A0A077Z9E4_TRITR Loading...

Glutamate--cysteine ligase

AlphaFold DB , UniProt , Accession A0A077Z9E4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.6	Very low	27.9	Very low	247 Å²	247	116.2 Å²	116.2	100%	1.217	64%	0.638	S	S	*	*				0	85.8	0	-74.6	172.1	179.3	0	0	107.1
2	C	19.6	Very low	29.3	Very low	118 Å²	118	110.9 Å²	110.9	80%	0.797	60%	0.604	S	S	*	*			trans	-102.5	101.2	169.7	-71.4	0	0	0	0	106.2	F4	C2-F4 PolarHBondContact O-N 3.14Å
3	S	21.2	Very low	30.8	Very low	100 Å²	100	114.2 Å²	114.2	70%	0.699	61%	0.609	S	S	*	*			trans	-72.7	113.8	161.9	58.2	0	0	0	0	106.7	D5	S3-D5 VanDerWaalsContact C-N 3.31Å; S3-D5 PolarHBondContact O-N 2.9Å; S3-D5 VanDerWaalsContact O-N 3.1Å
4	F	22.9	Very low	32.8	Very low	176 Å²	176	113.1 Å²	113.1	77%	0.772	60%	0.596	S	S	*	*			trans	-71.9	95.5	161.7	-82.7	-92	0	0	0	106.8	C2 N6	C2-F4 PolarHBondContact O-N 3.14Å; F4-N6 PolarHBondContact O-N 3.2Å
5	D	21.8	Very low	34.1	Very low	142 Å²	142	111.4 Å²	111.4	76%	0.759	59%	0.592	S	S	*	*			trans	-67.1	85.7	161.4	-76.6	-33.8	0	0	0	107.9	S3 C7	S3-D5 VanDerWaalsContact C-N 3.31Å; S3-D5 PolarHBondContact O-N 2.9Å; S3-D5 VanDerWaalsContact O-N 3.1Å; D5-C7 PolarHBondContact O-N 2.94Å
6	N	24.1	Very low	35.3	Very low	136 Å²	136	113.2 Å²	113.2	73%	0.727	60%	0.601	S	S	*	*			trans	-73.8	72.3	166.7	-83.5	-15.7	0	0	0	108.9	F4 V8	F4-N6 PolarHBondContact O-N 3.2Å; N6-V8 VanDerWaalsContact C-N 3.29Å; N6-V8 PolarHBondContact O-N 3.15Å; N6-V8 VanDerWaalsContact O-N 3.15Å
7	C	24.7	Very low	36.3	Very low	107 Å²	107	111.2 Å²	111.2	72%	0.723	59%	0.586	S	S	*	*			trans	-82.2	83	165.2	-156.1	0	0	0	0	107.5	D5 Q9	D5-C7 PolarHBondContact O-N 2.94Å; C7-Q9 PolarHBondContact O-N 3.12Å
8	V	28.6	Very low	37	Very low	62 Å²	62	112.6 Å²	112.6	38%	0.376	59%	0.593	S	S	.	*			trans	-73.4	114.4	175	-178.7	0	0	0	0	108.8	N6 Y525	N6-V8 VanDerWaalsContact C-N 3.29Å; N6-V8 PolarHBondContact O-N 3.15Å; N6-V8 VanDerWaalsContact O-N 3.15Å; V8-Y525 HydrophobicContact CB-CE2 4.4Å; V8-Y525 HydrophobicContact CG1-CD2 4.39Å; V8-Y525 HydrophobicContact CG1-CE1 4.42Å; V8-Y525 HydrophobicContact CG1-CE2 3.46Å; V8-Y525 VanDerWaalsContact CG1-CE2 3.46Å; V8-Y525 WeakPolarHBondContact CG1-OH 3.47Å
9	Q	30.7	Very low	37.6	Very low	95 Å²	95	109.7 Å²	109.7	44%	0.444	58%	0.577	S	S	.	*			trans	-82	137.4	-171.7	-63	172.8	-4.3	0	0	111.2	C7 W69	C7-Q9 PolarHBondContact O-N 3.12Å; Q9-W69 HydrophobicContact CG-CH2 4.16Å; Q9-W69 HydrophobicContact CG-CZ3 4.23Å
10	R	46.1	Very low	37.6	Very low	51 Å²	51	107.7 Å²	107.7	19%	0.192	59%	0.585	C	S	.	*			trans	-143.2	129	-176.3	-58.8	-178.4	-156.2	136.8	7.2	110.9	D521 Y525	R10-D521 IonicContact CZ-OD2 3.33Å; R10-D521 PolarHBondContact NH1-O 3.09Å; R10-D521 VanDerWaalsContact NH1-O 3.15Å; R10-D521 IonicContact NH1-OD1 3.76Å; R10-D521 PolarHBondContact NH1-OD1 2.9Å; R10-D521 VanDerWaalsContact NH1-OD1 3.13Å; R10-D521 IonicContact NH1-OD2 2.66Å; R10-D521 PolarHBondContact NH1-OD2 3.44Å; R10-D521 IonicContact NH2-OD2 3.89Å; R10-Y525 VanDerWaalsContact NH1-CB 3.32Å; R10-Y525 VanDerWaalsContact NH2-CD1 3.29Å
11	S	38.5	Very low	38.5	Very low	44 Å²	44	110 Å²	110	31%	0.308	59%	0.592	S	S	.	*			trans	-138.2	148	-176.1	88.3	0	0	0	0	111.6
12	F	44.3	Very low	40.2	Very low	53 Å²	53	103.4 Å²	103.4	23%	0.232	57%	0.567	C	S	.	*			trans	-109.7	122.9	173.3	177.1	-101.1	0	0	0	110.5	K14 F59 L62 G162	F12-K14 HydrophobicContact CE1-CB 4.32Å; F12-K14 HydrophobicContact CZ-CB 4.06Å; F12-F59 HydrophobicContact CB-CG 4.31Å; F12-F59 HydrophobicContact CD2-CB 3.73Å; F12-F59 HydrophobicContact CD2-CD2 4.34Å; F12-F59 HydrophobicContact CD2-CG 4.15Å; F12-F59 HydrophobicContact CE2-CB 4.09Å; F12-F59 HydrophobicContact CG-CB 4.18Å; F12-F59 HydrophobicContact CG-CG 4.39Å; F12-L62 HydrophobicContact CD1-CD1 4.03Å; F12-L62 HydrophobicContact CE1-CD1 4.33Å; F12-G162 WeakPolarHBondContact CZ-O 3.26Å
13	K	49.5	Very low	42.8	Very low	154 Å²	154	101.6 Å²	101.6	67%	0.67	54%	0.544	S	S	*	.			trans	-132.4	138.1	162.7	-71.2	179.4	-176.8	166.2	0	108.2
14	K	59.3	Low	45	Very low	98 Å²	98	101.5 Å²	101.5	43%	0.426	54%	0.543	S	S	.	.			trans	-92.6	136.2	178.9	-177.4	170.7	173	176.8	0	110	F12 M161 C163	F12-K14 HydrophobicContact CE1-CB 4.32Å; F12-K14 HydrophobicContact CZ-CB 4.06Å; K14-M161 PolarHBondContact NZ-O 2.71Å; K14-C163 PolarHBondContact NZ-O 3.07Å
15	V	51.4	Low	47.4	Very low	88 Å²	88	97.1 Å²	97.1	53%	0.533	53%	0.531	S	S	.	.			trans	-126.5	141	174.1	-160.6	0	0	0	0	109.8	F17	V15-F17 HydrophobicContact CB-CE2 4.27Å; V15-F17 HydrophobicContact CG1-CD2 3.79Å; V15-F17 HydrophobicContact CG1-CE2 3.25Å; V15-F17 HydrophobicContact CG1-CZ 4.13Å
16	L	52.8	Low	49.7	Very low	140 Å²	140	91.9 Å²	91.9	73%	0.733	50%	0.503	S	S	*	.			trans	-118.1	132	175.2	175.3	66.1	0	0	0	108.5
17	F	52.7	Low	52	Low	79 Å²	79	88.6 Å²	88.6	35%	0.346	49%	0.485	S	S	.	.			trans	-128.7	137	170.7	-77.9	-93.3	0	0	0	111.8	V15 R39 I43	V15-F17 HydrophobicContact CB-CE2 4.27Å; V15-F17 HydrophobicContact CG1-CD2 3.79Å; V15-F17 HydrophobicContact CG1-CE2 3.25Å; V15-F17 HydrophobicContact CG1-CZ 4.13Å; F17-R39 HydrophobicContact CB-CB 4.4Å; F17-R39 VanDerWaalsContact CB-CD 3.45Å; F17-R39 HydrophobicContact CB-CG 4.18Å; F17-R39 HydrophobicContact CD1-CB 4.48Å; F17-R39 HydrophobicContact CD1-CG 4.28Å; F17-R39 HydrophobicContact CG-CB 4.37Å; F17-R39 HydrophobicContact CG-CG 4.4Å; F17-R39 PolarHBondContact O-NH1 2.87Å; F17-R39 VanDerWaalsContact O-NH1 3.15Å; F17-I43 HydrophobicContact CD2-CD1 3.73Å; F17-I43 HydrophobicContact CD2-CG1 4.17Å; F17-I43 HydrophobicContact CE2-CD1 3.24Å; F17-I43 HydrophobicContact CE2-CG1 3.23Å; F17-I43 HydrophobicContact CZ-CD1 4.06Å; F17-I43 HydrophobicContact CZ-CG1 3.53Å
18	L	50.1	Low	54.7	Low	137 Å²	137	84.4 Å²	84.4	72%	0.717	46%	0.457	S	S	*	.			trans	-108.4	166.9	172.7	-61.8	174.6	0	0	0	109.7
19	L	47	Very low	57.3	Low	57 Å²	57	82 Å²	82	30%	0.298	44%	0.441	S	S	.	.			trans	-68.8	144.8	169.2	-65.4	160.9	0	0	0	110.1	Q21 Y23 N35	L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 WeakPolarHBondContact CB-O 3.26Å; L19-Q21 PolarHBondContact O-N 3.18Å; L19-Y23 HydrophobicContact CD1-CD2 3.65Å; L19-Y23 HydrophobicContact CD1-CE1 4.41Å; L19-Y23 HydrophobicContact CD1-CE2 3.21Å; L19-Y23 HydrophobicContact CD1-CG 4.41Å; L19-Y23 HydrophobicContact CD2-CE1 4.08Å; L19-Y23 HydrophobicContact CD2-CE2 3.88Å; L19-Y23 VanDerWaalsContact CD2-CZ 3.4Å; L19-Y23 WeakPolarHBondContact CD2-OH 3.2Å; L19-Y23 HydrophobicContact CG-CE2 4.16Å; L19-N35 HydrophobicContact CD2-CB 4.23Å; L19-N35 WeakPolarHBondContact CD2-OD1 3.45Å
20	G	38.4	Very low	59.7	Low	70 Å²	70	80.3 Å²	80.3	72%	0.722	44%	0.436	S	S	*	.	S	Bend	trans	-68.2	-26	171	0	0	0	0	0	113.3
21	Q	55.6	Low	61.8	Low	156 Å²	156	80.4 Å²	80.4	73%	0.729	44%	0.442	S	S	*	.	S	Bend	trans	-147.3	147.2	174.7	-71.6	-62.9	-38.9	0	0	110.6	L19	L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 WeakPolarHBondContact CB-O 3.26Å; L19-Q21 PolarHBondContact O-N 3.18Å
22	P	64.8	Low	64.2	Low	109 Å²	109	78.6 Å²	78.6	71%	0.708	43%	0.429	S	S	*	.			trans	-62.6	149.6	174.1	-20.2	32.1	0	0	0	113.2
23	Y	74.4	Confident	66.5	Low	79 Å²	79	76.1 Å²	76.1	31%	0.31	42%	0.418	S	S	.	.			trans	-74.2	142.2	168.6	-58.2	-58.4	0	0	0	110.7	L19 T31 V32	L19-Y23 HydrophobicContact CD1-CD2 3.65Å; L19-Y23 HydrophobicContact CD1-CE1 4.41Å; L19-Y23 HydrophobicContact CD1-CE2 3.21Å; L19-Y23 HydrophobicContact CD1-CG 4.41Å; L19-Y23 HydrophobicContact CD2-CE1 4.08Å; L19-Y23 HydrophobicContact CD2-CE2 3.88Å; L19-Y23 VanDerWaalsContact CD2-CZ 3.4Å; L19-Y23 WeakPolarHBondContact CD2-OH 3.2Å; L19-Y23 HydrophobicContact CG-CE2 4.16Å; Y23-T31 VanDerWaalsContact CE1-OG1 3.3Å; Y23-T31 WeakPolarHBondContact CE1-OG1 3.36Å; Y23-V32 HydrophobicContact CD2-CG2 4.3Å; Y23-V32 HydrophobicContact CE1-CG2 4.47Å; Y23-V32 HydrophobicContact CE2-CG1 4.5Å; Y23-V32 HydrophobicContact CE2-CG2 3.78Å; Y23-V32 WeakPolarHBondContact OH-CA 3.5Å
24	S	68.5	Low	68.4	Low	98 Å²	98	71 Å²	71	69%	0.685	40%	0.398	S	S	*	.			trans	-120.3	-23.3	-170	59.4	0	0	0	0	115.5
25	V	72.2	Confident	69.9	Low	85 Å²	85	68 Å²	68	52%	0.515	39%	0.387	S	S	.	.	S	Bend	trans	-138.2	160.6	-174.6	-66.5	0	0	0	0	112.1	N27 S28	V25-N27 HydrophobicContact CG2-CB 4.18Å; V25-N27 PolarHBondContact O-N 3.31Å; V25-N27 VanDerWaalsContact O-N 3.16Å; V25-S28 PolarHBondContact N-OG 3.27Å; V25-S28 WeakPolarHBondContact O-CB 3.43Å; V25-S28 PolarHBondContact O-N 2.93Å; V25-S28 PolarHBondContact O-OG 3.1Å
26	L	70.4	Confident	71.8	Confident	32 Å²	32	64.8 Å²	64.8	17%	0.168	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-57	-29.1	175.9	-72.1	177.8	0	0	0	112.9	S28 F29 R374 Y467 A471 V473	L26-S28 PolarHBondContact O-N 2.94Å; L26-F29 HydrophobicContact CD2-CD2 4.39Å; L26-F29 HydrophobicContact CD2-CE2 3.6Å; L26-F29 HydrophobicContact CD2-CZ 4.09Å; L26-F29 WeakPolarHBondContact O-CB 3.11Å; L26-F29 WeakPolarHBondContact O-CD2 3.32Å; L26-F29 PolarHBondContact O-N 3.34Å; L26-R374 HydrophobicContact CD2-CG 4.2Å; L26-Y467 HydrophobicContact CD1-CE1 4.37Å; L26-A471 HydrophobicContact CD1-CB 4.22Å; L26-V473 HydrophobicContact CB-CG1 3.86Å; L26-V473 HydrophobicContact CD1-CG1 3.81Å; L26-V473 HydrophobicContact CG-CG1 4.45Å
27	N	71.7	Confident	73.6	Confident	67 Å²	67	61 Å²	61	36%	0.358	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-69.8	-16.5	175.3	-71	-17.1	0	0	0	113	V25 F29 N30	V25-N27 HydrophobicContact CG2-CB 4.18Å; V25-N27 PolarHBondContact O-N 3.31Å; V25-N27 VanDerWaalsContact O-N 3.16Å; N27-F29 PolarHBondContact O-N 3.2Å; N27-N30 VanDerWaalsContact O-CG 3.25Å; N27-N30 PolarHBondContact O-OD1 3.05Å
28	S	82.2	Confident	75.4	Confident	18 Å²	18	61.6 Å²	61.6	13%	0.126	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-67.8	-14	175.2	-56.5	0	0	0	0	113.2	V25 L26 N30 T31	V25-S28 PolarHBondContact N-OG 3.27Å; V25-S28 WeakPolarHBondContact O-CB 3.43Å; V25-S28 PolarHBondContact O-N 2.93Å; V25-S28 PolarHBondContact O-OG 3.1Å; L26-S28 PolarHBondContact O-N 2.94Å; S28-N30 PolarHBondContact O-N 3.36Å; S28-T31 PolarHBondContact O-N 3.12Å; S28-T31 PolarHBondContact O-OG1 2.84Å
