact OG1-N 2.82Å; T433-V436 VanDerWaalsContact OG1-N 3.07Å; T433-V436 PolarHBondContact OG1-O 2.9Å
434	N	89.8	Confident	85.3	Confident	161 Å²	161	52 Å²	52	86%	0.861	26%	0.263	S	S	*	.	S	Bend	trans	-56	-29	179.8	-63.7	-4.8	0	0	0	113.6	H408	H408-N434 PolarHBondContact ND1-O 2.91Å
435	A	93.4	Very high	87.4	Confident	33 Å²	33	41 Å²	41	27%	0.273	22%	0.222	S	C	.	.	S	Bend	trans	-118.3	-11.6	-174.3	0	0	0	0	0	114.7	L400 H408 V409 T433	L400-A435 HydrophobicContact CD2-CB 4.07Å; L400-A435 WeakPolarHBondContact CD2-O 3.48Å; H408-A435 CarbonylContact C-O 3.46Å; H408-A435 WeakPolarHBondContact CA-O 3.46Å; V409-A435 PolarHBondContact N-O 3.13Å; T433-A435 PolarHBondContact O-N 2.81Å
436	V	93.9	Very high	88.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.6	-176.5	-175.8	0	0	0	0	110.5	L396 T397 V409 E432 T433	L396-V436 HydrophobicContact CB-CG1 4.04Å; L396-V436 HydrophobicContact CD1-CG1 3.86Å; T397-V436 HydrophobicContact CG2-CG2 4.31Å; V409-V436 HydrophobicContact CG1-CB 4.35Å; V409-V436 HydrophobicContact CG1-CG1 4.27Å; V409-V436 HydrophobicContact CG1-CG2 3.9Å; V409-V436 WeakPolarHBondContact O-CA 3.36Å; E432-V436 WeakPolarHBondContact CA-O 3.24Å; T433-V436 PolarHBondContact N-O 2.86Å; T433-V436 PolarHBondContact OG1-N 2.82Å; T433-V436 VanDerWaalsContact OG1-N 3.07Å; T433-V436 PolarHBondContact OG1-O 2.9Å
437	T	94.5	Very high	90.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125	160.1	-56.6	0	0	0	0	107.8	F319 K323 H408 V409 L410 G411 P429 E431	F319-T437 HydrophobicContact CE1-CG2 4.36Å; F319-T437 HydrophobicContact CZ-CG2 4.22Å; K323-T437 PolarHBondContact NZ-OG1 3.09Å; H408-T437 PolarHBondContact NE2-N 3.26Å; H408-T437 PolarHBondContact NE2-OG1 3.18Å; V409-T437 PolarHBondContact O-N 2.87Å; L410-T437 CarbonylContact C-O 3.56Å; L410-T437 WeakPolarHBondContact CA-O 3.33Å; L410-T437 HydrophobicContact CD1-CG2 3.78Å; G411-T437 PolarHBondContact N-O 3.29Å; P429-T437 HydrophobicContact CB-CG2 3.98Å; P429-T437 HydrophobicContact CG-CG2 3.92Å; E431-T437 CarbonylContact O-C 3.59Å; E431-T437 WeakPolarHBondContact O-CA 3.15Å
438	L	91.9	Very high	91.1	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.126	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.2	172.3	-177	66	0	0	0	109.4	L396 L413 P429 F430 E431	L396-L438 HydrophobicContact CD1-CD1 3.81Å; L413-L438 HydrophobicContact CD1-CD1 3.85Å; L413-L438 HydrophobicContact CD1-CD2 4.34Å; L413-L438 HydrophobicContact CD1-CG 4.29Å; L413-L438 HydrophobicContact CG-CD1 3.92Å; P429-L438 CarbonylContact C-O 3.48Å; P429-L438 VanDerWaalsContact CA-O 3.27Å; P429-L438 WeakPolarHBondContact CA-O 3.5Å; F430-L438 HydrophobicContact CB-CD2 4.21Å; F430-L438 HydrophobicContact CB-CG 4.4Å; F430-L438 HydrophobicContact CD2-CG 4.48Å; F430-L438 PolarHBondContact N-O 2.63Å; E431-L438 HydrophobicContact CB-CB 3.78Å; E431-L438 PolarHBondContact O-N 3.26Å
439	L	91.7	Very high	91.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.4	-177.4	-176.4	66.8	0	0	0	111.6	F319 L410 G411 L413 L427 V441	F319-L439 HydrophobicContact CD1-CD2 3.66Å; F319-L439 HydrophobicContact CE1-CD1 4.31Å; F319-L439 HydrophobicContact CE1-CD2 3.85Å; F319-L439 HydrophobicContact CE1-CG 4.49Å; F319-L439 HydrophobicContact CE2-CD1 4.27Å; F319-L439 HydrophobicContact CG-CD2 4.11Å; F319-L439 HydrophobicContact CZ-CD1 4.11Å; F319-L439 HydrophobicContact CZ-CD2 4.45Å; L410-L439 HydrophobicContact CD1-CB 3.95Å; G411-L439 PolarHBondContact O-N 2.94Å; L413-L439 PolarHBondContact N-O 3.48Å; L427-L439 HydrophobicContact CB-CD1 4.11Å; L427-L439 HydrophobicContact CD2-CD1 4.27Å; L427-L439 HydrophobicContact CD2-CD2 4.29Å; L427-L439 HydrophobicContact CD2-CG 4.37Å; L439-V441 HydrophobicContact CD2-CG2 3.78Å; L439-V441 HydrophobicContact CG-CG2 3.82Å
440	G	89.1	Confident	92.2	Very high	5 Å²	5	32.8 Å²	32.8	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.1	161.9	0	0	0	0	0	110.7	L427	L427-G440 WeakPolarHBondContact CD2-O 3.4Å
441	V	90.2	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	117.9	179.6	179.6	0	0	0	0	108.6	V312 M344 I412 L413 P414 T415 L427 L439 Y443	V312-V441 HydrophobicContact CG1-CG1 3.25Å; M344-V441 HydrophobicContact CE-CG1 3.77Å; I412-V441 HydrophobicContact CG2-CB 4.38Å; I412-V441 HydrophobicContact CG2-CG2 3.64Å; L413-V441 PolarHBondContact O-N 3.41Å; P414-V441 WeakPolarHBondContact CA-O 3.48Å; T415-V441 PolarHBondContact N-O 3.12Å; L427-V441 HydrophobicContact CD2-CB 4.31Å; L427-V441 HydrophobicContact CD2-CG1 4.34Å; L427-V441 HydrophobicContact CD2-CG2 3.87Å; L439-V441 HydrophobicContact CD2-CG2 3.78Å; L439-V441 HydrophobicContact CG-CG2 3.82Å; V441-Y443 PolarHBondContact O-N 3.44Å
442	P	90.4	Very high	93.4	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.039	14%	0.143	C	C	.	.			trans	-77.9	54.5	-173.9	32.5	-36.5	0	0	0	112.8	V312 T415 L426 S444	V312-P442 HydrophobicContact CG1-CG 4.49Å; V312-P442 HydrophobicContact CG2-CG 4.41Å; T415-P442 CarbonylContact O-C 3.53Å; T415-P442 VanDerWaalsContact O-C 3.29Å; L426-P442 HydrophobicContact CD2-CG 4.47Å; P442-S444 PolarHBondContact O-N 2.81Å; P442-S444 VanDerWaalsContact O-N 3.17Å