29	F	81.9	Confident	77.3	Confident	11 Å²	11	57.2 Å²	57.2	5%	0.048	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.9	179.3	-81.5	-112.1	0	0	0	113	L26 N27 T31 V32 C367 V370 L371 T477 L481	L26-F29 HydrophobicContact CD2-CD2 4.39Å; L26-F29 HydrophobicContact CD2-CE2 3.6Å; L26-F29 HydrophobicContact CD2-CZ 4.09Å; L26-F29 WeakPolarHBondContact O-CB 3.11Å; L26-F29 WeakPolarHBondContact O-CD2 3.32Å; L26-F29 PolarHBondContact O-N 3.34Å; N27-F29 PolarHBondContact O-N 3.2Å; F29-T31 PolarHBondContact O-N 3.21Å; F29-V32 PolarHBondContact O-N 2.91Å; F29-C367 HydrophobicContact CD1-CB 3.53Å; F29-C367 WeakPolarHBondContact CD1-SG 3.5Å; F29-C367 HydrophobicContact CE1-CB 3.76Å; F29-C367 VanDerWaalsContact CE1-O 3.31Å; F29-C367 WeakPolarHBondContact CE1-O 3.5Å; F29-V370 HydrophobicContact CE1-CB 4.24Å; F29-V370 HydrophobicContact CE1-CG1 4.37Å; F29-V370 HydrophobicContact CE2-CG1 3.88Å; F29-V370 HydrophobicContact CZ-CB 3.82Å; F29-V370 HydrophobicContact CZ-CG1 3.49Å; F29-V370 VanDerWaalsContact CZ-CG1 3.49Å; F29-L371 HydrophobicContact CE1-CB 4.24Å; F29-L371 HydrophobicContact CZ-CB 4.37Å; F29-T477 HydrophobicContact CB-CG2 4.12Å; F29-L481 HydrophobicContact CB-CD2 4.5Å; F29-L481 HydrophobicContact CD1-CD1 4.46Å; F29-L481 HydrophobicContact CD1-CD2 3.36Å; F29-L481 HydrophobicContact CD1-CG 4.25Å; F29-L481 HydrophobicContact CE1-CD2 3.75Å; F29-L481 HydrophobicContact CG-CD2 4.21Å
30	N	83.1	Confident	79.4	Confident	61 Å²	61	56 Å²	56	33%	0.326	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-71.4	-13.9	177.1	68.8	1.9	0	0	0	113.8	N27 S28 L480	N27-N30 VanDerWaalsContact O-CG 3.25Å; N27-N30 PolarHBondContact O-OD1 3.05Å; S28-N30 PolarHBondContact O-N 3.36Å; N30-L480 HydrophobicContact CB-CD2 4.06Å
31	T	88.5	Confident	81.9	Confident	53 Å²	53	56 Å²	56	33%	0.325	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-95.3	-11.1	179.4	70.5	0	0	0	0	113.7	Y23 S28 F29 L34 N35	Y23-T31 VanDerWaalsContact CE1-OG1 3.3Å; Y23-T31 WeakPolarHBondContact CE1-OG1 3.36Å; S28-T31 PolarHBondContact O-N 3.12Å; S28-T31 PolarHBondContact O-OG1 2.84Å; F29-T31 PolarHBondContact O-N 3.21Å; T31-L34 PolarHBondContact O-N 2.93Å; T31-N35 VanDerWaalsContact O-CB 3.27Å; T31-N35 WeakPolarHBondContact O-CB 3.32Å; T31-N35 PolarHBondContact O-N 2.78Å
32	V	90.1	Very high	83.6	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.03	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-54.1	-173	-179.7	0	0	0	0	111.8	Y23 F29 N35 M36 A363 V366	Y23-V32 HydrophobicContact CD2-CG2 4.3Å; Y23-V32 HydrophobicContact CE1-CG2 4.47Å; Y23-V32 HydrophobicContact CE2-CG1 4.5Å; Y23-V32 HydrophobicContact CE2-CG2 3.78Å; Y23-V32 WeakPolarHBondContact OH-CA 3.5Å; F29-V32 PolarHBondContact O-N 2.91Å; V32-N35 PolarHBondContact O-N 2.96Å; V32-M36 HydrophobicContact CG1-CE 3.92Å; V32-M36 HydrophobicContact CG1-SD 4.46Å; V32-M36 WeakPolarHBondContact O-CG 3.35Å; V32-M36 PolarHBondContact O-N 3.22Å; V32-A363 HydrophobicContact CB-CB 4.32Å; V32-A363 HydrophobicContact CG1-CB 3.89Å; V32-V366 HydrophobicContact CG1-CB 4.23Å; V32-V366 HydrophobicContact CG1-CG1 4.13Å
33	E	91.7	Very high	84.9	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-42.7	178	-179.9	-175.3	146.9	0	0	111.6	N35 M36 R37 D359 A363 Y484 W555	E33-N35 VanDerWaalsContact C-N 3.32Å; E33-N35 PolarHBondContact O-N 2.81Å; E33-M36 PolarHBondContact O-N 2.89Å; E33-R37 WeakPolarHBondContact O-CB 3.47Å; E33-R37 PolarHBondContact O-N 3.19Å; E33-R37 IonicContact OE1-CZ 2.7Å; E33-R37 IonicContact OE1-NH2 3.38Å; E33-R37 PolarHBondContact OE1-NH2 3.49Å; E33-D359 HydrophobicContact CG-CB 4.31Å; E33-A363 HydrophobicContact CB-CB 3.73Å; E33-Y484 WeakPolarHBondContact CB-OH 3.49Å; E33-Y484 PolarHBondContact OE2-OH 3.26Å; E33-W555 PolarHBondContact OE1-NE1 2.9Å
34	L	90.3	Very high	85.6	Confident	48 Å²	48	48.6 Å²	48.6	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-44.8	178.9	179.8	62.6	0	0	0	111	T31 R37 Q38	T31-L34 PolarHBondContact O-N 2.93Å; L34-R37 PolarHBondContact O-N 2.84Å; L34-Q38 WeakPolarHBondContact O-CG 3.15Å; L34-Q38 PolarHBondContact O-N 3.14Å
35	N	90.2	Very high	86.8	Confident	35 Å²	35	53.3 Å²	53.3	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-39.2	178.1	179.4	-84.1	0	0	0	112.5	L19 T31 V32 E33 R37 Q38 R39	L19-N35 HydrophobicContact CD2-CB 4.23Å; L19-N35 WeakPolarHBondContact CD2-OD1 3.45Å; T31-N35 VanDerWaalsContact O-CB 3.27Å; T31-N35 WeakPolarHBondContact O-CB 3.32Å; T31-N35 PolarHBondContact O-N 2.78Å; V32-N35 PolarHBondContact O-N 2.96Å; E33-N35 VanDerWaalsContact C-N 3.32Å; E33-N35 PolarHBondContact O-N 2.81Å; N35-R37 VanDerWaalsContact C-N 3.32Å; N35-Q38 PolarHBondContact O-N 3.46Å; N35-R39 WeakPolarHBondContact O-CG 3.33Å; N35-R39 PolarHBondContact O-N 2.87Å; N35-R39 VanDerWaalsContact O-N 3.1Å; N35-R39 PolarHBondContact O-NE 2.98Å; N35-R39 PolarHBondContact OD1-NE 3.2Å; N35-R39 PolarHBondContact OD1-NH2 3.2Å
36	M	91.4	Very high	87.8	Confident	20 Å²	20	56.5 Å²	56.5	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-44.2	173.2	-72.2	177.3	177.4	0	0	111.2	V32 E33 R39 R40 L166 D359 N362 A363 V366	V32-M36 HydrophobicContact CG1-CE 3.92Å; V32-M36 HydrophobicContact CG1-SD 4.46Å; V32-M36 WeakPolarHBondContact O-CG 3.35Å; V32-M36 PolarHBondContact O-N 3.22Å; E33-M36 PolarHBondContact O-N 2.89Å; M36-R39 PolarHBondContact O-N 3.25Å; M36-R40 PolarHBondContact O-N 3.17Å; M36-R40 VanDerWaalsContact O-N 3.08Å; M36-L166 HydrophobicContact CE-CD1 4.22Å; M36-D359 HydrophobicContact CB-CB 3.96Å; M36-N362 HydrophobicContact CE-CB 4.05Å; M36-N362 HydrophobicContact SD-CB 3.6Å; M36-N362 VanDerWaalsContact SD-CB 3.6Å; M36-A363 HydrophobicContact SD-CB 4.24Å; M36-V366 HydrophobicContact CE-CG2 3.69Å
37	R	90.6	Very high	88.9	Confident	60 Å²	60	57.5 Å²	57.5	23%	0.226	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-42	176.6	-173.9	179.8	-63.8	149.7	8.8	112.3	E33 L34 N35 R39 R40 N41 D359	E33-R37 WeakPolarHBondContact O-CB 3.47Å; E33-R37 PolarHBondContact O-N 3.19Å; E33-R37 IonicContact OE1-CZ 2.7Å; E33-R37 IonicContact OE1-NH2 3.38Å; E33-R37 PolarHBondContact OE1-NH2 3.49Å; L34-R37 PolarHBondContact O-N 2.84Å; N35-R37 VanDerWaalsContact C-N 3.32Å; R37-R39 VanDerWaalsContact C-N 3.35Å; R37-R39 PolarHBondContact O-N 2.98Å; R37-R40 PolarHBondContact O-N 3.15Å; R37-N41 WeakPolarHBondContact O-CB 3.17Å; R37-N41 PolarHBondContact O-N 3.14Å; R37-N41 PolarHBondContact O-ND2 2.71Å; R37-N41 PolarHBondContact O-OD1 3.03Å; R37-D359 WeakPolarHBondContact CA-OD2 3.39Å
38	Q	91.4	Very high	89.9	Confident	91 Å²	91	56.2 Å²	56.2	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-46.7	176.2	-77.7	172.6	-16	0	0	111.4	L34 N35 R40 N41 E42	L34-Q38 WeakPolarHBondContact O-CG 3.15Å; L34-Q38 PolarHBondContact O-N 3.14Å; N35-Q38 PolarHBondContact O-N 3.46Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.3Å; Q38-N41 PolarHBondContact O-N 3.01Å; Q38-E42 WeakPolarHBondContact O-CG 3.29Å; Q38-E42 PolarHBondContact O-N 3.25Å
39	R	89.8	Confident	90.3	Very high	45 Å²	45	60.4 Å²	60.4	17%	0.17	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-44.4	175	-72.4	177.7	-87.8	172.1	-8.1	112.1	F17 N35 M36 R37 E42 I43	F17-R39 HydrophobicContact CB-CB 4.4Å; F17-R39 VanDerWaalsContact CB-CD 3.45Å; F17-R39 HydrophobicContact CB-CG 4.18Å; F17-R39 HydrophobicContact CD1-CB 4.48Å; F17-R39 HydrophobicContact CD1-CG 4.28Å; F17-R39 HydrophobicContact CG-CB 4.37Å; F17-R39 HydrophobicContact CG-CG 4.4Å; F17-R39 PolarHBondContact O-NH1 2.87Å; F17-R39 VanDerWaalsContact O-NH1 3.15Å; N35-R39 WeakPolarHBondContact O-CG 3.33Å; N35-R39 PolarHBondContact O-N 2.87Å; N35-R39 VanDerWaalsContact O-N 3.1Å; N35-R39 PolarHBondContact O-NE 2.98Å; N35-R39 PolarHBondContact OD1-NE 3.2Å; N35-R39 PolarHBondContact OD1-NH2 3.2Å; M36-R39 PolarHBondContact O-N 3.25Å; R37-R39 VanDerWaalsContact C-N 3.35Å; R37-R39 PolarHBondContact O-N 2.98Å; R39-E42 WeakPolarHBondContact O-CB 3.48Å; R39-E42 PolarHBondContact O-N 3.15Å; R39-I43 WeakPolarHBondContact O-CG1 3.37Å; R39-I43 PolarHBondContact O-N 3.27Å; R39-I43 VanDerWaalsContact O-N 3.09Å
40	R	90	Very high	90.6	Very high	31 Å²	31	66.4 Å²	66.4	12%	0.117	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-46.9	176.5	-170	-179.7	-55.5	-81.2	-0.9	111.8	M36 R37 Q38 E42 I43 D44 A53 S55 D359 Q535	M36-R40 PolarHBondContact O-N 3.17Å; M36-R40 VanDerWaalsContact O-N 3.08Å; R37-R40 PolarHBondContact O-N 3.15Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.3Å; R40-E42 VanDerWaalsContact C-N 3.27Å; R40-E42 PolarHBondContact O-N 3.3Å; R40-I43 WeakPolarHBondContact O-CB 3.44Å; R40-I43 PolarHBondContact O-N 3.39Å; R40-I43 VanDerWaalsContact O-N 3.09Å; R40-D44 VanDerWaalsContact O-CG 3.29Å; R40-D44 PolarHBondContact O-N 3.49Å; R40-A53 PolarHBondContact NH1-O 3.13Å; R40-S55 PolarHBondContact NH1-OG 3.43Å; R40-S55 PolarHBondContact NH2-OG 3.46Å; R40-D359 IonicContact CZ-OD1 3.14Å; R40-D359 IonicContact CZ-OD2 3.98Å; R40-D359 IonicContact NE-OD1 3.55Å; R40-D359 PolarHBondContact NE-OD1 3.18Å; R40-D359 IonicContact NE-OD2 3.95Å; R40-D359 PolarHBondContact NE-OD2 3.45Å; R40-D359 VanDerWaalsContact NE-OD2 3.08Å; R40-D359 IonicContact NH2-OD1 3.08Å; R40-D359 PolarHBondContact NH2-OD1 3.15Å; R40-D359 IonicContact NH2-OD2 3.7Å; R40-Q535 VanDerWaalsContact NH1-NE2 3.17Å
41	N	91.2	Very high	91.1	Very high	71 Å²	71	67.1 Å²	67.1	38%	0.38	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-35.4	177.2	-66.6	-16.6	0	0	0	112.3	R37 Q38 R45	R37-N41 WeakPolarHBondContact O-CB 3.17Å; R37-N41 PolarHBondContact O-N 3.14Å; R37-N41 PolarHBondContact O-ND2 2.71Å; R37-N41 PolarHBondContact O-OD1 3.03Å; Q38-N41 PolarHBondContact O-N 3.01Å; N41-R45 VanDerWaalsContact O-CG 3.23Å; N41-R45 WeakPolarHBondContact O-CG 3.28Å; N41-R45 PolarHBondContact O-N 3.42Å
42	E	92.3	Very high	91.3	Very high	99 Å²	99	68.1 Å²	68.1	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-41.3	173.9	-75.5	174.2	-174.5	0	0	111.9	Q38 R39 R40	Q38-E42 WeakPolarHBondContact O-CG 3.29Å; Q38-E42 PolarHBondContact O-N 3.25Å; R39-E42 WeakPolarHBondContact O-CB 3.48Å; R39-E42 PolarHBondContact O-N 3.15Å; R40-E42 VanDerWaalsContact C-N 3.27Å; R40-E42 PolarHBondContact O-N 3.3Å
43	I	90.7	Very high	91.5	Very high	26 Å²	26	68.7 Å²	68.7	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-51	174	-59.2	163.5	0	0	0	110	F17 R39 R40 R45 L46 L47 A53	F17-I43 HydrophobicContact CD2-CD1 3.73Å; F17-I43 HydrophobicContact CD2-CG1 4.17Å; F17-I43 HydrophobicContact CE2-CD1 3.24Å; F17-I43 HydrophobicContact CE2-CG1 3.23Å; F17-I43 HydrophobicContact CZ-CD1 4.06Å; F17-I43 HydrophobicContact CZ-CG1 3.53Å; R39-I43 WeakPolarHBondContact O-CG1 3.37Å; R39-I43 PolarHBondContact O-N 3.27Å; R39-I43 VanDerWaalsContact O-N 3.09Å; R40-I43 WeakPolarHBondContact O-CB 3.44Å; R40-I43 PolarHBondContact O-N 3.39Å; R40-I43 VanDerWaalsContact O-N 3.09Å; I43-R45 PolarHBondContact O-N 3.26Å; I43-R45 VanDerWaalsContact O-N 3.11Å; I43-L46 WeakPolarHBondContact O-CA 3.12Å; I43-L46 WeakPolarHBondContact O-CB 3.33Å; I43-L46 PolarHBondContact O-N 3.14Å; I43-L47 HydrophobicContact CG2-CD1 3.85Å; I43-L47 HydrophobicContact CG2-CD2 4.25Å; I43-L47 HydrophobicContact CG2-CG 3.92Å; I43-L47 WeakPolarHBondContact O-CG 3.16Å; I43-L47 PolarHBondContact O-N 2.75Å; I43-A53 HydrophobicContact CB-CB 4.26Å; I43-A53 HydrophobicContact CD1-CB 4.24Å; I43-A53 HydrophobicContact CG2-CB 3.69Å
44	D	90	Very high	91.6	Very high	63 Å²	63	70.9 Å²	70.9	34%	0.337	37%	0.372	S	S	.	.	H	α-helix	trans	-59.4	-28.7	-175.1	-67.4	-20.2	0	0	0	112	R40 L46	R40-D44 VanDerWaalsContact O-CG 3.29Å; R40-D44 PolarHBondContact O-N 3.49Å; D44-L46 VanDerWaalsContact C-N 3.27Å; D44-L46 PolarHBondContact O-N 3.19Å
45	R	93.1	Very high	91.8	Very high	198 Å²	198	69 Å²	69	75%	0.747	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.5	173.1	-73.6	167.9	-175.1	170.4	1.3	114.3	N41 I43	N41-R45 VanDerWaalsContact O-CG 3.23Å; N41-R45 WeakPolarHBondContact O-CG 3.28Å; N41-R45 PolarHBondContact O-N 3.42Å; I43-R45 PolarHBondContact O-N 3.26Å; I43-R45 VanDerWaalsContact O-N 3.11Å
46	L	94.3	Very high	92	Very high	151 Å²	151	68.1 Å²	68.1	79%	0.791	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-11.2	-178.6	-61.9	175.8	0	0	0	112.9	I43 D44	I43-L46 WeakPolarHBondContact O-CA 3.12Å; I43-L46 WeakPolarHBondContact O-CB 3.33Å; I43-L46 PolarHBondContact O-N 3.14Å; D44-L46 VanDerWaalsContact C-N 3.27Å; D44-L46 PolarHBondContact O-N 3.19Å
47	L	92.9	Very high	92.2	Very high	54 Å²	54	67.2 Å²	67.2	28%	0.283	35%	0.352	S	S	.	.	S	Bend	trans	-83.5	150.6	-178.4	-69.5	-175.6	0	0	0	111.9	I43 E51 A53	I43-L47 HydrophobicContact CG2-CD1 3.85Å; I43-L47 HydrophobicContact CG2-CD2 4.25Å; I43-L47 HydrophobicContact CG2-CG 3.92Å; I43-L47 WeakPolarHBondContact O-CG 3.16Å; I43-L47 PolarHBondContact O-N 2.75Å; L47-E51 HydrophobicContact CB-CB 3.88Å; L47-E51 HydrophobicContact CD1-CB 4.36Å; L47-E51 HydrophobicContact CD2-CB 4.08Å; L47-E51 HydrophobicContact CG-CB 4.31Å; L47-A53 HydrophobicContact CD1-CB 4.09Å
48	G	92.6	Very high	92.4	Very high	39 Å²	39	64.7 Å²	64.7	40%	0.402	34%	0.343	S	S	.	.			trans	-67.8	169.1	169.4	0	0	0	0	0	112.8	D50 E51	G48-D50 PolarHBondContact O-N 2.79Å; G48-D50 VanDerWaalsContact O-N 3.15Å; G48-E51 PolarHBondContact N-OE2 2.79Å; G48-E51 PolarHBondContact O-N 3.17Å
49	A	90	Very high	92.7	Very high	107 Å²	107	61.2 Å²	61.2	88%	0.884	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.9	-177.9	0	0	0	0	0	114.1
50	D	89.5	Confident	93.1	Very high	137 Å²	137	59 Å²	59	73%	0.733	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	14	-179.3	-56.9	-53	0	0	0	112.7	G48	G48-D50 PolarHBondContact O-N 2.79Å; G48-D50 VanDerWaalsContact O-N 3.15Å
51	E	92.7	Very high	93.4	Very high	75 Å²	75	59.6 Å²	59.6	35%	0.35	32%	0.321	S	S	.	.			trans	-114.2	135.4	179.7	-66.2	-177.4	146.4	0	0	110.4	L47 G48	L47-E51 HydrophobicContact CB-CB 3.88Å; L47-E51 HydrophobicContact CD1-CB 4.36Å; L47-E51 HydrophobicContact CD2-CB 4.08Å; L47-E51 HydrophobicContact CG-CB 4.31Å; G48-E51 PolarHBondContact N-OE2 2.79Å; G48-E51 PolarHBondContact O-N 3.17Å
52	V	93.6	Very high	93.7	Very high	75 Å²	75	56.2 Å²	56.2	46%	0.455	30%	0.303	S	S	.	.			trans	-134.8	142	178.4	-63.6	0	0	0	0	111.6	M54	V52-M54 HydrophobicContact CG2-CG 4.03Å; V52-M54 HydrophobicContact CG2-SD 4.18Å
53	A	92.6	Very high	93.8	Very high	17 Å²	17	51.9 Å²	51.9	14%	0.14	28%	0.284	C	S	.	.			trans	-88.7	116.3	171.9	0	0	0	0	0	110.5	R40 I43 L47 Q535	R40-A53 PolarHBondContact NH1-O 3.13Å; I43-A53 HydrophobicContact CB-CB 4.26Å; I43-A53 HydrophobicContact CD1-CB 4.24Å; I43-A53 HydrophobicContact CG2-CB 3.69Å; L47-A53 HydrophobicContact CD1-CB 4.09Å; A53-Q535 PolarHBondContact O-NE2 2.84Å
54	M	94.6	Very high	94.1	Very high	47 Å²	47	51.7 Å²	51.7	23%	0.232	29%	0.285	C	S	.	.			trans	-117.1	141.6	179.4	-66.4	-178.3	71.6	0	0	112.2	V52 F56 L528 M531 H532	V52-M54 HydrophobicContact CG2-CG 4.03Å; V52-M54 HydrophobicContact CG2-SD 4.18Å; M54-F56 HydrophobicContact CB-CD1 3.91Å; M54-F56 HydrophobicContact CB-CE1 3.61Å; M54-F56 HydrophobicContact CE-CD1 4.47Å; M54-F56 HydrophobicContact CE-CE1 4.09Å; M54-F56 HydrophobicContact SD-CE1 4.35Å; M54-L528 HydrophobicContact CE-CB 4.39Å; M54-L528 HydrophobicContact CE-CD2 3.97Å; M54-L528 VanDerWaalsContact CE-O 3.28Å; M54-L528 WeakPolarHBondContact CE-O 3.41Å; M54-L528 HydrophobicContact SD-CB 4.35Å; M54-L528 HydrophobicContact SD-CD2 4.24Å; M54-M531 HydrophobicContact CE-CB 3.46Å; M54-M531 VanDerWaalsContact CE-CB 3.46Å; M54-M531 HydrophobicContact CE-CE 4.29Å; M54-H532 HydrophobicContact CE-CB 4.23Å; M54-H532 HydrophobicContact SD-CB 4.24Å
55	S	94.1	Very high	94.2	Very high	8 Å²	8	52.6 Å²	52.6	6%	0.056	30%	0.301	C	S	.	.			trans	-110.4	104.7	-179.9	40.7	0	0	0	0	111.9	R40 Q356 L357 Q535	R40-S55 PolarHBondContact NH1-OG 3.43Å; R40-S55 PolarHBondContact NH2-OG 3.46Å; S55-Q356 CarbonylContact C-O 3.57Å; S55-Q356 WeakPolarHBondContact CB-O 3.38Å; S55-Q356 CarbonylContact O-C 3.44Å; S55-Q356 PolarHBondContact OG-O 2.61Å; S55-L357 WeakPolarHBondContact O-CA 3.2Å; S55-L357 PolarHBondContact O-N 3.44Å; S55-L357 PolarHBondContact OG-O 3.22Å; S55-Q535 PolarHBondContact OG-OE1 2.91Å
56	F	95.4	Very high	93.9	Very high	17 Å²	17	48.7 Å²	48.7	8%	0.075	30%	0.295	C	S	.	.	S	Bend	trans	-162.7	171.3	173.5	59.5	-75.1	0	0	0	110	M54 N58 P60 C164 L355 L499 L528 M531	M54-F56 HydrophobicContact CB-CD1 3.91Å; M54-F56 HydrophobicContact CB-CE1 3.61Å; M54-F56 HydrophobicContact CE-CD1 4.47Å; M54-F56 HydrophobicContact CE-CE1 4.09Å; M54-F56 HydrophobicContact SD-CE1 4.35Å; F56-N58 WeakPolarHBondContact CD2-O 3.5Å; F56-N58 WeakPolarHBondContact CE2-O 3.39Å; F56-P60 HydrophobicContact CE2-CG 4.39Å; F56-C164 WeakPolarHBondContact O-CB 3.21Å; F56-L355 WeakPolarHBondContact CA-O 3.42Å; F56-L499 HydrophobicContact CB-CD2 3.7Å; F56-L528 HydrophobicContact CE1-CD2 4.05Å; F56-L528 HydrophobicContact CE2-CD2 4.11Å; F56-L528 HydrophobicContact CZ-CD2 3.48Å; F56-L528 VanDerWaalsContact CZ-CD2 3.48Å; F56-M531 HydrophobicContact CB-CE 3.97Å; F56-M531 HydrophobicContact CD1-CE 3.86Å; F56-M531 HydrophobicContact CD2-CE 3.87Å; F56-M531 HydrophobicContact CE1-CE 4.32Å; F56-M531 HydrophobicContact CE2-CE 4.28Å; F56-M531 HydrophobicContact CG-CE 3.65Å
57	G	95.3	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-63.9	-43.2	-167.1	0	0	0	0	0	116.8	C163 C164 S205 T206	G57-C163 CarbonylContact O-C 3.55Å; G57-C163 WeakPolarHBondContact O-CA 3.42Å; G57-C163 WeakPolarHBondContact O-CB 3.47Å; G57-C164 PolarHBondContact O-N 2.96Å; G57-S205 VanDerWaalsContact CA-OG 3.23Å; G57-S205 WeakPolarHBondContact CA-OG 3.49Å; G57-S205 PolarHBondContact N-OG 3.24Å; G57-S205 VanDerWaalsContact N-OG 3.16Å; G57-T206 WeakPolarHBondContact CA-OG1 3.48Å
58	N	95.2	Very high	93.7	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	25%	0.251	C	S	.	.			trans	-153.4	143.3	-176.9	-179.5	48	0	0	0	112.3	F56 T206 I208	F56-N58 WeakPolarHBondContact CD2-O 3.5Å; F56-N58 WeakPolarHBondContact CE2-O 3.39Å; N58-T206 HydrophobicContact CB-CG2 3.37Å; N58-I208 PolarHBondContact ND2-O 2.87Å
59	F	96.9	Very high	93.5	Very high	18 Å²	18	44 Å²	44	8%	0.079	25%	0.253	C	S	.	.			trans	-66.8	121.6	170.3	-176.5	-104.8	0	0	0	110.4	F12 R61 L62 F67 L528	F12-F59 HydrophobicContact CB-CG 4.31Å; F12-F59 HydrophobicContact CD2-CB 3.73Å; F12-F59 HydrophobicContact CD2-CD2 4.34Å; F12-F59 HydrophobicContact CD2-CG 4.15Å; F12-F59 HydrophobicContact CE2-CB 4.09Å; F12-F59 HydrophobicContact CG-CB 4.18Å; F12-F59 HydrophobicContact CG-CG 4.39Å; F59-R61 VanDerWaalsContact C-N 3.3Å; F59-R61 HydrophobicContact CE1-CB 3.87Å; F59-R61 HydrophobicContact CZ-CB 4.48Å; F59-R61 PolarHBondContact O-N 3.32Å; F59-L62 HydrophobicContact CB-CB 4.36Å; F59-L62 HydrophobicContact CB-CD1 4.46Å; F59-L62 HydrophobicContact CD1-CB 4.17Å; F59-L62 VanDerWaalsContact CD1-N 3.32Å; F59-L62 WeakPolarHBondContact O-CB 3.16Å; F59-L62 PolarHBondContact O-N 3.35Å; F59-L62 VanDerWaalsContact O-N 3.15Å; F59-F67 HydrophobicContact CE1-CB 3.99Å; F59-L528 HydrophobicContact CD2-CD1 4.32Å; F59-L528 HydrophobicContact CE2-CD1 3.68Å
60	P	97.8	Very high	93.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-33.5	-164.6	-22.8	35.1	0	0	0	113.5	F56 I208 R210 G211 M503 M527	F56-P60 HydrophobicContact CE2-CG 4.39Å; P60-I208 HydrophobicContact CB-CB 3.94Å; P60-I208 HydrophobicContact CB-CD1 4.15Å; P60-I208 HydrophobicContact CB-CG2 3.62Å; P60-I208 WeakPolarHBondContact O-CG2 3.3Å; P60-R210 PolarHBondContact O-N 3.28Å; P60-G211 PolarHBondContact O-N 2.79Å; P60-M503 HydrophobicContact CG-CE 4.15Å; P60-M527 HydrophobicContact CB-CE 4.06Å; P60-M527 HydrophobicContact CG-CE 3.48Å; P60-M527 VanDerWaalsContact CG-CE 3.48Å