443	Y	91.9	Very high	93.8	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.012	13%	0.127	C	C	.	.			trans	-82.8	77.4	176.3	-168.9	-86.5	0	0	0	111.2	Q309 V312 I313 K341 R343 M344 P414 T415 V441 E445	Q309-Y443 HydrophobicContact CB-CD2 4.26Å; Q309-Y443 HydrophobicContact CB-CE2 3.75Å; Q309-Y443 HydrophobicContact CG-CD2 4.15Å; Q309-Y443 HydrophobicContact CG-CE2 3.77Å; Q309-Y443 PolarHBondContact OE1-OH 3.18Å; Q309-Y443 VanDerWaalsContact OE1-OH 3.07Å; V312-Y443 HydrophobicContact CG1-CD2 4.38Å; I313-Y443 HydrophobicContact CD1-CE2 4.09Å; I313-Y443 HydrophobicContact CG1-CD2 4.41Å; I313-Y443 HydrophobicContact CG1-CE2 4.08Å; K341-Y443 HydrophobicContact CD-CD1 3.4Å; K341-Y443 VanDerWaalsContact CD-CD1 3.4Å; K341-Y443 HydrophobicContact CD-CE1 3.78Å; K341-Y443 HydrophobicContact CD-CG 4.49Å; K341-Y443 PolarHBondContact NZ-O 2.77Å; R343-Y443 VanDerWaalsContact CB-OH 3.23Å; R343-Y443 WeakPolarHBondContact CB-OH 3.46Å; R343-Y443 VanDerWaalsContact CD-OH 3.25Å; R343-Y443 WeakPolarHBondContact CD-OH 3.33Å; R343-Y443 HydrophobicContact CG-CE2 4.45Å; R343-Y443 WeakPolarHBondContact CG-OH 3.4Å; M344-Y443 HydrophobicContact CB-CD2 4.44Å; M344-Y443 HydrophobicContact CB-CE2 4.34Å; M344-Y443 HydrophobicContact CE-CD2 3.48Å; M344-Y443 VanDerWaalsContact CE-CD2 3.48Å; M344-Y443 HydrophobicContact CE-CE2 4.15Å; M344-Y443 HydrophobicContact CE-CG 4.1Å; P414-Y443 HydrophobicContact CB-CD1 4.46Å; P414-Y443 HydrophobicContact CB-CG 4.38Å; T415-Y443 CarbonylContact C-O 3.58Å; T415-Y443 CarbonylContact O-C 3.55Å; T415-Y443 WeakPolarHBondContact O-CA 3.47Å; T415-Y443 PolarHBondContact O-N 3.08Å; V441-Y443 PolarHBondContact O-N 3.44Å; Y443-E445 HydrophobicContact CD1-CG 4.25Å; Y443-E445 HydrophobicContact CE1-CG 3.75Å
444	S	93.6	Very high	94	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.131	C	C	.	.			trans	-70.9	141.5	171.2	-171.5	0	0	0	0	111.8	R274 Y299 F306 Q309 T415 P442 H446	R274-S444 WeakPolarHBondContact CD-O 3.19Å; R274-S444 PolarHBondContact NH1-O 2.73Å; Y299-S444 WeakPolarHBondContact CE2-OG 3.5Å; F306-S444 VanDerWaalsContact CZ-CB 3.46Å; F306-S444 VanDerWaalsContact CZ-OG 3.3Å; F306-S444 WeakPolarHBondContact CZ-OG 3.38Å; Q309-S444 PolarHBondContact NE2-O 2.87Å; T415-S444 PolarHBondContact O-N 3.42Å; P442-S444 PolarHBondContact O-N 2.81Å; P442-S444 VanDerWaalsContact O-N 3.17Å; S444-H446 PolarHBondContact OG-N 3.09Å; S444-H446 PolarHBondContact OG-O 2.75Å
445	E	94.5	Very high	94.5	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	9%	0.09	C	C	.	.	S	Bend	trans	-109.1	5.6	166.9	-71.7	166.7	144.9	0	0	111.7	H250 Y337 G340 K341 Y443	H250-E445 WeakPolarHBondContact CA-O 3.4Å; H250-E445 PolarHBondContact ND1-O 3.11Å; H250-E445 WeakPolarHBondContact O-CG 3.34Å; Y337-E445 PolarHBondContact OH-OE2 3.04Å; G340-E445 WeakPolarHBondContact CA-OE1 3.34Å; K341-E445 WeakPolarHBondContact CD-OE2 3.46Å; K341-E445 WeakPolarHBondContact CE-OE2 3.34Å; K341-E445 PolarHBondContact N-OE1 3.02Å; K341-E445 IonicContact NZ-OE2 2.7Å; K341-E445 PolarHBondContact NZ-OE2 2.87Å; Y443-E445 HydrophobicContact CD1-CG 4.25Å; Y443-E445 HydrophobicContact CE1-CG 3.75Å
446	H	96.1	Very high	94.7	Very high	34 Å²	34	16.9 Å²	16.9	16%	0.157	8%	0.078	C	C	.	.	S	Bend	trans	-110.2	155.9	166.6	-53.3	-98	0	0	0	109.8	H250 D272 F273 D296 Y299 F306 S444	H250-H446 AromaticContact CE1-CE1 3.61Å; H250-H446 AromaticContact CE1-NE2 3.65Å; D272-H446 IonicContact OD2-CE1 3.2Å; D272-H446 PolarHBondContact OD2-CE1 3.23Å; D272-H446 VanDerWaalsContact OD2-CE1 3.24Å; D272-H446 IonicContact OD2-ND1 2.72Å; F273-H446 CarbonylContact O-C 3.08Å; F273-H446 WeakPolarHBondContact O-CA 3.08Å; D296-H446 IonicContact OD1-ND1 2.81Å; D296-H446 IonicContact OD2-CE1 3.56Å; D296-H446 IonicContact OD2-CG 2.71Å; D296-H446 IonicContact OD2-ND1 3.13Å; D296-H446 PolarHBondContact OD2-ND1 3.38Å; Y299-H446 HydrophobicContact CD2-CB 3.83Å; Y299-H446 HydrophobicContact CE2-CB 3.93Å; F306-H446 WeakPolarHBondContact CE2-O 3.37Å; F306-H446 VanDerWaalsContact CZ-O 3.29Å; F306-H446 WeakPolarHBondContact CZ-O 3.32Å; S444-H446 PolarHBondContact OG-N 3.09Å; S444-H446 PolarHBondContact OG-O 2.75Å
447	S	97.3	Very high	94.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	9%	0.086	C	C	.	.			trans	-59.4	136.7	177.7	-58.2	0	0	0	0	113.2	F273 R274 A275 E451 L452	F273-S447 WeakPolarHBondContact CE1-OG 3.44Å; F273-S447 PolarHBondContact O-N 2.8Å; F273-S447 PolarHBondContact O-OG 3.33Å; R274-S447 WeakPolarHBondContact CA-OG 3.44Å; A275-S447 WeakPolarHBondContact CB-OG 3.44Å; A275-S447 PolarHBondContact N-OG 3.13Å; S447-E451 VanDerWaalsContact CA-OE2 3.32Å; S447-E451 WeakPolarHBondContact CA-OE2 3.49Å; S447-L452 VanDerWaalsContact CB-CD2 3.47Å
448	S	95.5	Very high	94.9	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	11%	0.105	C	C	.	.			trans	-67.3	164.2	165.5	107.1	0	0	0	0	111.2	D305 F306 V450 E451 L452	D305-S448 WeakPolarHBondContact OD1-CB 3.44Å; D305-S448 PolarHBondContact OD1-OG 2.91Å; F306-S448 VanDerWaalsContact CE2-CB 3.49Å; F306-S448 VanDerWaalsContact CZ-N 3.31Å; S448-V450 PolarHBondContact O-N 3.32Å; S448-V450 PolarHBondContact OG-N 2.87Å; S448-V450 VanDerWaalsContact OG-N 3.09Å; S448-E451 PolarHBondContact N-OE2 2.82Å; S448-E451 PolarHBondContact O-N 3Å; S448-E451 VanDerWaalsContact O-N 3.13Å; S448-E451 PolarHBondContact OG-N 3.43Å; S448-L452 WeakPolarHBondContact O-CB 3.49Å; S448-L452 WeakPolarHBondContact O-CG 3.48Å; S448-L452 PolarHBondContact O-N 3.1Å