61	R	97.4	Very high	93.6	Very high	43 Å²	43	40.3 Å²	40.3	16%	0.162	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	25.1	-178.6	-69	-174.3	61.4	75.2	3	113.1	F59 G63 C64 F67 V519 D521 C524	F59-R61 VanDerWaalsContact C-N 3.3Å; F59-R61 HydrophobicContact CE1-CB 3.87Å; F59-R61 HydrophobicContact CZ-CB 4.48Å; F59-R61 PolarHBondContact O-N 3.32Å; R61-G63 PolarHBondContact O-N 2.92Å; R61-C64 HydrophobicContact CB-CB 4.08Å; R61-C64 VanDerWaalsContact O-CB 3.28Å; R61-C64 WeakPolarHBondContact O-CB 3.24Å; R61-C64 PolarHBondContact O-N 2.98Å; R61-F67 WeakPolarHBondContact O-CB 3.43Å; R61-V519 PolarHBondContact NH1-O 3.37Å; R61-D521 IonicContact NE-OD1 3.6Å; R61-C524 VanDerWaalsContact CD-CB 3.47Å; R61-C524 HydrophobicContact CG-CB 3.94Å
62	L	96.1	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	127.3	177.7	-169.1	73.9	0	0	0	109.4	F12 F59 C64 F67 F86 G158 F159 R210	F12-L62 HydrophobicContact CD1-CD1 4.03Å; F12-L62 HydrophobicContact CE1-CD1 4.33Å; F59-L62 HydrophobicContact CB-CB 4.36Å; F59-L62 HydrophobicContact CB-CD1 4.46Å; F59-L62 HydrophobicContact CD1-CB 4.17Å; F59-L62 VanDerWaalsContact CD1-N 3.32Å; F59-L62 WeakPolarHBondContact O-CB 3.16Å; F59-L62 PolarHBondContact O-N 3.35Å; F59-L62 VanDerWaalsContact O-N 3.15Å; L62-C64 VanDerWaalsContact C-N 3.32Å; L62-C64 PolarHBondContact O-N 2.6Å; L62-F67 HydrophobicContact CD1-CD2 3.68Å; L62-F67 HydrophobicContact CD1-CE2 3.35Å; L62-F67 HydrophobicContact CD1-CZ 4.24Å; L62-F67 HydrophobicContact CG-CE2 4.2Å; L62-F86 HydrophobicContact CD1-CE2 4.06Å; L62-F86 HydrophobicContact CD2-CE2 4.31Å; L62-F86 HydrophobicContact CG-CD2 4.45Å; L62-F86 HydrophobicContact CG-CE2 4.18Å; L62-G158 WeakPolarHBondContact CD2-O 3.43Å; L62-F159 HydrophobicContact CD2-CD1 4.14Å; L62-F159 HydrophobicContact CG-CD1 4.42Å; L62-F159 VanDerWaalsContact O-CE1 3.24Å; L62-F159 WeakPolarHBondContact O-CE1 3.32Å; L62-R210 VanDerWaalsContact O-CA 3.3Å; L62-R210 WeakPolarHBondContact O-CA 3.34Å; L62-R210 WeakPolarHBondContact O-CG 3.26Å
63	G	96.1	Very high	93.6	Very high	7 Å²	7	43.8 Å²	43.8	7%	0.072	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	2.6	-176.2	0	0	0	0	0	115.9	R61 F85	R61-G63 PolarHBondContact O-N 2.92Å; G63-F85 WeakPolarHBondContact CA-O 3.41Å
64	C	96.2	Very high	93.7	Very high	23 Å²	23	45.9 Å²	45.9	16%	0.155	25%	0.25	C	S	.	.	S	Bend	trans	-78.6	166.2	165.4	-61.8	0	0	0	0	110.8	R61 L62 D66 F67 R210	R61-C64 HydrophobicContact CB-CB 4.08Å; R61-C64 VanDerWaalsContact O-CB 3.28Å; R61-C64 WeakPolarHBondContact O-CB 3.24Å; R61-C64 PolarHBondContact O-N 2.98Å; L62-C64 VanDerWaalsContact C-N 3.32Å; L62-C64 PolarHBondContact O-N 2.6Å; C64-D66 PolarHBondContact O-N 3.3Å; C64-F67 WeakPolarHBondContact O-CD1 3.35Å; C64-F67 PolarHBondContact O-N 2.73Å; C64-R210 PolarHBondContact SG-O 3.31Å; C64-R210 VanDerWaalsContact SG-O 3.33Å
65	A	91.1	Very high	93.7	Very high	81 Å²	81	45.5 Å²	45.5	67%	0.669	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	139.1	173.1	0	0	0	0	0	111.9	F67	A65-F67 VanDerWaalsContact C-N 3.25Å; A65-F67 PolarHBondContact O-N 3.45Å; A65-F67 VanDerWaalsContact O-N 3.17Å
66	D	88.5	Confident	93.8	Very high	117 Å²	117	46.3 Å²	46.3	63%	0.626	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	25.3	174.7	-52.5	-34.1	0	0	0	116.4	C64 C68 P71	C64-D66 PolarHBondContact O-N 3.3Å; D66-C68 PolarHBondContact O-N 2.94Å; D66-P71 WeakPolarHBondContact OD1-CB 3.4Å
67	F	92.7	Very high	93.8	Very high	13 Å²	13	52 Å²	52	6%	0.057	28%	0.277	C	S	.	.			trans	-70.2	-9.8	177.8	84.7	-86.3	0	0	0	115	F59 R61 L62 C64 A65 F86 P87 A90	F59-F67 HydrophobicContact CE1-CB 3.99Å; R61-F67 WeakPolarHBondContact O-CB 3.43Å; L62-F67 HydrophobicContact CD1-CD2 3.68Å; L62-F67 HydrophobicContact CD1-CE2 3.35Å; L62-F67 HydrophobicContact CD1-CZ 4.24Å; L62-F67 HydrophobicContact CG-CE2 4.2Å; C64-F67 WeakPolarHBondContact O-CD1 3.35Å; C64-F67 PolarHBondContact O-N 2.73Å; A65-F67 VanDerWaalsContact C-N 3.25Å; A65-F67 PolarHBondContact O-N 3.45Å; A65-F67 VanDerWaalsContact O-N 3.17Å; F67-F86 HydrophobicContact CE2-CE2 4.21Å; F67-F86 AromaticContact CZ-CD2 3.87Å; F67-F86 HydrophobicContact CZ-CD2 3.87Å; F67-F86 AromaticContact CZ-CE2 3.95Å; F67-F86 HydrophobicContact CZ-CE2 3.95Å; F67-F86 HydrophobicContact CZ-CG 4.41Å; F67-P87 HydrophobicContact CE1-CG 4.01Å; F67-P87 HydrophobicContact CZ-CG 4.23Å; F67-A90 HydrophobicContact CE2-CB 4.19Å; F67-A90 HydrophobicContact CZ-CB 3.94Å
68	C	90.2	Very high	93.7	Very high	12 Å²	12	58.3 Å²	58.3	8%	0.081	31%	0.307	C	S	.	.	S	Bend	trans	-112	154.8	178.3	-61.8	0	0	0	0	111.2	D66 P70 P71 A72 A90	D66-C68 PolarHBondContact O-N 2.94Å; C68-P70 CarbonylContact C-O 3.32Å; C68-P70 CarbonylContact O-C 3.15Å; C68-P71 WeakPolarHBondContact O-CA 3.26Å; C68-A72 HydrophobicContact CB-CB 4.44Å; C68-A90 VanDerWaalsContact SG-CB 3.58Å
69	W	87.1	Confident	93.6	Very high	121 Å²	121	59.7 Å²	59.7	46%	0.458	32%	0.323	S	S	.	.	S	Bend	trans	-124.5	129.4	169.1	-173.9	-107.5	0	0	0	111.8	Q9 P71	Q9-W69 HydrophobicContact CG-CH2 4.16Å; Q9-W69 HydrophobicContact CG-CZ3 4.23Å; W69-P71 HydrophobicContact CE3-CG 4.43Å; W69-P71 HydrophobicContact CZ3-CG 4.5Å
70	P	90.6	Very high	93.6	Very high	96 Å²	96	62.1 Å²	62.1	62%	0.623	33%	0.333	S	S	*	.	S	Bend	cis	-59.2	158.9	-12.2	28.6	-35.8	0	0	0	111.4	C68 A72	C68-P70 CarbonylContact C-O 3.32Å; C68-P70 CarbonylContact O-C 3.15Å; P70-A72 PolarHBondContact O-N 3.37Å
71	P	91.5	Very high	93.5	Very high	70 Å²	70	62.3 Å²	62.3	46%	0.455	34%	0.335	S	S	.	.			trans	-53	132.3	175.8	-27.8	36.4	0	0	0	111.1	D66 C68 W69	D66-P71 WeakPolarHBondContact OD1-CB 3.4Å; C68-P71 WeakPolarHBondContact O-CA 3.26Å; W69-P71 HydrophobicContact CE3-CG 4.43Å; W69-P71 HydrophobicContact CZ3-CG 4.5Å
72	A	92.7	Very high	93.5	Very high	33 Å²	33	65.4 Å²	65.4	27%	0.273	35%	0.347	S	S	.	.			trans	-116.8	136.3	-175.5	0	0	0	0	0	110.9	C68 P70 P87 A89	C68-A72 HydrophobicContact CB-CB 4.44Å; P70-A72 PolarHBondContact O-N 3.37Å; A72-P87 HydrophobicContact CB-CB 3.74Å; A72-P87 HydrophobicContact CB-CG 3.7Å; A72-A89 HydrophobicContact CB-CB 3.74Å
73	K	93	Very high	93.6	Very high	189 Å²	189	65.5 Å²	65.5	82%	0.822	35%	0.347	S	S	*	.			trans	-80.4	141.3	178	-65.7	-174.7	179.1	-178.5	0	110.9	P87	K73-P87 VanDerWaalsContact O-CB 3.26Å; K73-P87 WeakPolarHBondContact O-CB 3.35Å
74	I	94.7	Very high	93.6	Very high	62 Å²	62	65.2 Å²	65.2	32%	0.318	35%	0.345	S	S	.	.			trans	-69.5	149.5	169.5	59.4	171.3	0	0	0	110.8	L84 F136	I74-L84 WeakPolarHBondContact CD1-O 3.4Å; I74-F136 HydrophobicContact CD1-CD1 4.08Å; I74-F136 HydrophobicContact CD1-CE1 3.63Å
75	T	95.2	Very high	93.7	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.239	34%	0.342	C	S	.	.			trans	-127	69.1	178.2	52.6	0	0	0	0	110.1	Y77 E78 R82	T75-Y77 PolarHBondContact O-N 2.8Å; T75-Y77 VanDerWaalsContact O-N 3.07Å; T75-E78 HydrophobicContact CG2-CG 4.29Å; T75-E78 PolarHBondContact O-N 3.45Å; T75-E78 PolarHBondContact OG1-O 3.33Å; T75-R82 WeakPolarHBondContact O-CA 3.48Å
76	P	96	Very high	94	Very high	25 Å²	25	61.9 Å²	61.9	16%	0.162	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.9	-171	26	-35	0	0	0	114.5	L84 A139	P76-L84 HydrophobicContact CB-CD2 3.88Å; P76-A139 HydrophobicContact CB-CB 3.72Å; P76-A139 HydrophobicContact CG-CB 4.37Å
77	Y	95	Very high	94.3	Very high	136 Å²	136	56.4 Å²	56.4	53%	0.533	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-16.9	-179.5	-60.2	-78.1	0	0	0	113.8	T75 F136 P138 A139	T75-Y77 PolarHBondContact O-N 2.8Å; T75-Y77 VanDerWaalsContact O-N 3.07Å; Y77-F136 PolarHBondContact OH-O 3.36Å; Y77-P138 WeakPolarHBondContact OH-CD 3.21Å; Y77-A139 HydrophobicContact CD1-CB 4.34Å; Y77-A139 HydrophobicContact CE1-CB 3.68Å; Y77-A139 HydrophobicContact CE2-CB 4.13Å; Y77-A139 PolarHBondContact OH-N 2.85Å
78	E	94.3	Very high	94.5	Very high	132 Å²	132	56.9 Å²	56.9	62%	0.617	29%	0.286	S	S	*	.	S	Bend	trans	-143.1	172.2	-172.1	67.7	179.7	174	0	0	112.9	T75	T75-E78 HydrophobicContact CG2-CG 4.29Å; T75-E78 PolarHBondContact O-N 3.45Å; T75-E78 PolarHBondContact OG1-O 3.33Å
79	G	93.3	Very high	94.6	Very high	37 Å²	37	60.2 Å²	60.2	38%	0.381	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-160.9	-178.8	0	0	0	0	0	114.6	D88 R106	G79-D88 WeakPolarHBondContact CA-OD2 3.44Å; G79-R106 PolarHBondContact O-NH2 2.95Å
80	F	95.8	Very high	94.9	Very high	68 Å²	68	56.1 Å²	56.1	30%	0.298	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-58.5	-167.5	-50.1	-71.8	0	0	0	111.5	D88 I91 V99 T102 R103 R106	F80-D88 HydrophobicContact CD2-CB 4.1Å; F80-D88 WeakPolarHBondContact CD2-OD2 3.28Å; F80-D88 PolarHBondContact N-OD2 3.02Å; F80-I91 HydrophobicContact CB-CD1 4.2Å; F80-V99 HydrophobicContact CD1-CB 3.88Å; F80-V99 HydrophobicContact CD2-CB 3.88Å; F80-V99 HydrophobicContact CD2-CG1 3.82Å; F80-V99 HydrophobicContact CE1-CB 3.93Å; F80-V99 HydrophobicContact CE1-CG2 4.25Å; F80-V99 HydrophobicContact CE2-CB 3.93Å; F80-V99 HydrophobicContact CE2-CG1 3.81Å; F80-V99 HydrophobicContact CG-CB 3.85Å; F80-V99 HydrophobicContact CG-CG1 4.28Å; F80-V99 HydrophobicContact CZ-CB 3.96Å; F80-V99 HydrophobicContact CZ-CG1 4.27Å; F80-V99 HydrophobicContact CZ-CG2 4.24Å; F80-T102 HydrophobicContact CB-CG2 4.4Å; F80-R103 HydrophobicContact CB-CB 4.4Å; F80-R103 HydrophobicContact CD1-CB 4.23Å; F80-R106 VanDerWaalsContact O-CZ 3.28Å; F80-R106 PolarHBondContact O-NE 3.26Å; F80-R106 PolarHBondContact O-NH2 2.94Å
81	A	96.4	Very high	95.1	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-37.3	-175.7	0	0	0	0	0	113	S83 D88 I91 T102 R106	A81-S83 PolarHBondContact O-N 2.87Å; A81-D88 VanDerWaalsContact CB-OD1 3.26Å; A81-D88 WeakPolarHBondContact CB-OD1 3.46Å; A81-D88 PolarHBondContact N-OD1 2.55Å; A81-I91 HydrophobicContact CB-CD1 4.47Å; A81-T102 HydrophobicContact CB-CG2 3.78Å; A81-R106 WeakPolarHBondContact O-CD 3.48Å