449	Y	95.5	Very high	95.2	Very high	27 Å²	27	21.7 Å²	21.7	11%	0.106	10%	0.102	C	C	.	.	H	α-helix	trans	-55.7	-35	174.2	178	-93.3	0	0	0	112.8	N301 P302 Y304 K453 T482 W486	N301-Y449 WeakPolarHBondContact O-CB 3.39Å; P302-Y449 HydrophobicContact CB-CD1 4.41Å; P302-Y449 HydrophobicContact CB-CE1 4.33Å; P302-Y449 HydrophobicContact CG-CD1 4.39Å; P302-Y449 HydrophobicContact CG-CD2 4.3Å; P302-Y449 HydrophobicContact CG-CE1 3.95Å; P302-Y449 HydrophobicContact CG-CE2 3.82Å; Y304-Y449 PolarHBondContact O-N 2.93Å; Y449-K453 PolarHBondContact O-N 3.16Å; Y449-T482 HydrophobicContact CE2-CG2 3.79Å; Y449-W486 HydrophobicContact CD2-CH2 4.5Å; Y449-W486 AromaticContact CD2-CZ2 3.81Å; Y449-W486 HydrophobicContact CD2-CZ2 3.81Å; Y449-W486 HydrophobicContact CE1-CZ2 4.36Å; Y449-W486 HydrophobicContact CE2-CH2 4.42Å; Y449-W486 AromaticContact CE2-CZ2 3.47Å; Y449-W486 HydrophobicContact CE2-CZ2 3.47Å; Y449-W486 VanDerWaalsContact CE2-CZ2 3.47Å; Y449-W486 HydrophobicContact CG-CZ2 4.41Å; Y449-W486 AromaticContact CZ-CZ2 3.75Å; Y449-W486 AromaticContact CZ-NE1 3.69Å; Y449-W486 PolarHBondContact OH-NE1 2.93Å
450	V	95.4	Very high	95.4	Very high	48 Å²	48	28.9 Å²	28.9	29%	0.291	13%	0.129	S	C	.	.	H	α-helix	trans	-76.6	-37.3	177.9	-178.4	0	0	0	0	111.3	D305 S448 K453 R454	D305-V450 HydrophobicContact CB-CG2 4.49Å; S448-V450 PolarHBondContact O-N 3.32Å; S448-V450 PolarHBondContact OG-N 2.87Å; S448-V450 VanDerWaalsContact OG-N 3.09Å; V450-K453 PolarHBondContact O-N 2.86Å; V450-R454 WeakPolarHBondContact O-CG 3.48Å; V450-R454 PolarHBondContact O-N 2.94Å; V450-R454 VanDerWaalsContact O-N 3.09Å
451	E	97.4	Very high	95.8	Very high	13 Å²	13	28.9 Å²	28.9	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-45.5	173.4	-64.4	175.6	165.3	0	0	110.9	R274 A275 S447 S448 R454 F455	R274-E451 WeakPolarHBondContact CG-OE2 3.3Å; R274-E451 IonicContact CZ-OE1 3.92Å; R274-E451 IonicContact CZ-OE2 3.93Å; R274-E451 IonicContact NE-OE1 3.24Å; R274-E451 PolarHBondContact NE-OE1 2.89Å; R274-E451 IonicContact NE-OE2 3.4Å; R274-E451 PolarHBondContact NE-OE2 2.97Å; R274-E451 IonicContact NH2-OE1 2.73Å; R274-E451 PolarHBondContact NH2-OE1 3.44Å; R274-E451 IonicContact NH2-OE2 3.14Å; A275-E451 HydrophobicContact CB-CB 4.16Å; S447-E451 VanDerWaalsContact CA-OE2 3.32Å; S447-E451 WeakPolarHBondContact CA-OE2 3.49Å; S448-E451 PolarHBondContact N-OE2 2.82Å; S448-E451 PolarHBondContact O-N 3Å; S448-E451 VanDerWaalsContact O-N 3.13Å; S448-E451 PolarHBondContact OG-N 3.43Å; E451-R454 PolarHBondContact O-N 3.06Å; E451-F455 WeakPolarHBondContact O-CB 3.36Å; E451-F455 PolarHBondContact O-N 3.09Å
452	L	97.8	Very high	96	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-46.7	174	-72.9	176.2	0	0	0	112.4	F273 L295 D296 C300 S447 S448 R454 F455 V456 W486	F273-L452 HydrophobicContact CE1-CD2 3.73Å; F273-L452 HydrophobicContact CZ-CD2 3.98Å; L295-L452 HydrophobicContact CD1-CD2 4.22Å; D296-L452 WeakPolarHBondContact O-CD2 3.22Å; C300-L452 HydrophobicContact CB-CD1 4.19Å; S447-L452 VanDerWaalsContact CB-CD2 3.47Å; S448-L452 WeakPolarHBondContact O-CB 3.49Å; S448-L452 WeakPolarHBondContact O-CG 3.48Å; S448-L452 PolarHBondContact O-N 3.1Å; L452-R454 PolarHBondContact O-N 3.3Å; L452-F455 PolarHBondContact O-N 2.73Å; L452-V456 PolarHBondContact O-N 3Å; L452-W486 HydrophobicContact CB-CH2 3.55Å; L452-W486 HydrophobicContact CB-CZ2 4.46Å; L452-W486 HydrophobicContact CB-CZ3 3.98Å; L452-W486 HydrophobicContact CD1-CH2 4.46Å
453	K	97.8	Very high	96.3	Very high	56 Å²	56	41.1 Å²	41.1	24%	0.243	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-52.1	176.9	174.8	172.1	170	171.3	0	110.8	Y449 V450 F455 V456 Q457 W486 E489	Y449-K453 PolarHBondContact O-N 3.16Å; V450-K453 PolarHBondContact O-N 2.86Å; K453-F455 VanDerWaalsContact C-N 3.3Å; K453-F455 PolarHBondContact O-N 3.07Å; K453-V456 PolarHBondContact O-N 3.44Å; K453-Q457 VanDerWaalsContact CE-NE2 3.32Å; K453-Q457 HydrophobicContact CG-CG 4.33Å; K453-Q457 WeakPolarHBondContact O-CB 3.5Å; K453-Q457 VanDerWaalsContact O-CG 3.31Å; K453-Q457 WeakPolarHBondContact O-CG 3.39Å; K453-Q457 PolarHBondContact O-N 2.77Å; K453-W486 HydrophobicContact CB-CD2 3.98Å; K453-W486 HydrophobicContact CB-CG 4.26Å; K453-W486 HydrophobicContact CB-CZ2 3.91Å; K453-W486 HydrophobicContact CD-CG 4.39Å; K453-W486 HydrophobicContact CG-CD2 4.18Å; K453-W486 HydrophobicContact CG-CG 3.91Å; K453-E489 WeakPolarHBondContact CE-OE2 3.22Å; K453-E489 IonicContact NZ-OE2 3.8Å; K453-E489 PolarHBondContact NZ-OE2 2.93Å
454	R	97.4	Very high	96.6	Very high	123 Å²	123	42.1 Å²	42.1	46%	0.464	18%	0.183	S	C	.	.	H	α-helix	trans	-58.8	-42.5	-179.5	-72.4	172.3	-178.3	174.6	3.6	111.8	L280 V450 E451 L452 Q457 I458	L280-R454 HydrophobicContact CD1-CB 4Å; L280-R454 HydrophobicContact CD2-CB 4.22Å; V450-R454 WeakPolarHBondContact O-CG 3.48Å; V450-R454 PolarHBondContact O-N 2.94Å; V450-R454 VanDerWaalsContact O-N 3.09Å; E451-R454 PolarHBondContact O-N 3.06Å; L452-R454 PolarHBondContact O-N 3.3Å; R454-Q457 PolarHBondContact O-N 2.89Å; R454-I458 WeakPolarHBondContact O-CG1 3.48Å; R454-I458 PolarHBondContact O-N 2.92Å