82	R	96.8	Very high	95.1	Very high	108 Å²	108	56 Å²	56	41%	0.408	29%	0.286	S	S	.	.			trans	53.2	27.8	-170.4	-61.2	-174.2	-178.3	-172.1	-4.7	113.7	T75 K112	T75-R82 WeakPolarHBondContact O-CA 3.48Å; R82-K112 WeakPolarHBondContact O-CD 3.28Å; R82-K112 PolarHBondContact O-NZ 3.13Å
83	S	97.8	Very high	94.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	31%	0.31	C	S	.	.			trans	-74	148.7	-175.9	171.8	0	0	0	0	111.5	A81 F85 F86 D155	A81-S83 PolarHBondContact O-N 2.87Å; S83-F85 PolarHBondContact OG-N 3.29Å; S83-F86 WeakPolarHBondContact CB-O 3.47Å; S83-F86 WeakPolarHBondContact OG-CB 3.27Å; S83-F86 PolarHBondContact OG-N 3.41Å; S83-D155 WeakPolarHBondContact CA-OD2 3.44Å; S83-D155 WeakPolarHBondContact CB-OD1 3.16Å; S83-D155 PolarHBondContact OG-OD1 2.7Å
84	L	97.4	Very high	94.6	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	30%	0.299	C	S	.	.	S	Bend	trans	-72.3	-18.1	170.4	-60.8	-174	0	0	0	113.1	I74 P76 Y133 F136 A139 A143 D155	I74-L84 WeakPolarHBondContact CD1-O 3.4Å; P76-L84 HydrophobicContact CB-CD2 3.88Å; L84-Y133 HydrophobicContact CD1-CD1 4.29Å; L84-F136 HydrophobicContact CB-CD1 4.35Å; L84-F136 HydrophobicContact CB-CD2 4.38Å; L84-F136 HydrophobicContact CB-CE1 4.23Å; L84-F136 HydrophobicContact CB-CE2 4.26Å; L84-F136 HydrophobicContact CB-CG 4.43Å; L84-F136 HydrophobicContact CB-CZ 4.18Å; L84-F136 HydrophobicContact CD1-CD2 3.86Å; L84-F136 HydrophobicContact CD1-CE2 4.28Å; L84-F136 HydrophobicContact CD1-CG 4.2Å; L84-F136 HydrophobicContact CD2-CB 3.82Å; L84-F136 HydrophobicContact CD2-CD1 4.01Å; L84-F136 HydrophobicContact CD2-CD2 4.29Å; L84-F136 HydrophobicContact CD2-CG 3.78Å; L84-F136 HydrophobicContact CG-CD2 4.4Å; L84-F136 HydrophobicContact CG-CG 4.35Å; L84-F136 WeakPolarHBondContact O-CE1 3.39Å; L84-A139 HydrophobicContact CD2-CB 3.95Å; L84-A143 HydrophobicContact CD1-CB 3.49Å; L84-A143 VanDerWaalsContact CD1-CB 3.49Å; L84-D155 PolarHBondContact N-OD1 3.43Å; L84-D155 PolarHBondContact N-OD2 3.38Å
85	F	97.2	Very high	94.3	Very high	24 Å²	24	53.3 Å²	53.3	11%	0.105	30%	0.301	C	S	.	.	S	Bend	trans	-129.7	-31.3	-167.2	-47.7	-62.7	0	0	0	113	G63 S83 Y133 F136 Y153 D155 F159	G63-F85 WeakPolarHBondContact CA-O 3.41Å; S83-F85 PolarHBondContact OG-N 3.29Å; F85-Y133 HydrophobicContact CE1-CE1 4.44Å; F85-Y133 HydrophobicContact CZ-CD1 4.03Å; F85-Y133 AromaticContact CZ-CE1 3.7Å; F85-Y133 HydrophobicContact CZ-CE1 3.7Å; F85-F136 HydrophobicContact CD1-CZ 4.32Å; F85-F136 AromaticContact CE1-CE2 3.92Å; F85-F136 HydrophobicContact CE1-CE2 3.92Å; F85-F136 AromaticContact CE1-CZ 3.9Å; F85-F136 HydrophobicContact CE1-CZ 3.9Å; F85-F136 HydrophobicContact CZ-CE2 4.49Å; F85-Y153 AromaticContact CE2-CD1 3.9Å; F85-Y153 HydrophobicContact CE2-CD1 3.9Å; F85-Y153 HydrophobicContact CE2-CE1 4.26Å; F85-Y153 HydrophobicContact CZ-CD1 4.39Å; F85-D155 WeakPolarHBondContact CD2-OD1 3.16Å; F85-F159 HydrophobicContact CB-CE2 3.99Å; F85-F159 HydrophobicContact CB-CZ 3.61Å; F85-F159 HydrophobicContact CD2-CE2 4.25Å; F85-F159 HydrophobicContact CD2-CZ 4.23Å; F85-F159 HydrophobicContact CG-CZ 4.29Å
86	F	96.9	Very high	94.2	Very high	10 Å²	10	54.6 Å²	54.6	4%	0.044	31%	0.31	C	S	.	.			trans	-106.8	107.5	-172	-163.3	-80.5	0	0	0	110.8	L62 F67 S83 A90 I91 A156 F159	L62-F86 HydrophobicContact CD1-CE2 4.06Å; L62-F86 HydrophobicContact CD2-CE2 4.31Å; L62-F86 HydrophobicContact CG-CD2 4.45Å; L62-F86 HydrophobicContact CG-CE2 4.18Å; F67-F86 HydrophobicContact CE2-CE2 4.21Å; F67-F86 AromaticContact CZ-CD2 3.87Å; F67-F86 HydrophobicContact CZ-CD2 3.87Å; F67-F86 AromaticContact CZ-CE2 3.95Å; F67-F86 HydrophobicContact CZ-CE2 3.95Å; F67-F86 HydrophobicContact CZ-CG 4.41Å; S83-F86 WeakPolarHBondContact CB-O 3.47Å; S83-F86 WeakPolarHBondContact OG-CB 3.27Å; S83-F86 PolarHBondContact OG-N 3.41Å; F86-A90 HydrophobicContact CD1-CB 4.15Å; F86-A90 HydrophobicContact CE1-CB 3.43Å; F86-A90 VanDerWaalsContact CE1-CB 3.43Å; F86-A90 HydrophobicContact CE2-CB 4.2Å; F86-A90 HydrophobicContact CZ-CB 3.45Å; F86-A90 VanDerWaalsContact CZ-CB 3.45Å; F86-I91 HydrophobicContact CE1-CG1 3.93Å; F86-A156 HydrophobicContact CB-CB 3.6Å; F86-A156 HydrophobicContact CG-CB 4.09Å; F86-F159 HydrophobicContact CB-CE2 4.06Å
87	P	96.1	Very high	94	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.013	32%	0.319	C	S	.	.			trans	-70.5	144.6	178.9	30.6	-34.4	0	0	0	110.9	F67 A72 K73 A89 A90	F67-P87 HydrophobicContact CE1-CG 4.01Å; F67-P87 HydrophobicContact CZ-CG 4.23Å; A72-P87 HydrophobicContact CB-CB 3.74Å; A72-P87 HydrophobicContact CB-CG 3.7Å; K73-P87 VanDerWaalsContact O-CB 3.26Å; K73-P87 WeakPolarHBondContact O-CB 3.35Å; P87-A89 PolarHBondContact O-N 3.42Å; P87-A89 VanDerWaalsContact O-N 3.15Å; P87-A90 HydrophobicContact CG-CB 4.17Å; P87-A90 WeakPolarHBondContact O-CB 3.42Å; P87-A90 PolarHBondContact O-N 3.45Å
88	D	95.3	Very high	93.9	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.123	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.6	179	-81.1	-16.1	0	0	0	113.1	G79 F80 A81 A90 I91	G79-D88 WeakPolarHBondContact CA-OD2 3.44Å; F80-D88 HydrophobicContact CD2-CB 4.1Å; F80-D88 WeakPolarHBondContact CD2-OD2 3.28Å; F80-D88 PolarHBondContact N-OD2 3.02Å; A81-D88 VanDerWaalsContact CB-OD1 3.26Å; A81-D88 WeakPolarHBondContact CB-OD1 3.46Å; A81-D88 PolarHBondContact N-OD1 2.55Å; D88-A90 PolarHBondContact O-N 3.08Å; D88-I91 HydrophobicContact CB-CD1 4.4Å; D88-I91 VanDerWaalsContact O-CB 3.28Å; D88-I91 WeakPolarHBondContact O-CB 3.18Å; D88-I91 WeakPolarHBondContact O-CG1 3.46Å; D88-I91 PolarHBondContact O-N 2.86Å
89	A	93.5	Very high	94	Very high	82 Å²	82	50.2 Å²	50.2	68%	0.678	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-64.7	-17.6	175.7	0	0	0	0	0	113.6	A72 P87 I91	A72-A89 HydrophobicContact CB-CB 3.74Å; P87-A89 PolarHBondContact O-N 3.42Å; P87-A89 VanDerWaalsContact O-N 3.15Å; A89-I91 VanDerWaalsContact C-N 3.29Å
90	A	93.9	Very high	94.1	Very high	34 Å²	34	50 Å²	50	28%	0.281	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-81.3	-10	173.3	0	0	0	0	0	112.8	F67 C68 F86 P87 D88	F67-A90 HydrophobicContact CE2-CB 4.19Å; F67-A90 HydrophobicContact CZ-CB 3.94Å; C68-A90 VanDerWaalsContact SG-CB 3.58Å; F86-A90 HydrophobicContact CD1-CB 4.15Å; F86-A90 HydrophobicContact CE1-CB 3.43Å; F86-A90 VanDerWaalsContact CE1-CB 3.43Å; F86-A90 HydrophobicContact CE2-CB 4.2Å; F86-A90 HydrophobicContact CZ-CB 3.45Å; F86-A90 VanDerWaalsContact CZ-CB 3.45Å; P87-A90 HydrophobicContact CG-CB 4.17Å; P87-A90 WeakPolarHBondContact O-CB 3.42Å; P87-A90 PolarHBondContact O-N 3.45Å; D88-A90 PolarHBondContact O-N 3.08Å
91	I	94.6	Very high	94.1	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.082	27%	0.266	C	S	.	.	S	Bend	trans	-78	133.2	171.1	-52	171.3	0	0	0	107.9	F80 A81 F86 D88 A89 A93 F98 V99 T102	F80-I91 HydrophobicContact CB-CD1 4.2Å; A81-I91 HydrophobicContact CB-CD1 4.47Å; F86-I91 HydrophobicContact CE1-CG1 3.93Å; D88-I91 HydrophobicContact CB-CD1 4.4Å; D88-I91 VanDerWaalsContact O-CB 3.28Å; D88-I91 WeakPolarHBondContact O-CB 3.18Å; D88-I91 WeakPolarHBondContact O-CG1 3.46Å; D88-I91 PolarHBondContact O-N 2.86Å; A89-I91 VanDerWaalsContact C-N 3.29Å; I91-A93 PolarHBondContact O-N 3.42Å; I91-F98 HydrophobicContact CG2-CB 3.7Å; I91-V99 HydrophobicContact CB-CG1 4.14Å; I91-V99 HydrophobicContact CD1-CG1 4.49Å; I91-V99 HydrophobicContact CG2-CG1 3.68Å; I91-T102 HydrophobicContact CD1-CG2 3.97Å
92	Y	91.5	Very high	94.1	Very high	148 Å²	148	47.5 Å²	47.5	58%	0.58	27%	0.268	S	S	*	.			trans	-58.5	106.2	179.9	179.4	-107.4	0	0	0	111.5	G94 H95 F98	Y92-G94 VanDerWaalsContact C-N 3.33Å; Y92-H95 HydrophobicContact CD1-CB 4.24Å; Y92-H95 HydrophobicContact CE1-CB 3.96Å; Y92-F98 AromaticContact CD1-CD2 3.59Å; Y92-F98 HydrophobicContact CD1-CD2 3.59Å; Y92-F98 AromaticContact CD1-CE2 3.51Å; Y92-F98 HydrophobicContact CD1-CE2 3.51Å; Y92-F98 HydrophobicContact CE1-CE2 4.19Å; Y92-F98 HydrophobicContact CG-CD2 4.31Å; Y92-F98 HydrophobicContact CG-CE2 4.43Å
93	A	86.7	Confident	94.1	Very high	92 Å²	92	46.6 Å²	46.6	76%	0.76	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-12	-176.3	0	0	0	0	0	113.6	I91 H95	I91-A93 PolarHBondContact O-N 3.42Å; A93-H95 PolarHBondContact O-N 2.98Å; A93-H95 VanDerWaalsContact O-N 3.15Å
94	G	88.1	Confident	94.1	Very high	58 Å²	58	48.6 Å²	48.6	60%	0.598	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.1	-179.7	0	0	0	0	0	114.1	Y92	Y92-G94 VanDerWaalsContact C-N 3.33Å
95	H	88.9	Confident	94.2	Very high	78 Å²	78	48.6 Å²	48.6	36%	0.361	28%	0.275	S	S	.	.	S	Bend	trans	-147.9	128.4	175.1	-165.6	-80	0	0	0	111.5	Y92 A93 R97 F98 F306	Y92-H95 HydrophobicContact CD1-CB 4.24Å; Y92-H95 HydrophobicContact CE1-CB 3.96Å; A93-H95 PolarHBondContact O-N 2.98Å; A93-H95 VanDerWaalsContact O-N 3.15Å; H95-R97 WeakPolarHBondContact ND1-CB 3.48Å; H95-R97 PolarHBondContact ND1-N 3.26Å; H95-R97 PolarHBondContact O-N 3.46Å; H95-F98 HydrophobicContact CB-CD2 4.21Å; H95-F98 HydrophobicContact CB-CE2 4.04Å; H95-F98 PolarHBondContact O-N 3.46Å; H95-F306 AromaticContact CE1-CZ 3.83Å
96	P	92	Very high	94.2	Very high	65 Å²	65	49 Å²	49	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-16.8	-173.5	25.2	-35.5	0	0	0	113.9	F98 V99 N100 F306	P96-F98 VanDerWaalsContact C-N 3.32Å; P96-F98 PolarHBondContact O-N 2.83Å; P96-V99 WeakPolarHBondContact O-CG2 3.07Å; P96-N100 VanDerWaalsContact O-CB 3.28Å; P96-N100 WeakPolarHBondContact O-CB 3.47Å; P96-N100 VanDerWaalsContact O-CG 3.23Å; P96-N100 PolarHBondContact O-N 2.97Å; P96-N100 PolarHBondContact O-ND2 3.38Å; P96-F306 HydrophobicContact CG-CE1 3.93Å; P96-F306 HydrophobicContact CG-CZ 4.23Å