455	F	98.2	Very high	96.8	Very high	1 Å²	1	43 Å²	43	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-49.4	177.1	-177.7	-109.5	0	0	0	112.5	M256 L268 T270 F273 A275 I279 L280 W285 L295 E451 L452 K453 Q457 I458 V459	M256-F455 HydrophobicContact SD-CZ 4.44Å; L268-F455 HydrophobicContact CD2-CE1 4.3Å; L268-F455 HydrophobicContact CD2-CZ 3.79Å; T270-F455 HydrophobicContact CG2-CE1 4.05Å; T270-F455 HydrophobicContact CG2-CZ 4.33Å; F273-F455 HydrophobicContact CD2-CZ 4.45Å; F273-F455 AromaticContact CE2-CD1 3.61Å; F273-F455 HydrophobicContact CE2-CD1 3.61Å; F273-F455 AromaticContact CE2-CD2 3.89Å; F273-F455 HydrophobicContact CE2-CD2 3.89Å; F273-F455 AromaticContact CE2-CE1 3.52Å; F273-F455 HydrophobicContact CE2-CE1 3.52Å; F273-F455 AromaticContact CE2-CE2 3.81Å; F273-F455 HydrophobicContact CE2-CE2 3.81Å; F273-F455 AromaticContact CE2-CG 3.77Å; F273-F455 HydrophobicContact CE2-CG 3.77Å; F273-F455 AromaticContact CE2-CZ 3.61Å; F273-F455 HydrophobicContact CE2-CZ 3.61Å; F273-F455 AromaticContact CZ-CD1 3.48Å; F273-F455 HydrophobicContact CZ-CD1 3.48Å; F273-F455 VanDerWaalsContact CZ-CD1 3.48Å; F273-F455 AromaticContact CZ-CE1 3.63Å; F273-F455 HydrophobicContact CZ-CE1 3.63Å; F273-F455 AromaticContact CZ-CG 3.94Å; F273-F455 HydrophobicContact CZ-CG 3.94Å; F273-F455 HydrophobicContact CZ-CZ 4.21Å; A275-F455 HydrophobicContact CB-CB 3.87Å; A275-F455 HydrophobicContact CB-CD2 4.37Å; A275-F455 HydrophobicContact CB-CG 4.26Å; I279-F455 HydrophobicContact CG2-CD2 4Å; I279-F455 HydrophobicContact CG2-CE2 3.81Å; L280-F455 HydrophobicContact CD2-CB 3.91Å; L280-F455 HydrophobicContact CD2-CD2 4.23Å; W285-F455 HydrophobicContact CH2-CE2 4.14Å; W285-F455 HydrophobicContact CH2-CZ 4.23Å; W285-F455 AromaticContact CZ2-CE2 3.69Å; W285-F455 HydrophobicContact CZ2-CE2 3.69Å; W285-F455 HydrophobicContact CZ2-CZ 4.24Å; L295-F455 HydrophobicContact CD1-CD1 4.14Å; L295-F455 HydrophobicContact CD1-CE1 4.14Å; E451-F455 WeakPolarHBondContact O-CB 3.36Å; E451-F455 PolarHBondContact O-N 3.09Å; L452-F455 PolarHBondContact O-N 2.73Å; K453-F455 VanDerWaalsContact C-N 3.3Å; K453-F455 PolarHBondContact O-N 3.07Å; F455-Q457 VanDerWaalsContact C-N 3.3Å; F455-Q457 PolarHBondContact O-N 2.85Å; F455-I458 PolarHBondContact O-N 2.99Å; F455-V459 HydrophobicContact CD2-CG2 4.07Å; F455-V459 HydrophobicContact CE1-CG2 4.26Å; F455-V459 HydrophobicContact CE2-CG2 3.75Å; F455-V459 HydrophobicContact CG-CG2 4.47Å; F455-V459 HydrophobicContact CZ-CG2 3.88Å; F455-V459 WeakPolarHBondContact O-CG2 3.29Å; F455-V459 PolarHBondContact O-N 2.94Å
456	V	98	Very high	96.9	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-37.9	177.8	167.3	0	0	0	0	111.9	L295 L452 K453 R460 I464 W486 L487	L295-V456 HydrophobicContact CD2-CG2 3.91Å; L452-V456 PolarHBondContact O-N 3Å; K453-V456 PolarHBondContact O-N 3.44Å; V456-R460 WeakPolarHBondContact O-CA 3.41Å; V456-R460 PolarHBondContact O-N 2.8Å; V456-I464 HydrophobicContact CB-CD1 4.4Å; V456-I464 HydrophobicContact CG1-CD1 3.59Å; V456-I464 HydrophobicContact CG2-CD1 3.87Å; V456-W486 HydrophobicContact CB-CE3 3.85Å; V456-W486 HydrophobicContact CB-CZ3 4.43Å; V456-W486 HydrophobicContact CG1-CB 4.15Å; V456-W486 HydrophobicContact CG1-CE3 4.07Å; V456-W486 HydrophobicContact CG2-CE3 3.82Å; V456-W486 HydrophobicContact CG2-CZ3 3.95Å; V456-L487 HydrophobicContact CG1-CD2 3.78Å; V456-L487 HydrophobicContact CG1-CG 4.1Å
457	Q	97.1	Very high	96.9	Very high	37 Å²	37	43.4 Å²	43.4	17%	0.173	19%	0.193	C	C	.	.	H	α-helix	trans	-72.7	-23.8	178.2	-69.1	-172	-49.3	0	0	114.1	K453 R454 F455 R460 W486 E489 G490	K453-Q457 VanDerWaalsContact CE-NE2 3.32Å; K453-Q457 HydrophobicContact CG-CG 4.33Å; K453-Q457 WeakPolarHBondContact O-CB 3.5Å; K453-Q457 VanDerWaalsContact O-CG 3.31Å; K453-Q457 WeakPolarHBondContact O-CG 3.39Å; K453-Q457 PolarHBondContact O-N 2.77Å; R454-Q457 PolarHBondContact O-N 2.89Å; F455-Q457 VanDerWaalsContact C-N 3.3Å; F455-Q457 PolarHBondContact O-N 2.85Å; Q457-R460 VanDerWaalsContact O-CG 3.28Å; Q457-R460 WeakPolarHBondContact O-CG 3.46Å; Q457-W486 WeakPolarHBondContact CG-O 3.45Å; Q457-W486 PolarHBondContact NE2-O 3.36Å; Q457-E489 PolarHBondContact NE2-O 3.1Å; Q457-G490 VanDerWaalsContact NE2-CA 3.26Å
458	I	96.5	Very high	96.8	Very high	78 Å²	78	45.1 Å²	45.1	40%	0.4	20%	0.204	S	C	.	.	H	α-helix	trans	-81	-47.7	171.9	-73.4	168.8	0	0	0	110.7	L280 W285 R454 F455 R460	L280-I458 HydrophobicContact CB-CD1 3.92Å; L280-I458 HydrophobicContact CD2-CD1 4.19Å; W285-I458 HydrophobicContact CB-CG2 4.03Å; W285-I458 HydrophobicContact CG-CG2 4.16Å; R454-I458 WeakPolarHBondContact O-CG1 3.48Å; R454-I458 PolarHBondContact O-N 2.92Å; F455-I458 PolarHBondContact O-N 2.99Å; I458-R460 PolarHBondContact O-N 2.9Å
459	V	96.9	Very high	96.5	Very high	12 Å²	12	48.5 Å²	48.5	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-74.3	-26.2	-175.1	178.2	0	0	0	0	112.7	W285 I290 V293 F455 P461	W285-V459 HydrophobicContact CD2-CG2 3.94Å; W285-V459 HydrophobicContact CE3-CG2 3.91Å; W285-V459 HydrophobicContact CG-CG2 4.34Å; W285-V459 HydrophobicContact CZ3-CG2 4.4Å; I290-V459 HydrophobicContact CB-CG1 3.67Å; I290-V459 HydrophobicContact CG1-CG1 3.65Å; I290-V459 HydrophobicContact CG2-CG1 4.21Å; V293-V459 HydrophobicContact CG2-CG1 3.94Å; F455-V459 HydrophobicContact CD2-CG2 4.07Å; F455-V459 HydrophobicContact CE1-CG2 4.26Å; F455-V459 HydrophobicContact CE2-CG2 3.75Å; F455-V459 HydrophobicContact CG-CG2 4.47Å; F455-V459 HydrophobicContact CZ-CG2 3.88Å; F455-V459 WeakPolarHBondContact O-CG2 3.29Å; F455-V459 PolarHBondContact O-N 2.94Å; V459-P461 VanDerWaalsContact C-CD 3.49Å