97	R	92.2	Very high	94.2	Very high	95 Å²	95	54.3 Å²	54.3	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-48.9	-48.2	175.7	172.3	162	-171.8	159	7.5	113.9	H95 N100 L101 Q304 S326	H95-R97 WeakPolarHBondContact ND1-CB 3.48Å; H95-R97 PolarHBondContact ND1-N 3.26Å; H95-R97 PolarHBondContact O-N 3.46Å; R97-N100 PolarHBondContact O-N 3.48Å; R97-L101 HydrophobicContact CG-CD1 3.8Å; R97-L101 HydrophobicContact CG-CG 4.31Å; R97-L101 WeakPolarHBondContact O-CB 3.47Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.41Å; R97-L101 PolarHBondContact O-N 3.21Å; R97-Q304 VanDerWaalsContact CB-OE1 3.28Å; R97-S326 PolarHBondContact NH2-OG 3.5Å
98	F	93.9	Very high	94.3	Very high	84 Å²	84	56.3 Å²	56.3	37%	0.368	31%	0.31	S	S	.	.	H	α-helix	trans	-74.6	-39.3	-169.6	-56.7	-74.9	0	0	0	112.4	I91 Y92 H95 P96 T102	I91-F98 HydrophobicContact CG2-CB 3.7Å; Y92-F98 AromaticContact CD1-CD2 3.59Å; Y92-F98 HydrophobicContact CD1-CD2 3.59Å; Y92-F98 AromaticContact CD1-CE2 3.51Å; Y92-F98 HydrophobicContact CD1-CE2 3.51Å; Y92-F98 HydrophobicContact CE1-CE2 4.19Å; Y92-F98 HydrophobicContact CG-CD2 4.31Å; Y92-F98 HydrophobicContact CG-CE2 4.43Å; H95-F98 HydrophobicContact CB-CD2 4.21Å; H95-F98 HydrophobicContact CB-CE2 4.04Å; H95-F98 PolarHBondContact O-N 3.46Å; P96-F98 VanDerWaalsContact C-N 3.32Å; P96-F98 PolarHBondContact O-N 2.83Å; F98-T102 WeakPolarHBondContact O-CB 3.36Å; F98-T102 PolarHBondContact O-N 2.98Å; F98-T102 VanDerWaalsContact O-N 3.08Å; F98-T102 PolarHBondContact O-OG1 3.41Å
99	V	95.2	Very high	94.4	Very high	22 Å²	22	55.9 Å²	55.9	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-39.3	173.1	-64.7	0	0	0	0	111.6	F80 I91 P96 T102 R103	F80-V99 HydrophobicContact CD1-CB 3.88Å; F80-V99 HydrophobicContact CD2-CB 3.88Å; F80-V99 HydrophobicContact CD2-CG1 3.82Å; F80-V99 HydrophobicContact CE1-CB 3.93Å; F80-V99 HydrophobicContact CE1-CG2 4.25Å; F80-V99 HydrophobicContact CE2-CB 3.93Å; F80-V99 HydrophobicContact CE2-CG1 3.81Å; F80-V99 HydrophobicContact CG-CB 3.85Å; F80-V99 HydrophobicContact CG-CG1 4.28Å; F80-V99 HydrophobicContact CZ-CB 3.96Å; F80-V99 HydrophobicContact CZ-CG1 4.27Å; F80-V99 HydrophobicContact CZ-CG2 4.24Å; I91-V99 HydrophobicContact CB-CG1 4.14Å; I91-V99 HydrophobicContact CD1-CG1 4.49Å; I91-V99 HydrophobicContact CG2-CG1 3.68Å; P96-V99 WeakPolarHBondContact O-CG2 3.07Å; V99-T102 PolarHBondContact O-N 3.31Å; V99-R103 WeakPolarHBondContact O-CB 3.43Å; V99-R103 PolarHBondContact O-N 2.7Å
100	N	95.1	Very high	94.5	Very high	32 Å²	32	55.3 Å²	55.3	17%	0.171	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-47.2	176.1	-76	-22.3	0	0	0	111.8	P96 R97 T102 R103 N104 Q304	P96-N100 VanDerWaalsContact O-CB 3.28Å; P96-N100 WeakPolarHBondContact O-CB 3.47Å; P96-N100 VanDerWaalsContact O-CG 3.23Å; P96-N100 PolarHBondContact O-N 2.97Å; P96-N100 PolarHBondContact O-ND2 3.38Å; R97-N100 PolarHBondContact O-N 3.48Å; N100-T102 VanDerWaalsContact C-N 3.32Å; N100-T102 PolarHBondContact O-N 3.41Å; N100-R103 PolarHBondContact O-N 3.13Å; N100-R103 PolarHBondContact OD1-NH2 3.27Å; N100-R103 VanDerWaalsContact OD1-NH2 3.14Å; N100-N104 WeakPolarHBondContact O-CB 3.25Å; N100-N104 PolarHBondContact O-N 2.94Å; N100-N104 PolarHBondContact O-ND2 3.22Å; N100-N104 PolarHBondContact O-OD1 3.31Å; N100-Q304 HydrophobicContact CB-CG 4.48Å; N100-Q304 PolarHBondContact ND2-NE2 2.89Å
101	L	96.5	Very high	94.6	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-46.5	176.4	-75.7	174.2	0	0	0	111.3	R97 R103 N104 I105 M157 L303 Q304	R97-L101 HydrophobicContact CG-CD1 3.8Å; R97-L101 HydrophobicContact CG-CG 4.31Å; R97-L101 WeakPolarHBondContact O-CB 3.47Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.41Å; R97-L101 PolarHBondContact O-N 3.21Å; L101-R103 PolarHBondContact O-N 3.24Å; L101-N104 PolarHBondContact O-N 3.07Å; L101-I105 WeakPolarHBondContact O-CB 3.44Å; L101-I105 VanDerWaalsContact O-CG1 3.24Å; L101-I105 WeakPolarHBondContact O-CG1 3.31Å; L101-I105 PolarHBondContact O-N 2.74Å; L101-M157 HydrophobicContact CB-CE 4.01Å; L101-M157 HydrophobicContact CB-SD 4.14Å; L101-M157 HydrophobicContact CD1-CE 4.27Å; L101-L303 HydrophobicContact CD2-CB 3.45Å; L101-L303 VanDerWaalsContact CD2-CB 3.45Å; L101-L303 HydrophobicContact CD2-CD1 4Å; L101-L303 HydrophobicContact CD2-CG 4.4Å; L101-Q304 HydrophobicContact CD2-CB 4.43Å
102	T	97.1	Very high	94.8	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-48.7	179.6	-58.5	0	0	0	0	111.2	F80 A81 I91 F98 V99 N100 R106 M157	F80-T102 HydrophobicContact CB-CG2 4.4Å; A81-T102 HydrophobicContact CB-CG2 3.78Å; I91-T102 HydrophobicContact CD1-CG2 3.97Å; F98-T102 WeakPolarHBondContact O-CB 3.36Å; F98-T102 PolarHBondContact O-N 2.98Å; F98-T102 VanDerWaalsContact O-N 3.08Å; F98-T102 PolarHBondContact O-OG1 3.41Å; V99-T102 PolarHBondContact O-N 3.31Å; N100-T102 VanDerWaalsContact C-N 3.32Å; N100-T102 PolarHBondContact O-N 3.41Å; T102-R106 PolarHBondContact O-N 2.98Å; T102-M157 HydrophobicContact CG2-CB 4.3Å; T102-M157 PolarHBondContact OG1-SD 2.89Å
103	R	97.1	Very high	95.1	Very high	90 Å²	90	48.2 Å²	48.2	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-48.3	177.8	-178.7	-175.3	66.3	-163.5	-5.9	111.8	F80 V99 N100 L101 R106 M107	F80-R103 HydrophobicContact CB-CB 4.4Å; F80-R103 HydrophobicContact CD1-CB 4.23Å; V99-R103 WeakPolarHBondContact O-CB 3.43Å; V99-R103 PolarHBondContact O-N 2.7Å; N100-R103 PolarHBondContact O-N 3.13Å; N100-R103 PolarHBondContact OD1-NH2 3.27Å; N100-R103 VanDerWaalsContact OD1-NH2 3.14Å; L101-R103 PolarHBondContact O-N 3.24Å; R103-R106 PolarHBondContact O-N 3.4Å; R103-M107 HydrophobicContact CG-CG 4.21Å; R103-M107 HydrophobicContact CG-SD 3.72Å; R103-M107 WeakPolarHBondContact O-CB 3.49Å; R103-M107 VanDerWaalsContact O-CG 3.32Å; R103-M107 WeakPolarHBondContact O-CG 3.39Å; R103-M107 PolarHBondContact O-N 3.4Å
104	N	97.5	Very high	95.6	Very high	43 Å²	43	45 Å²	45	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-38.1	-170.9	-66.9	-2.4	0	0	0	111.3	N100 L101 M107 R108 L303	N100-N104 WeakPolarHBondContact O-CB 3.25Å; N100-N104 PolarHBondContact O-N 2.94Å; N100-N104 PolarHBondContact O-ND2 3.22Å; N100-N104 PolarHBondContact O-OD1 3.31Å; L101-N104 PolarHBondContact O-N 3.07Å; N104-M107 PolarHBondContact O-N 3.15Å; N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 PolarHBondContact O-N 2.78Å; N104-L303 WeakPolarHBondContact CB-O 3.35Å; N104-L303 PolarHBondContact ND2-O 2.97Å
105	I	98.3	Very high	96.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-50.8	171.9	-71.6	169	0	0	0	110.4	L101 M107 R108 R109 V113 M157 V227 D229 L303	L101-I105 WeakPolarHBondContact O-CB 3.44Å; L101-I105 VanDerWaalsContact O-CG1 3.24Å; L101-I105 WeakPolarHBondContact O-CG1 3.31Å; L101-I105 PolarHBondContact O-N 2.74Å; I105-M107 PolarHBondContact O-N 2.83Å; I105-R108 PolarHBondContact O-N 2.74Å; I105-R109 VanDerWaalsContact O-CB 3.23Å; I105-R109 WeakPolarHBondContact O-CB 3.41Å; I105-R109 PolarHBondContact O-N 2.76Å; I105-V113 HydrophobicContact CG2-CG1 3.97Å; I105-M157 HydrophobicContact CD1-CE 4.46Å; I105-M157 HydrophobicContact CD1-SD 4.03Å; I105-V227 HydrophobicContact CD1-CB 3.88Å; I105-V227 HydrophobicContact CD1-CG1 3.87Å; I105-D229 HydrophobicContact CB-CB 4.41Å; I105-D229 HydrophobicContact CG1-CB 4.3Å; I105-D229 HydrophobicContact CG2-CB 4.01Å; I105-L303 HydrophobicContact CD1-CD1 3.91Å; I105-L303 HydrophobicContact CG1-CD1 3.67Å; I105-L303 HydrophobicContact CG1-CD2 3.87Å; I105-L303 HydrophobicContact CG1-CG 4.36Å
106	R	97.9	Very high	96.5	Very high	31 Å²	31	40.9 Å²	40.9	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-45.2	178.9	179.5	178.5	56.8	69.7	-1.2	112	G79 F80 A81 T102 R103 G110 S111 K112	G79-R106 PolarHBondContact O-NH2 2.95Å; F80-R106 VanDerWaalsContact O-CZ 3.28Å; F80-R106 PolarHBondContact O-NE 3.26Å; F80-R106 PolarHBondContact O-NH2 2.94Å; A81-R106 WeakPolarHBondContact O-CD 3.48Å; T102-R106 PolarHBondContact O-N 2.98Å; R103-R106 PolarHBondContact O-N 3.4Å; R106-G110 PolarHBondContact O-N 2.91Å; R106-G110 VanDerWaalsContact O-N 3.14Å; R106-S111 PolarHBondContact O-N 2.61Å; R106-S111 VanDerWaalsContact O-O 3.13Å; R106-K112 HydrophobicContact CG-CG 4.44Å
107	M	97.2	Very high	96.9	Very high	122 Å²	122	38 Å²	38	60%	0.601	20%	0.2	S	C	*	.	H	α-helix	trans	-66.6	-44	-179.6	-74.4	-172.8	60.1	0	0	112.1	R103 N104 I105 G110	R103-M107 HydrophobicContact CG-CG 4.21Å; R103-M107 HydrophobicContact CG-SD 3.72Å; R103-M107 WeakPolarHBondContact O-CB 3.49Å; R103-M107 VanDerWaalsContact O-CG 3.32Å; R103-M107 WeakPolarHBondContact O-CG 3.39Å; R103-M107 PolarHBondContact O-N 3.4Å; N104-M107 PolarHBondContact O-N 3.15Å; I105-M107 PolarHBondContact O-N 2.83Å; M107-G110 PolarHBondContact O-N 2.89Å
108	R	97.2	Very high	97.1	Very high	45 Å²	45	35.7 Å²	35.7	17%	0.17	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-47.9	175.6	-178.3	-175	-175.9	-77.8	0.2	111.4	N104 I105 G110 D229 T231 E234 D301	N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 PolarHBondContact O-N 2.78Å; I105-R108 PolarHBondContact O-N 2.74Å; R108-G110 PolarHBondContact O-N 2.92Å; R108-D229 WeakPolarHBondContact CD-OD2 3.32Å; R108-D229 IonicContact CZ-OD2 3.61Å; R108-D229 IonicContact NE-OD2 2.7Å; R108-D229 PolarHBondContact NH1-O 3.02Å; R108-D229 IonicContact NH1-OD1 3.92Å; R108-D229 IonicContact NH1-OD2 3.59Å; R108-T231 WeakPolarHBondContact O-CG2 3.37Å; R108-E234 IonicContact CZ-OE1 2.74Å; R108-E234 IonicContact CZ-OE2 3.45Å; R108-E234 IonicContact NH1-OE1 2.91Å; R108-E234 PolarHBondContact NH1-OE1 2.82Å; R108-E234 IonicContact NH1-OE2 3.33Å; R108-E234 PolarHBondContact NH1-OE2 2.9Å; R108-E234 IonicContact NH2-OE1 3.63Å; R108-E234 PolarHBondContact NH2-OE1 3.48Å; R108-E234 IonicContact NH2-OE2 3.43Å; R108-D301 IonicContact CZ-OD2 3.23Å; R108-D301 IonicContact NE-OD2 3.85Å; R108-D301 PolarHBondContact NE-OD2 3.19Å; R108-D301 IonicContact NH2-OD2 2.8Å; R108-D301 PolarHBondContact NH2-OD2 3.02Å