460	R	96.2	Very high	96	Very high	150 Å²	150	48.7 Å²	48.7	57%	0.566	23%	0.226	S	C	*	.			trans	38.6	54.4	-178.8	-64.3	-164.7	174.7	116.5	-12.2	115	V456 Q457 I458 G490	V456-R460 WeakPolarHBondContact O-CA 3.41Å; V456-R460 PolarHBondContact O-N 2.8Å; Q457-R460 VanDerWaalsContact O-CG 3.28Å; Q457-R460 WeakPolarHBondContact O-CG 3.46Å; I458-R460 PolarHBondContact O-N 2.9Å; R460-G490 PolarHBondContact NE-OXT 3.06Å; R460-G490 VanDerWaalsContact NH2-C 3.26Å; R460-G490 PolarHBondContact NH2-O 2.94Å; R460-G490 PolarHBondContact NH2-OXT 2.7Å
461	P	97.3	Very high	95.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.032	23%	0.231	C	C	.	.			trans	-69.3	150.2	-178.3	32.2	-38.2	0	0	0	112.6	V293 V459 R463 I464	V293-P461 HydrophobicContact CB-CB 4.37Å; V293-P461 HydrophobicContact CB-CG 4.31Å; V293-P461 HydrophobicContact CG2-CB 3.61Å; V293-P461 HydrophobicContact CG2-CG 3.73Å; V459-P461 VanDerWaalsContact C-CD 3.49Å; P461-R463 VanDerWaalsContact C-N 3.27Å; P461-R463 PolarHBondContact O-N 3.33Å; P461-I464 HydrophobicContact CG-CD1 3.94Å; P461-I464 HydrophobicContact CG-CG1 3.61Å
462	K	95.7	Very high	95	Very high	142 Å²	142	49.7 Å²	49.7	62%	0.617	24%	0.239	S	C	*	.	S	Bend	trans	-66.7	-29.2	174.2	-59.1	171.2	176.5	162.9	0	112.3	D291	D291-K462 HydrophobicContact CB-CD 4.25Å; D291-K462 WeakPolarHBondContact O-CA 3.42Å; D291-K462 WeakPolarHBondContact O-CB 3.28Å; D291-K462 PolarHBondContact O-N 3.21Å; D291-K462 WeakPolarHBondContact OD1-CD 3.5Å; D291-K462 WeakPolarHBondContact OD1-CE 3.39Å; D291-K462 IonicContact OD1-NZ 2.64Å; D291-K462 PolarHBondContact OD1-NZ 3.48Å
463	R	96.2	Very high	94.6	Very high	122 Å²	122	56.9 Å²	56.9	46%	0.46	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	137.7	-177.7	178.6	172.2	55.4	-168	-8.9	111.4	E265 D291 V292 V293 P461 I465	E265-R463 IonicContact OE1-NH2 3.39Å; E265-R463 PolarHBondContact OE1-NH2 3.35Å; D291-R463 PolarHBondContact O-N 3.35Å; D291-R463 VanDerWaalsContact O-N 3.08Å; V292-R463 WeakPolarHBondContact CA-O 3.46Å; V292-R463 VanDerWaalsContact CG2-NH2 3.34Å; V293-R463 PolarHBondContact N-O 3.12Å; P461-R463 VanDerWaalsContact C-N 3.27Å; P461-R463 PolarHBondContact O-N 3.33Å; R463-I465 HydrophobicContact CG-CG1 4.35Å
464	I	97.8	Very high	94.3	Very high	23 Å²	23	62.1 Å²	62.1	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134	174.6	-61.5	173.1	0	0	0	108.9	V293 L295 V456 P461 F483 L487	V293-I464 CarbonylContact O-C 3.52Å; V293-I464 WeakPolarHBondContact O-CA 3.46Å; L295-I464 HydrophobicContact CB-CG2 4Å; L295-I464 HydrophobicContact CD2-CG2 3.75Å; V456-I464 HydrophobicContact CB-CD1 4.4Å; V456-I464 HydrophobicContact CG1-CD1 3.59Å; V456-I464 HydrophobicContact CG2-CD1 3.87Å; P461-I464 HydrophobicContact CG-CD1 3.94Å; P461-I464 HydrophobicContact CG-CG1 3.61Å; I464-F483 HydrophobicContact CB-CD2 3.95Å; I464-F483 HydrophobicContact CB-CE2 4.31Å; I464-F483 HydrophobicContact CB-CG 4.24Å; I464-F483 HydrophobicContact CD1-CB 4.09Å; I464-F483 HydrophobicContact CD1-CD1 4.26Å; I464-F483 HydrophobicContact CD1-CG 4.1Å; I464-F483 HydrophobicContact CG2-CD1 4.26Å; I464-F483 HydrophobicContact CG2-CD2 3.7Å; I464-F483 HydrophobicContact CG2-CE1 4.16Å; I464-F483 HydrophobicContact CG2-CE2 3.58Å; I464-F483 HydrophobicContact CG2-CG 4.06Å; I464-F483 HydrophobicContact CG2-CZ 3.83Å; I464-L487 HydrophobicContact CD1-CD1 4.21Å
465	I	97.2	Very high	94	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.2	177.5	-61.8	175.5	0	0	0	106.8	F159 F160 V292 V293 F294 L295 R463	F159-I465 HydrophobicContact CE2-CG2 3.98Å; F160-I465 HydrophobicContact CB-CG2 3.85Å; V292-I465 HydrophobicContact CG1-CD1 3.82Å; V292-I465 HydrophobicContact CG1-CG1 4.29Å; V293-I465 PolarHBondContact O-N 2.92Å; F294-I465 CarbonylContact C-O 2.92Å; F294-I465 VanDerWaalsContact CA-O 3.3Å; F294-I465 WeakPolarHBondContact CA-O 3.41Å; F294-I465 HydrophobicContact CD1-CB 4.2Å; F294-I465 HydrophobicContact CD1-CD1 4.48Å; F294-I465 HydrophobicContact CD1-CG2 3.93Å; F294-I465 HydrophobicContact CD2-CD1 4.43Å; F294-I465 HydrophobicContact CE1-CB 4.47Å; F294-I465 HydrophobicContact CE1-CD1 3.98Å; F294-I465 HydrophobicContact CE1-CG2 4.08Å; F294-I465 HydrophobicContact CE2-CD1 3.88Å; F294-I465 HydrophobicContact CG-CB 4.32Å; F294-I465 HydrophobicContact CZ-CD1 3.63Å; L295-I465 PolarHBondContact N-O 2.87Å; R463-I465 HydrophobicContact CG-CG1 4.35Å
466	P	97.6	Very high	93.6	Very high	24 Å²	24	64.6 Å²	64.6	16%	0.156	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.1	176.1	29.6	-34.2	0	0	0	110	T297 T470 M479 F483	T297-P466 HydrophobicContact CG2-CB 3.93Å; T297-P466 WeakPolarHBondContact OG1-CB 3.3Å; P466-T470 HydrophobicContact CB-CG2 4Å; P466-T470 HydrophobicContact CG-CG2 3.97Å; P466-T470 WeakPolarHBondContact O-CG2 3.42Å; P466-M479 HydrophobicContact CB-CE 3.74Å; P466-M479 HydrophobicContact CB-SD 3.93Å; P466-M479 HydrophobicContact CG-CE 3.96Å; P466-F483 HydrophobicContact CB-CE2 4.49Å
467	T	96.6	Very high	93.4	Very high	23 Å²	23	69 Å²	69	14%	0.141	34%	0.335	C	S	.	.	S	Bend	trans	-99.4	-25.6	174	55.3	0	0	0	0	112.8	F160 F294 L295 T297	F160-T467 WeakPolarHBondContact CE2-O 3.39Å; F294-T467 HydrophobicContact CB-CG2 4Å; L295-T467 PolarHBondContact O-N 3.45Å; L295-T467 VanDerWaalsContact O-N 3.08Å; L295-T467 PolarHBondContact O-OG1 3.4Å; L295-T467 VanDerWaalsContact O-OG1 3.05Å; T297-T467 PolarHBondContact OG1-N 3.06Å
468	V	93.7	Very high	93.2	Very high	39 Å²	39	70.1 Å²	70.1	24%	0.236	35%	0.347	C	S	.	.	S	Bend	trans	-112.9	161.5	-177.5	-168.4	0	0	0	0	109.6	T297 T470	T297-V468 PolarHBondContact OG1-N 3.01Å; T297-V468 VanDerWaalsContact OG1-N 3.07Å; T297-V468 PolarHBondContact OG1-O 3.1Å; V468-T470 VanDerWaalsContact O-CG2 3.29Å; V468-T470 WeakPolarHBondContact O-CG2 3.34Å; V468-T470 PolarHBondContact O-N 3.05Å
469	N	89.8	Confident	93.1	Very high	72 Å²	72	66.6 Å²	66.6	39%	0.385	33%	0.329	S	S	.	.	S	Bend	trans	56.5	22.6	176.2	-65.2	-42	0	0	0	114.8	T297 T298 S471 T475 M479	T297-N469 PolarHBondContact O-ND2 2.92Å; T298-N469 PolarHBondContact O-ND2 2.88Å; T298-N469 VanDerWaalsContact O-ND2 3.12Å; N469-S471 PolarHBondContact O-N 3.34Å; N469-T475 HydrophobicContact CB-CG2 4Å; N469-T475 WeakPolarHBondContact O-CG2 3.12Å; N469-M479 HydrophobicContact CB-CE 4.28Å
470	T	85.9	Confident	93	Very high	31 Å²	31	68.7 Å²	68.7	19%	0.19	35%	0.347	C	S	.	.			trans	-82.8	-9.4	-166.4	55.2	0	0	0	0	116.1	F160 P466 V468 R476	F160-T470 HydrophobicContact CD1-CG2 4.45Å; F160-T470 HydrophobicContact CE1-CG2 4.28Å; F160-T470 WeakPolarHBondContact CE1-OG1 3.25Å; P466-T470 HydrophobicContact CB-CG2 4Å; P466-T470 HydrophobicContact CG-CG2 3.97Å; P466-T470 WeakPolarHBondContact O-CG2 3.42Å; V468-T470 VanDerWaalsContact O-CG2 3.29Å; V468-T470 WeakPolarHBondContact O-CG2 3.34Å; V468-T470 PolarHBondContact O-N 3.05Å; T470-R476 VanDerWaalsContact O-CD 3.23Å; T470-R476 WeakPolarHBondContact O-CD 3.5Å; T470-R476 VanDerWaalsContact O-CG 3.29Å; T470-R476 WeakPolarHBondContact O-CG 3.48Å; T470-R476 PolarHBondContact O-NH1 2.97Å
471	S	84.8	Confident	93	Very high	59 Å²	59	67.7 Å²	67.7	41%	0.413	35%	0.349	S	S	.	.	S	Bend	trans	-79.5	-37	-169.5	57.5	0	0	0	0	114.5	V69 N469 R476	V69-S471 WeakPolarHBondContact CG1-OG 3.27Å; V69-S471 WeakPolarHBondContact CG2-OG 3.49Å; N469-S471 PolarHBondContact O-N 3.34Å; S471-R476 PolarHBondContact O-NH1 2.81Å
472	G	86.9	Confident	92.9	Very high	22 Å²	22	67.8 Å²	67.8	23%	0.227	35%	0.35	C	S	.	.			trans	-76.9	134.3	-178.8	0	0	0	0	0	112.6	T475 R476	G472-T475 PolarHBondContact O-N 2.79Å; G472-R476 WeakPolarHBondContact O-CG 3.39Å; G472-R476 PolarHBondContact O-N 3.33Å
473	K	89.3	Confident	93	Very high	154 Å²	154	61.6 Å²	61.6	67%	0.67	32%	0.323	S	S	*	.	H	α-helix	trans	-60.4	-46.8	175.3	-178.3	-178.9	175.7	-176.2	0	111.1	R476 L477	K473-R476 PolarHBondContact O-N 3.32Å; K473-L477 HydrophobicContact CG-CD1 4.1Å; K473-L477 WeakPolarHBondContact O-CG 3.27Å; K473-L477 PolarHBondContact O-N 2.81Å
474	E	91.2	Very high	92.9	Very high	166 Å²	166	59.4 Å²	59.4	78%	0.776	33%	0.326	S	S	*	.	H	α-helix	trans	-62.5	-44.3	177.9	-68.2	162.3	-164.4	0	0	111.7	R476 L477 S478	E474-R476 PolarHBondContact O-N 2.92Å; E474-L477 PolarHBondContact O-N 3.14Å; E474-S478 WeakPolarHBondContact O-CB 3.47Å; E474-S478 PolarHBondContact O-N 3.13Å
475	T	90.2	Very high	92.9	Very high	61 Å²	61	63.6 Å²	63.6	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-44	177.6	-32.3	0	0	0	0	111.6	N469 G472 S478 M479	N469-T475 HydrophobicContact CB-CG2 4Å; N469-T475 WeakPolarHBondContact O-CG2 3.12Å; G472-T475 PolarHBondContact O-N 2.79Å; T475-S478 PolarHBondContact O-N 2.66Å; T475-M479 HydrophobicContact CG2-CE 4.36Å; T475-M479 WeakPolarHBondContact O-CB 3.46Å; T475-M479 WeakPolarHBondContact O-CG 3.33Å; T475-M479 PolarHBondContact O-N 2.8Å
476	R	91.4	Very high	92.9	Very high	114 Å²	114	62.7 Å²	62.7	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-43	173	-72.9	-167.9	-60.7	-85.3	2.2	112.6	T470 S471 G472 K473 E474 A480	T470-R476 VanDerWaalsContact O-CD 3.23Å; T470-R476 WeakPolarHBondContact O-CD 3.5Å; T470-R476 VanDerWaalsContact O-CG 3.29Å; T470-R476 WeakPolarHBondContact O-CG 3.48Å; T470-R476 PolarHBondContact O-NH1 2.97Å; S471-R476 PolarHBondContact O-NH1 2.81Å; G472-R476 WeakPolarHBondContact O-CG 3.39Å; G472-R476 PolarHBondContact O-N 3.33Å; K473-R476 PolarHBondContact O-N 3.32Å; E474-R476 PolarHBondContact O-N 2.92Å; R476-A480 WeakPolarHBondContact O-CB 3.35Å; R476-A480 PolarHBondContact O-N 2.8Å
477	L	92.8	Very high	92.7	Very high	95 Å²	95	64.5 Å²	64.5	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-66.6	-43.6	178.9	-71.9	169.3	0	0	0	111.9	K473 E474 A480 Q481	K473-L477 HydrophobicContact CG-CD1 4.1Å; K473-L477 WeakPolarHBondContact O-CG 3.27Å; K473-L477 PolarHBondContact O-N 2.81Å; E474-L477 PolarHBondContact O-N 3.14Å; L477-A480 PolarHBondContact O-N 3.24Å; L477-Q481 WeakPolarHBondContact O-CG 3.34Å; L477-Q481 PolarHBondContact O-N 3.09Å
478	S	93.7	Very high	92.6	Very high	61 Å²	61	69.1 Å²	69.1	43%	0.427	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-43.6	176.6	-177.5	0	0	0	0	112	E474 T475 Q481 T482	E474-S478 WeakPolarHBondContact O-CB 3.47Å; E474-S478 PolarHBondContact O-N 3.13Å; T475-S478 PolarHBondContact O-N 2.66Å; S478-Q481 PolarHBondContact O-N 3.11Å; S478-T482 VanDerWaalsContact O-CB 3.32Å; S478-T482 WeakPolarHBondContact O-CB 3.5Å; S478-T482 PolarHBondContact O-N 3Å; S478-T482 PolarHBondContact O-OG1 2.8Å