109	R	97.4	Very high	97.4	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-28.2	179.4	-171.5	-179.1	179.8	84.1	-1.4	112.2	I105 S111 K112 D228 D229	I105-R109 VanDerWaalsContact O-CB 3.23Å; I105-R109 WeakPolarHBondContact O-CB 3.41Å; I105-R109 PolarHBondContact O-N 2.76Å; R109-S111 PolarHBondContact NE-OG 3.36Å; R109-S111 PolarHBondContact O-N 3.23Å; R109-K112 WeakPolarHBondContact CD-O 3.43Å; R109-K112 PolarHBondContact NE-O 2.72Å; R109-D228 WeakPolarHBondContact CD-O 3.23Å; R109-D228 IonicContact CZ-OD2 2.6Å; R109-D228 PolarHBondContact NH1-O 3.34Å; R109-D228 IonicContact NH1-OD1 3.65Å; R109-D228 IonicContact NH1-OD2 3.89Å; R109-D228 PolarHBondContact NH1-OD2 3.33Å; R109-D228 IonicContact NH2-OD2 3.41Å; R109-D229 WeakPolarHBondContact CA-O 3.23Å
110	G	96	Very high	97.5	Very high	70 Å²	70	32.7 Å²	32.7	72%	0.722	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	4.4	-173	0	0	0	0	0	113.6	R106 M107 R108	R106-G110 PolarHBondContact O-N 2.91Å; R106-G110 VanDerWaalsContact O-N 3.14Å; M107-G110 PolarHBondContact O-N 2.89Å; R108-G110 PolarHBondContact O-N 2.92Å
111	S	96.3	Very high	97.6	Very high	31 Å²	31	38 Å²	38	22%	0.217	20%	0.199	C	C	.	.	S	Bend	trans	-155.2	168.5	-178.3	80.1	0	0	0	0	109.2	R106 R109 E142	R106-S111 PolarHBondContact O-N 2.61Å; R106-S111 VanDerWaalsContact O-O 3.13Å; R109-S111 PolarHBondContact NE-OG 3.36Å; R109-S111 PolarHBondContact O-N 3.23Å; S111-E142 VanDerWaalsContact CB-OE1 3.29Å; S111-E142 WeakPolarHBondContact CB-OE1 3.24Å
112	K	97.7	Very high	97.7	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.043	20%	0.202	C	C	.	.			trans	-61.4	156.5	163.5	-68.1	-178.1	-70.2	-176	0	109.9	R82 R106 R109 E142 D155	R82-K112 WeakPolarHBondContact O-CD 3.28Å; R82-K112 PolarHBondContact O-NZ 3.13Å; R106-K112 HydrophobicContact CG-CG 4.44Å; R109-K112 WeakPolarHBondContact CD-O 3.43Å; R109-K112 PolarHBondContact NE-O 2.72Å; K112-E142 WeakPolarHBondContact CB-OE1 3.34Å; K112-E142 WeakPolarHBondContact CE-OE2 3.3Å; K112-E142 PolarHBondContact N-OE1 3.17Å; K112-D155 HydrophobicContact CB-CB 4.46Å; K112-D155 HydrophobicContact CD-CB 4.3Å; K112-D155 WeakPolarHBondContact CE-OD2 3.45Å; K112-D155 IonicContact NZ-OD2 2.87Å; K112-D155 PolarHBondContact NZ-OD2 3.22Å
113	V	98	Very high	97.7	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.048	23%	0.23	C	C	.	.			trans	-63.4	148.6	164.1	-66.3	0	0	0	0	108.5	I105 D155 G225	I105-V113 HydrophobicContact CG2-CG1 3.97Å; V113-D155 VanDerWaalsContact O-CA 3.3Å; V113-D155 WeakPolarHBondContact O-CA 3.28Å; V113-G225 WeakPolarHBondContact CB-O 3.49Å
114	A	97.7	Very high	97.7	Very high	26 Å²	26	46.1 Å²	46.1	22%	0.215	24%	0.241	C	C	.	.			trans	-130	107.2	-178.3	0	0	0	0	0	108.3	N146 Y153	A114-N146 HydrophobicContact CB-CB 4.05Å; A114-Y153 HydrophobicContact CB-CE2 4.14Å
115	I	98.6	Very high	97.8	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.2	-178.2	-46.3	166.4	0	0	0	107.2	V117 Y153 M154 F159 I222	I115-V117 HydrophobicContact CG2-CG2 4.05Å; I115-Y153 WeakPolarHBondContact O-CA 3.46Å; I115-M154 HydrophobicContact CB-CB 4.12Å; I115-M154 HydrophobicContact CB-CE 4.44Å; I115-M154 WeakPolarHBondContact CB-O 3.23Å; I115-M154 HydrophobicContact CD1-CB 4.24Å; I115-M154 HydrophobicContact CG2-CE 3.94Å; I115-M154 PolarHBondContact N-O 2.85Å; I115-M154 PolarHBondContact O-N 3.27Å; I115-F159 HydrophobicContact CD1-CB 4.09Å; I115-I222 HydrophobicContact CD1-CG2 4.4Å; I115-I222 HydrophobicContact CG2-CB 4.4Å; I115-I222 HydrophobicContact CG2-CG1 4.35Å; I115-I222 HydrophobicContact CG2-CG2 4.22Å
116	N	98.4	Very high	97.7	Very high	41 Å²	41	47.6 Å²	47.6	22%	0.219	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.4	177.2	-75.5	-72.9	0	0	0	108.5	N146 A147 L148 H151	N116-N146 PolarHBondContact ND2-O 3.06Å; N116-A147 WeakPolarHBondContact OD1-CA 3.42Å; N116-L148 HydrophobicContact CB-CB 4.42Å; N116-L148 HydrophobicContact CB-CD1 3.95Å; N116-L148 HydrophobicContact CB-CG 4.18Å; N116-L148 PolarHBondContact OD1-N 3.33Å; N116-H151 HydrophobicContact CB-CB 3.93Å
117	V	98.4	Very high	97.6	Very high	5 Å²	5	53 Å²	53	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.2	-179.6	-176.4	0	0	0	0	109.2	I115 I119 H151 I152 M154 F209 A214 V216 I222	I115-V117 HydrophobicContact CG2-CG2 4.05Å; V117-I119 PolarHBondContact O-N 3.33Å; V117-H151 CarbonylContact O-C 3.58Å; V117-H151 WeakPolarHBondContact O-CA 3.43Å; V117-I152 HydrophobicContact CB-CB 4.41Å; V117-I152 PolarHBondContact N-O 3.11Å; V117-I152 PolarHBondContact O-N 3.32Å; V117-M154 HydrophobicContact CB-CE 4.4Å; V117-M154 HydrophobicContact CG2-CE 3.39Å; V117-F209 HydrophobicContact CG1-CD2 4.06Å; V117-F209 HydrophobicContact CG1-CE2 4.25Å; V117-A214 HydrophobicContact CG1-CB 3.66Å; V117-V216 HydrophobicContact CG1-CG2 3.49Å; V117-V216 VanDerWaalsContact CG1-CG2 3.49Å; V117-I222 HydrophobicContact CG2-CD1 4.05Å; V117-I222 HydrophobicContact CG2-CG1 3.49Å; V117-I222 VanDerWaalsContact CG2-CG1 3.49Å
118	P	98.4	Very high	97.5	Very high	47 Å²	47	50.8 Å²	50.8	31%	0.305	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	126.9	179.4	-26.6	34.5	0	0	0	111.2	A214 D215	P118-A214 CarbonylContact O-C 3.44Å; P118-A214 WeakPolarHBondContact O-CA 3.17Å; P118-D215 HydrophobicContact CB-CB 4.08Å; P118-D215 PolarHBondContact O-N 3.36Å
119	I	98.6	Very high	97.5	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-76.3	142.6	176.7	-163.3	173.2	0	0	0	109.8	V117 R121 T125 F129 D150 I152 Y212	V117-I119 PolarHBondContact O-N 3.33Å; I119-R121 PolarHBondContact O-N 2.92Å; I119-T125 HydrophobicContact CD1-CG2 4.08Å; I119-T125 HydrophobicContact CG2-CG2 4.38Å; I119-F129 HydrophobicContact CB-CD1 4.37Å; I119-F129 HydrophobicContact CD1-CB 4.36Å; I119-F129 HydrophobicContact CD1-CD1 3.75Å; I119-F129 HydrophobicContact CD1-CD2 3.45Å; I119-F129 VanDerWaalsContact CD1-CD2 3.45Å; I119-F129 HydrophobicContact CD1-CE1 3.79Å; I119-F129 HydrophobicContact CD1-CE2 3.5Å; I119-F129 VanDerWaalsContact CD1-CE2 3.5Å; I119-F129 HydrophobicContact CD1-CG 3.58Å; I119-F129 HydrophobicContact CD1-CZ 3.67Å; I119-F129 HydrophobicContact CG2-CB 3.88Å; I119-F129 HydrophobicContact CG2-CD1 4.15Å; I119-F129 HydrophobicContact CG2-CG 4.07Å; I119-D150 WeakPolarHBondContact CG2-O 3.4Å; I119-D150 PolarHBondContact N-O 3.31Å; I119-I152 HydrophobicContact CB-CG1 4.1Å; I119-I152 HydrophobicContact CD1-CG1 4.45Å; I119-I152 HydrophobicContact CG1-CD1 4.37Å; I119-I152 HydrophobicContact CG1-CG1 4.06Å; I119-Y212 HydrophobicContact CD1-CD1 3.99Å; I119-Y212 HydrophobicContact CD1-CG 4.4Å
120	Y	98.5	Very high	97.5	Very high	40 Å²	40	53.4 Å²	53.4	16%	0.157	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-62	130.6	168.4	177.6	-117	0	0	0	109.1	D122 T125 L213 Q508 S517	Y120-D122 HydrophobicContact CD1-CB 3.96Å; Y120-D122 HydrophobicContact CE1-CB 3.61Å; Y120-T125 PolarHBondContact O-OG1 2.94Å; Y120-L213 VanDerWaalsContact CB-O 3.27Å; Y120-L213 WeakPolarHBondContact CB-O 3.39Å; Y120-L213 HydrophobicContact CD1-CB 4.16Å; Y120-L213 HydrophobicContact CD1-CD1 4Å; Y120-L213 HydrophobicContact CG-CB 4.29Å; Y120-L213 PolarHBondContact N-O 3.14Å; Y120-Q508 VanDerWaalsContact CE1-NE2 3.27Å; Y120-Q508 VanDerWaalsContact CZ-NE2 3.29Å; Y120-Q508 PolarHBondContact OH-NE2 2.91Å; Y120-Q508 VanDerWaalsContact OH-NE2 3.13Å; Y120-S517 WeakPolarHBondContact O-CB 3.44Å; Y120-S517 PolarHBondContact O-OG 3.08Å
121	R	97.2	Very high	97.5	Very high	144 Å²	144	51.9 Å²	51.9	54%	0.543	27%	0.268	S	S	.	.			trans	-99.1	91.7	179.8	-63.1	-177.5	-173.1	-167.2	-1.1	110.1	I119 D150	I119-R121 PolarHBondContact O-N 2.92Å; R121-D150 IonicContact CZ-OD2 3.66Å; R121-D150 IonicContact NH1-OD2 3.8Å; R121-D150 VanDerWaalsContact NH2-CB 3.26Å; R121-D150 IonicContact NH2-OD1 3.6Å; R121-D150 IonicContact NH2-OD2 2.71Å; R121-D150 PolarHBondContact NH2-OD2 2.94Å
122	D	97.2	Very high	97.5	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.102	28%	0.284	C	S	.	.			trans	-86.5	-174.2	173.8	-153.2	-29.1	0	0	0	110.8	Y120 R124 T125 Y513 K515	Y120-D122 HydrophobicContact CD1-CB 3.96Å; Y120-D122 HydrophobicContact CE1-CB 3.61Å; D122-R124 PolarHBondContact O-N 3.2Å; D122-T125 WeakPolarHBondContact CA-OG1 3.45Å; D122-T125 WeakPolarHBondContact CB-OG1 3.42Å; D122-T125 PolarHBondContact N-OG1 2.88Å; D122-Y513 WeakPolarHBondContact OD2-CE1 3.44Å; D122-Y513 VanDerWaalsContact OD2-CZ 3.3Å; D122-Y513 PolarHBondContact OD2-OH 3.02Å; D122-K515 VanDerWaalsContact CB-O 3.3Å; D122-K515 WeakPolarHBondContact CB-O 3.23Å; D122-K515 WeakPolarHBondContact OD2-CA 3.32Å
123	V	97.8	Very high	97.4	Very high	109 Å²	109	55.3 Å²	55.3	66%	0.661	28%	0.283	S	S	*	.	S	Bend	trans	-62	-43.1	-174.9	179.3	0	0	0	0	112	K515	V123-K515 HydrophobicContact CB-CB 4.34Å; V123-K515 HydrophobicContact CG2-CD 4.48Å; V123-K515 PolarHBondContact N-O 3.16Å
124	R	98.1	Very high	97.3	Very high	153 Å²	153	58.7 Å²	58.7	58%	0.577	31%	0.307	S	S	*	.	S	Bend	trans	-107.8	7.6	-177.3	-64.4	-168.5	-75.6	-165.5	-5.5	113.4	D122 K514 K515 D516	D122-R124 PolarHBondContact O-N 3.2Å; R124-K514 PolarHBondContact NE-O 3Å; R124-K514 VanDerWaalsContact NH2-CA 3.29Å; R124-K514 PolarHBondContact NH2-O 3.31Å; R124-K515 VanDerWaalsContact CA-O 3.32Å; R124-K515 WeakPolarHBondContact CA-O 3.28Å; R124-K515 WeakPolarHBondContact CB-O 3.23Å; R124-K515 PolarHBondContact N-O 3.34Å; R124-D516 HydrophobicContact CB-CB 4.24Å
125	T	98.3	Very high	97.1	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.031	33%	0.33	C	S	.	.	S	Bend	trans	-64.4	128.3	170.3	-49.7	0	0	0	0	108.3	I119 Y120 D122 F129 S517	I119-T125 HydrophobicContact CD1-CG2 4.08Å; I119-T125 HydrophobicContact CG2-CG2 4.38Å; Y120-T125 PolarHBondContact O-OG1 2.94Å; D122-T125 WeakPolarHBondContact CA-OG1 3.45Å; D122-T125 WeakPolarHBondContact CB-OG1 3.42Å; D122-T125 PolarHBondContact N-OG1 2.88Å; T125-F129 HydrophobicContact CG2-CB 4.45Å; T125-S517 PolarHBondContact OG1-OG 3.38Å