479	M	94.8	Very high	92.5	Very high	5 Å²	5	72.1 Å²	72.1	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-44.8	173	-72.9	-168.3	-69.1	0	0	111.9	T297 C300 P466 N469 T475 Q481 T482 F483	T297-M479 HydrophobicContact CG2-SD 3.8Å; C300-M479 HydrophobicContact CB-CG 4.3Å; C300-M479 HydrophobicContact CB-SD 4.2Å; P466-M479 HydrophobicContact CB-CE 3.74Å; P466-M479 HydrophobicContact CB-SD 3.93Å; P466-M479 HydrophobicContact CG-CE 3.96Å; N469-M479 HydrophobicContact CB-CE 4.28Å; T475-M479 HydrophobicContact CG2-CE 4.36Å; T475-M479 WeakPolarHBondContact O-CB 3.46Å; T475-M479 WeakPolarHBondContact O-CG 3.33Å; T475-M479 PolarHBondContact O-N 2.8Å; M479-Q481 PolarHBondContact O-N 3.01Å; M479-T482 WeakPolarHBondContact O-CB 3.43Å; M479-T482 PolarHBondContact O-N 3.02Å; M479-T482 VanDerWaalsContact O-N 3.15Å; M479-F483 HydrophobicContact CB-CE2 3.88Å; M479-F483 HydrophobicContact CB-CZ 3.89Å; M479-F483 HydrophobicContact CG-CZ 4.44Å; M479-F483 VanDerWaalsContact O-CD2 3.23Å; M479-F483 WeakPolarHBondContact O-CD2 3.38Å; M479-F483 WeakPolarHBondContact O-CG 3.49Å; M479-F483 PolarHBondContact O-N 3.27Å; M479-F483 HydrophobicContact SD-CZ 4.47Å
480	A	94.3	Very high	92	Very high	55 Å²	55	70.9 Å²	70.9	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-42.8	177.9	0	0	0	0	0	112.9	R476 L477 T482 F483 S484	R476-A480 WeakPolarHBondContact O-CB 3.35Å; R476-A480 PolarHBondContact O-N 2.8Å; L477-A480 PolarHBondContact O-N 3.24Å; A480-T482 VanDerWaalsContact C-N 3.34Å; A480-F483 PolarHBondContact O-N 3.27Å; A480-S484 WeakPolarHBondContact O-CB 3.43Å; A480-S484 PolarHBondContact O-N 3.11Å
481	Q	95.4	Very high	92.3	Very high	129 Å²	129	72.9 Å²	72.9	60%	0.603	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-40.2	173.3	-72.7	175.5	-7.4	0	0	112	L477 S478 M479 R485	L477-Q481 WeakPolarHBondContact O-CG 3.34Å; L477-Q481 PolarHBondContact O-N 3.09Å; S478-Q481 PolarHBondContact O-N 3.11Å; M479-Q481 PolarHBondContact O-N 3.01Å; Q481-R485 WeakPolarHBondContact O-CB 3.42Å; Q481-R485 PolarHBondContact O-N 3.48Å
482	T	96.2	Very high	92.7	Very high	7 Å²	7	73.6 Å²	73.6	4%	0.043	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-47.4	177	-63.7	0	0	0	0	111.4	Y449 S478 M479 A480 R485 W486	Y449-T482 HydrophobicContact CE2-CG2 3.79Å; S478-T482 VanDerWaalsContact O-CB 3.32Å; S478-T482 WeakPolarHBondContact O-CB 3.5Å; S478-T482 PolarHBondContact O-N 3Å; S478-T482 PolarHBondContact O-OG1 2.8Å; M479-T482 WeakPolarHBondContact O-CB 3.43Å; M479-T482 PolarHBondContact O-N 3.02Å; M479-T482 VanDerWaalsContact O-N 3.15Å; A480-T482 VanDerWaalsContact C-N 3.34Å; T482-R485 WeakPolarHBondContact O-CB 3.33Å; T482-R485 PolarHBondContact O-N 2.97Å; T482-W486 HydrophobicContact CG2-CD2 3.97Å; T482-W486 HydrophobicContact CG2-CE3 4.46Å; T482-W486 HydrophobicContact CG2-CH2 4.02Å; T482-W486 HydrophobicContact CG2-CZ2 3.47Å; T482-W486 VanDerWaalsContact CG2-CZ2 3.47Å; T482-W486 HydrophobicContact CG2-CZ3 4.48Å; T482-W486 VanDerWaalsContact O-CG 3.32Å; T482-W486 PolarHBondContact O-N 2.81Å
483	F	96.5	Very high	93.1	Very high	13 Å²	13	76.5 Å²	76.5	6%	0.057	41%	0.407	C	S	.	.	H	α-helix	trans	-62.8	-45.6	177	-59.3	-27.3	0	0	0	112.3	L295 T297 I464 P466 M479 A480 R485 W486 L487	L295-F483 HydrophobicContact CD2-CE1 3.99Å; L295-F483 HydrophobicContact CD2-CZ 4.32Å; T297-F483 HydrophobicContact CG2-CE1 4.31Å; T297-F483 HydrophobicContact CG2-CZ 3.75Å; I464-F483 HydrophobicContact CB-CD2 3.95Å; I464-F483 HydrophobicContact CB-CE2 4.31Å; I464-F483 HydrophobicContact CB-CG 4.24Å; I464-F483 HydrophobicContact CD1-CB 4.09Å; I464-F483 HydrophobicContact CD1-CD1 4.26Å; I464-F483 HydrophobicContact CD1-CG 4.1Å; I464-F483 HydrophobicContact CG2-CD1 4.26Å; I464-F483 HydrophobicContact CG2-CD2 3.7Å; I464-F483 HydrophobicContact CG2-CE1 4.16Å; I464-F483 HydrophobicContact CG2-CE2 3.58Å; I464-F483 HydrophobicContact CG2-CG 4.06Å; I464-F483 HydrophobicContact CG2-CZ 3.83Å; P466-F483 HydrophobicContact CB-CE2 4.49Å; M479-F483 HydrophobicContact CB-CE2 3.88Å; M479-F483 HydrophobicContact CB-CZ 3.89Å; M479-F483 HydrophobicContact CG-CZ 4.44Å; M479-F483 VanDerWaalsContact O-CD2 3.23Å; M479-F483 WeakPolarHBondContact O-CD2 3.38Å; M479-F483 WeakPolarHBondContact O-CG 3.49Å; M479-F483 PolarHBondContact O-N 3.27Å; M479-F483 HydrophobicContact SD-CZ 4.47Å; A480-F483 PolarHBondContact O-N 3.27Å; F483-R485 PolarHBondContact O-N 2.8Å; F483-W486 AromaticContact CD1-CE3 3.95Å; F483-W486 HydrophobicContact CD1-CE3 3.95Å; F483-W486 AromaticContact CD1-CZ3 3.9Å; F483-W486 HydrophobicContact CD1-CZ3 3.9Å; F483-W486 HydrophobicContact CE1-CE3 4.5Å; F483-W486 AromaticContact CE1-CZ3 3.99Å; F483-W486 HydrophobicContact CE1-CZ3 3.99Å; F483-W486 PolarHBondContact O-N 3.02Å; F483-L487 WeakPolarHBondContact O-CB 3.22Å; F483-L487 WeakPolarHBondContact O-CG 3.45Å; F483-L487 PolarHBondContact O-N 3.12Å
484	S	95.5	Very high	93.3	Very high	75 Å²	75	71.9 Å²	71.9	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-57.8	-39.1	175.8	-171.2	0	0	0	0	111.7	A480 T488	A480-S484 WeakPolarHBondContact O-CB 3.43Å; A480-S484 PolarHBondContact O-N 3.11Å; S484-T488 WeakPolarHBondContact O-CB 3.48Å; S484-T488 PolarHBondContact O-N 3.02Å; S484-T488 PolarHBondContact O-OG1 3.43Å
485	R	96.5	Very high	93.4	Very high	112 Å²	112	66.1 Å²	66.1	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-67.1	-51.7	176.7	-160.9	-166.5	-52.8	145.9	11.2	111.3	Q481 T482 F483 L487 T488 E489	Q481-R485 WeakPolarHBondContact O-CB 3.42Å; Q481-R485 PolarHBondContact O-N 3.48Å; T482-R485 WeakPolarHBondContact O-CB 3.33Å; T482-R485 PolarHBondContact O-N 2.97Å; F483-R485 PolarHBondContact O-N 2.8Å; R485-L487 VanDerWaalsContact C-N 3.29Å; R485-L487 PolarHBondContact O-N 3.27Å; R485-T488 PolarHBondContact O-N 2.94Å; R485-E489 WeakPolarHBondContact CD-OE1 3.19Å; R485-E489 HydrophobicContact CG-CG 4.14Å; R485-E489 VanDerWaalsContact CG-OE1 3.27Å; R485-E489 WeakPolarHBondContact CG-OE1 3.49Å; R485-E489 WeakPolarHBondContact O-CB 2.92Å; R485-E489 WeakPolarHBondContact O-CG 3.49Å; R485-E489 PolarHBondContact O-N 3.48Å
486	W	97.2	Very high	93.6	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-57	-41.2	179.7	-65.5	-11.8	0	0	0	112.9	Y449 L452 K453 V456 Q457 T482 F483 T488 E489 G490	Y449-W486 HydrophobicContact CD2-CH2 4.5Å; Y449-W486 AromaticContact CD2-CZ2 3.81Å; Y449-W486 HydrophobicContact CD2-CZ2 3.81Å; Y449-W486 HydrophobicContact CE1-CZ2 4.36Å; Y449-W486 HydrophobicContact CE2-CH2 4.42Å; Y449-W486 AromaticContact CE2-CZ2 3.47Å; Y449-W486 HydrophobicContact CE2-CZ2 3.47Å; Y449-W486 VanDerWaalsContact CE2-CZ2 3.47Å; Y449-W486 HydrophobicContact CG-CZ2 4.41Å; Y449-W486 AromaticContact CZ-CZ2 3.75Å; Y449-W486 AromaticContact CZ-NE1 3.69Å; Y449-W486 PolarHBondContact OH-NE1 2.93Å; L452-W486 HydrophobicContact CB-CH2 3.55Å; L452-W486 HydrophobicContact CB-CZ2 4.46Å; L452-W486 HydrophobicContact CB-CZ3 3.98Å; L452-W486 HydrophobicContact CD1-CH2 4.46Å; K453-W486 HydrophobicContact CB-CD2 3.98Å; K453-W486 HydrophobicContact CB-CG 4.26Å; K453-W486 HydrophobicContact CB-CZ2 3.91Å; K453-W486 HydrophobicContact CD-CG 4.39Å; K453-W486 HydrophobicContact CG-CD2 4.18Å; K453-W486 HydrophobicContact CG-CG 3.91Å; V456-W486 HydrophobicContact CB-CE3 3.85Å; V456-W486 HydrophobicContact CB-CZ3 4.43Å; V456-W486 HydrophobicContact CG1-CB 4.15Å; V456-W486 HydrophobicContact CG1-CE3 4.07Å; V456-W486 HydrophobicContact CG2-CE3 3.82Å; V456-W486 HydrophobicContact CG2-CZ3 3.95Å; Q457-W486 WeakPolarHBondContact CG-O 3.45Å; Q457-W486 PolarHBondContact NE2-O 3.36Å; T482-W486 HydrophobicContact CG2-CD2 3.97Å; T482-W486 HydrophobicContact CG2-CE3 4.46Å; T482-W486 HydrophobicContact CG2-CH2 4.02Å; T482-W486 HydrophobicContact CG2-CZ2 3.47Å; T482-W486 VanDerWaalsContact CG2-CZ2 3.47Å; T482-W486 HydrophobicContact CG2-CZ3 4.48Å; T482-W486 VanDerWaalsContact O-CG 3.32Å; T482-W486 PolarHBondContact O-N 2.81Å; F483-W486 AromaticContact CD1-CE3 3.95Å; F483-W486 HydrophobicContact CD1-CE3 3.95Å; F483-W486 AromaticContact CD1-CZ3 3.9Å; F483-W486 HydrophobicContact CD1-CZ3 3.9Å; F483-W486 HydrophobicContact CE1-CE3 4.5Å; F483-W486 AromaticContact CE1-CZ3 3.99Å; F483-W486 HydrophobicContact CE1-CZ3 3.99Å; F483-W486 PolarHBondContact O-N 3.02Å; W486-T488 VanDerWaalsContact C-N 3.25Å; W486-T488 PolarHBondContact O-N 2.68Å; W486-E489 PolarHBondContact O-N 2.86Å; W486-G490 PolarHBondContact O-N 2.65Å
487	L	94.5	Very high	93.8	Very high	62 Å²	62	63 Å²	63	33%	0.325	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.5	177.4	-68	171.1	0	0	0	114	V456 I464 F483 R485	V456-L487 HydrophobicContact CG1-CD2 3.78Å; V456-L487 HydrophobicContact CG1-CG 4.1Å; I464-L487 HydrophobicContact CD1-CD1 4.21Å; F483-L487 WeakPolarHBondContact O-CB 3.22Å; F483-L487 WeakPolarHBondContact O-CG 3.45Å; F483-L487 PolarHBondContact O-N 3.12Å; R485-L487 VanDerWaalsContact C-N 3.29Å; R485-L487 PolarHBondContact O-N 3.27Å
488	T	93.5	Very high	93.9	Very high	119 Å²	119	60.5 Å²	60.5	73%	0.73	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-28.3	174.2	-53.1	0	0	0	0	111.6	S484 R485 W486 G490	S484-T488 WeakPolarHBondContact O-CB 3.48Å; S484-T488 PolarHBondContact O-N 3.02Å; S484-T488 PolarHBondContact O-OG1 3.43Å; R485-T488 PolarHBondContact O-N 2.94Å; W486-T488 VanDerWaalsContact C-N 3.25Å; W486-T488 PolarHBondContact O-N 2.68Å; T488-G490 VanDerWaalsContact C-N 3.34Å
489	E	92.2	Very high	93.9	Very high	102 Å²	102	60.5 Å²	60.5	48%	0.477	35%	0.345	S	S	.	.			trans	-84.1	2.2	178	-72	175.6	167.8	0	0	114.2	K453 Q457 R485 W486	K453-E489 WeakPolarHBondContact CE-OE2 3.22Å; K453-E489 IonicContact NZ-OE2 3.8Å; K453-E489 PolarHBondContact NZ-OE2 2.93Å; Q457-E489 PolarHBondContact NE2-O 3.1Å; R485-E489 WeakPolarHBondContact CD-OE1 3.19Å; R485-E489 HydrophobicContact CG-CG 4.14Å; R485-E489 VanDerWaalsContact CG-OE1 3.27Å; R485-E489 WeakPolarHBondContact CG-OE1 3.49Å; R485-E489 WeakPolarHBondContact O-CB 2.92Å; R485-E489 WeakPolarHBondContact O-CG 3.49Å; R485-E489 PolarHBondContact O-N 3.48Å; W486-E489 PolarHBondContact O-N 2.86Å
490	G	79.9	Confident	93.8	Very high	47 Å²	47	65.5 Å²	65.5	49%	0.485	38%	0.375	S	S	.	.			trans	-137.9	0	-166	0	0	0	0	0	115.1	Q457 R460 W486 T488	Q457-G490 VanDerWaalsContact NE2-CA 3.26Å; R460-G490 PolarHBondContact NE-OXT 3.06Å; R460-G490 VanDerWaalsContact NH2-C 3.26Å; R460-G490 PolarHBondContact NH2-O 2.94Å; R460-G490 PolarHBondContact NH2-OXT 2.7Å; W486-G490 PolarHBondContact O-N 2.65Å; T488-G490 VanDerWaalsContact C-N 3.34Å

Retrieved 490 of 490 residues in 1855.6 ms (Link to these results)

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