126	P	97	Very high	96.8	Very high	72 Å²	72	66.1 Å²	66.1	47%	0.468	34%	0.337	S	S	.	.			trans	-52.8	145.6	176.9	-26.4	34	0	0	0	112.2	P128 F129	P126-P128 VanDerWaalsContact C-C 3.46Å; P126-P128 CarbonylContact C-O 3.45Å; P126-P128 CarbonylContact O-C 3.52Å; P126-P128 VanDerWaalsContact O-C 3.3Å; P126-F129 HydrophobicContact CG-CD2 4.48Å; P126-F129 PolarHBondContact O-N 3.15Å
127	K	94.7	Very high	96.6	Very high	145 Å²	145	65.8 Å²	65.8	63%	0.63	34%	0.343	S	S	*	.	S	Bend	trans	-132.6	102.3	-177.7	-68.2	175.6	-171.1	171.8	0	109.8
128	P	96.4	Very high	96.4	Very high	75 Å²	75	69.7 Å²	69.7	49%	0.487	37%	0.369	S	S	.	.	S	Bend	cis	-69.8	153.5	-2.6	30.5	-34.7	0	0	0	112.4	P126 V130 A149 D150	P126-P128 VanDerWaalsContact C-C 3.46Å; P126-P128 CarbonylContact C-O 3.45Å; P126-P128 CarbonylContact O-C 3.52Å; P126-P128 VanDerWaalsContact O-C 3.3Å; P128-V130 HydrophobicContact CB-CG2 4Å; P128-V130 HydrophobicContact CG-CG2 3.88Å; P128-V130 PolarHBondContact O-N 2.77Å; P128-A149 HydrophobicContact CB-CB 4.09Å; P128-D150 WeakPolarHBondContact CA-OD1 3.28Å
129	F	97.7	Very high	96.2	Very high	12 Å²	12	68.1 Å²	68.1	5%	0.053	36%	0.359	C	S	.	.			trans	-76.1	115.1	163.2	173.8	-92.9	0	0	0	108.4	I119 T125 P126 E131 D150 H151 Y212	I119-F129 HydrophobicContact CB-CD1 4.37Å; I119-F129 HydrophobicContact CD1-CB 4.36Å; I119-F129 HydrophobicContact CD1-CD1 3.75Å; I119-F129 HydrophobicContact CD1-CD2 3.45Å; I119-F129 VanDerWaalsContact CD1-CD2 3.45Å; I119-F129 HydrophobicContact CD1-CE1 3.79Å; I119-F129 HydrophobicContact CD1-CE2 3.5Å; I119-F129 VanDerWaalsContact CD1-CE2 3.5Å; I119-F129 HydrophobicContact CD1-CG 3.58Å; I119-F129 HydrophobicContact CD1-CZ 3.67Å; I119-F129 HydrophobicContact CG2-CB 3.88Å; I119-F129 HydrophobicContact CG2-CD1 4.15Å; I119-F129 HydrophobicContact CG2-CG 4.07Å; T125-F129 HydrophobicContact CG2-CB 4.45Å; P126-F129 HydrophobicContact CG-CD2 4.48Å; P126-F129 PolarHBondContact O-N 3.15Å; F129-E131 HydrophobicContact CE1-CG 3.65Å; F129-E131 HydrophobicContact CE2-CG 4.25Å; F129-E131 HydrophobicContact CZ-CG 3.45Å; F129-E131 VanDerWaalsContact CZ-CG 3.45Å; F129-D150 PolarHBondContact N-OD1 3.14Å; F129-D150 PolarHBondContact O-N 2.68Å; F129-H151 WeakPolarHBondContact CE1-O 3.19Å; F129-Y212 HydrophobicContact CE2-CD1 4.26Å; F129-Y212 AromaticContact CE2-CE1 3.79Å; F129-Y212 HydrophobicContact CE2-CE1 3.79Å; F129-Y212 HydrophobicContact CZ-CD1 4.21Å; F129-Y212 AromaticContact CZ-CE1 3.82Å; F129-Y212 HydrophobicContact CZ-CE1 3.82Å; F129-Y212 HydrophobicContact CZ-CE2 4.46Å; F129-Y212 AromaticContact CZ-CZ 3.97Å
130	V	97.1	Very high	96.1	Very high	101 Å²	101	68.1 Å²	68.1	61%	0.612	36%	0.36	S	S	*	.			trans	-137.3	133.7	177.7	-178.1	0	0	0	0	107.2	P128 A149	P128-V130 HydrophobicContact CB-CG2 4Å; P128-V130 HydrophobicContact CG-CG2 3.88Å; P128-V130 PolarHBondContact O-N 2.77Å; V130-A149 HydrophobicContact CG2-CB 4.23Å
131	E	95.6	Very high	96	Very high	38 Å²	38	72.2 Å²	72.2	18%	0.178	38%	0.381	C	S	.	.			trans	-102.1	149.4	178.5	-64.3	178.3	89.5	0	0	110.7	F129 Y133 R210	F129-E131 HydrophobicContact CE1-CG 3.65Å; F129-E131 HydrophobicContact CE2-CG 4.25Å; F129-E131 HydrophobicContact CZ-CG 3.45Å; F129-E131 VanDerWaalsContact CZ-CG 3.45Å; E131-Y133 HydrophobicContact CB-CE1 4Å; E131-Y133 HydrophobicContact CB-CE2 4.34Å; E131-Y133 PolarHBondContact OE2-OH 3.01Å; E131-R210 IonicContact OE1-CZ 3.66Å; E131-R210 IonicContact OE1-NH1 3.8Å; E131-R210 IonicContact OE1-NH2 2.83Å; E131-R210 PolarHBondContact OE1-NH2 3.41Å; E131-R210 IonicContact OE2-CZ 2.71Å; E131-R210 IonicContact OE2-NH1 3.94Å; E131-R210 IonicContact OE2-NH2 3.87Å; E131-R210 PolarHBondContact OE2-NH2 2.7Å
132	D	95.6	Very high	95.9	Very high	104 Å²	104	68.1 Å²	68.1	56%	0.556	37%	0.368	S	S	*	.			trans	-97.2	116.3	177	-175.4	9.6	0	0	0	111	S134 Q135	D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.19Å; D132-S134 PolarHBondContact OD1-OG 2.99Å; D132-S134 PolarHBondContact OD2-OG 3.34Å; D132-Q135 PolarHBondContact O-NE2 2.57Å
133	Y	96.9	Very high	95.9	Very high	8 Å²	8	67.2 Å²	67.2	3%	0.031	36%	0.363	C	S	.	.			trans	-99.4	1.1	176.9	-51.9	-64.1	0	0	0	113.2	L84 F85 E131 Q135 F136 A143 A147 Y153	L84-Y133 HydrophobicContact CD1-CD1 4.29Å; F85-Y133 HydrophobicContact CE1-CE1 4.44Å; F85-Y133 HydrophobicContact CZ-CD1 4.03Å; F85-Y133 AromaticContact CZ-CE1 3.7Å; F85-Y133 HydrophobicContact CZ-CE1 3.7Å; E131-Y133 HydrophobicContact CB-CE1 4Å; E131-Y133 HydrophobicContact CB-CE2 4.34Å; E131-Y133 PolarHBondContact OE2-OH 3.01Å; Y133-Q135 PolarHBondContact O-N 3.31Å; Y133-Q135 VanDerWaalsContact O-N 3.15Å; Y133-F136 HydrophobicContact CD1-CD2 4.43Å; Y133-F136 HydrophobicContact CD1-CE2 4.31Å; Y133-F136 WeakPolarHBondContact O-CB 3.42Å; Y133-F136 PolarHBondContact O-N 2.82Å; Y133-A143 HydrophobicContact CD1-CB 4.13Å; Y133-A143 HydrophobicContact CD2-CB 3.75Å; Y133-A143 HydrophobicContact CE1-CB 4.48Å; Y133-A143 HydrophobicContact CE2-CB 4.12Å; Y133-A143 HydrophobicContact CG-CB 3.75Å; Y133-A147 HydrophobicContact CE2-CB 3.63Å; Y133-Y153 HydrophobicContact CE1-CD1 4.34Å; Y133-Y153 WeakPolarHBondContact OH-CB 3.5Å
134	S	94.2	Very high	95.8	Very high	79 Å²	79	66 Å²	66	55%	0.552	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.4	-29	-179.7	69.5	0	0	0	0	112.7	D132 F136 G137	D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.19Å; D132-S134 PolarHBondContact OD1-OG 2.99Å; D132-S134 PolarHBondContact OD2-OG 3.34Å; S134-F136 PolarHBondContact O-N 3.26Å; S134-F136 VanDerWaalsContact O-N 3.12Å; S134-G137 PolarHBondContact O-N 3.49Å
135	Q	93.5	Very high	95.7	Very high	150 Å²	150	65 Å²	65	70%	0.701	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-58.5	-22	174.2	66.3	-176.1	-41.7	0	0	114.1	D132 Y133 G137	D132-Q135 PolarHBondContact O-NE2 2.57Å; Y133-Q135 PolarHBondContact O-N 3.31Å; Y133-Q135 VanDerWaalsContact O-N 3.15Å; Q135-G137 VanDerWaalsContact C-N 3.32Å
136	F	94.2	Very high	95.6	Very high	39 Å²	39	67.5 Å²	67.5	17%	0.171	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-88.4	0.5	176.6	-61	-74.2	0	0	0	113.2	I74 Y77 L84 F85 Y133 S134	I74-F136 HydrophobicContact CD1-CD1 4.08Å; I74-F136 HydrophobicContact CD1-CE1 3.63Å; Y77-F136 PolarHBondContact OH-O 3.36Å; L84-F136 HydrophobicContact CB-CD1 4.35Å; L84-F136 HydrophobicContact CB-CD2 4.38Å; L84-F136 HydrophobicContact CB-CE1 4.23Å; L84-F136 HydrophobicContact CB-CE2 4.26Å; L84-F136 HydrophobicContact CB-CG 4.43Å; L84-F136 HydrophobicContact CB-CZ 4.18Å; L84-F136 HydrophobicContact CD1-CD2 3.86Å; L84-F136 HydrophobicContact CD1-CE2 4.28Å; L84-F136 HydrophobicContact CD1-CG 4.2Å; L84-F136 HydrophobicContact CD2-CB 3.82Å; L84-F136 HydrophobicContact CD2-CD1 4.01Å; L84-F136 HydrophobicContact CD2-CD2 4.29Å; L84-F136 HydrophobicContact CD2-CG 3.78Å; L84-F136 HydrophobicContact CG-CD2 4.4Å; L84-F136 HydrophobicContact CG-CG 4.35Å; L84-F136 WeakPolarHBondContact O-CE1 3.39Å; F85-F136 HydrophobicContact CD1-CZ 4.32Å; F85-F136 AromaticContact CE1-CE2 3.92Å; F85-F136 HydrophobicContact CE1-CE2 3.92Å; F85-F136 AromaticContact CE1-CZ 3.9Å; F85-F136 HydrophobicContact CE1-CZ 3.9Å; F85-F136 HydrophobicContact CZ-CE2 4.49Å; Y133-F136 HydrophobicContact CD1-CD2 4.43Å; Y133-F136 HydrophobicContact CD1-CE2 4.31Å; Y133-F136 WeakPolarHBondContact O-CB 3.42Å; Y133-F136 PolarHBondContact O-N 2.82Å; S134-F136 PolarHBondContact O-N 3.26Å; S134-F136 VanDerWaalsContact O-N 3.12Å
137	G	93.9	Very high	95.7	Very high	34 Å²	34	65.2 Å²	65.2	35%	0.351	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	61.6	-144	-176	0	0	0	0	0	111.8	S134 Q135 A139 G140	S134-G137 PolarHBondContact O-N 3.49Å; Q135-G137 VanDerWaalsContact C-N 3.32Å; G137-A139 PolarHBondContact O-N 3.34Å; G137-A139 VanDerWaalsContact O-N 3.14Å; G137-G140 PolarHBondContact O-N 2.9Å
138	P	94.1	Very high	95.8	Very high	88 Å²	88	62.9 Å²	62.9	57%	0.571	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-56	-30.4	-179.3	-27.8	35.4	0	0	0	114.7	Y77 G140 E141	Y77-P138 WeakPolarHBondContact OH-CD 3.21Å; P138-G140 PolarHBondContact O-N 3.15Å; P138-E141 PolarHBondContact O-N 3.09Å
139	A	93.4	Very high	95.9	Very high	13 Å²	13	61.9 Å²	61.9	11%	0.107	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-64.3	-21.5	175.6	0	0	0	0	0	113.7	P76 Y77 L84 G137	P76-A139 HydrophobicContact CB-CB 3.72Å; P76-A139 HydrophobicContact CG-CB 4.37Å; Y77-A139 HydrophobicContact CD1-CB 4.34Å; Y77-A139 HydrophobicContact CE1-CB 3.68Å; Y77-A139 HydrophobicContact CE2-CB 4.13Å; Y77-A139 PolarHBondContact OH-N 2.85Å; L84-A139 HydrophobicContact CD2-CB 3.95Å; G137-A139 PolarHBondContact O-N 3.34Å; G137-A139 VanDerWaalsContact O-N 3.14Å
140	G	96.4	Very high	95.9	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.021	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-76	-19.8	176.9	0	0	0	0	0	114.1	G137 P138 E142 A143 T144	G137-G140 PolarHBondContact O-N 2.9Å; P138-G140 PolarHBondContact O-N 3.15Å; G140-E142 VanDerWaalsContact C-N 3.34Å; G140-E142 PolarHBondContact O-N 3.41Å; G140-A143 WeakPolarHBondContact O-CB 3.16Å; G140-A143 PolarHBondContact O-N 3.12Å; G140-T144 PolarHBondContact O-N 2.95Å; G140-T144 PolarHBondContact O-OG1 3.04Å; G140-T144 VanDerWaalsContact O-OG1 3.12Å
141	E	96.2	Very high	96	Very high	127 Å²	127	60.1 Å²	60.1	59%	0.593	34%	0.34	S	S	*	.	H	α-helix	trans	-61	-41.1	-175.6	-69.9	-177.5	-175.4	0	0	112.5	P138 A143 T144 N145	P138-E141 PolarHBondContact O-N 3.09Å; E141-A143 VanDerWaalsContact C-N 3.28Å; E141-A143 PolarHBondContact O-N 3.08Å; E141-T144 PolarHBondContact O-N 2.81Å; E141-N145 VanDerWaalsContact O-CG 3.3Å; E141-N145 PolarHBondContact O-N 3.45Å; E141-N145 PolarHBondContact O-ND2 3.41Å; E141-N145 VanDerWaalsContact O-ND2 3.14Å
142	E	95.6	Very high	96.1	Very high	57 Å²	57	58.3 Å²	58.3	27%	0.266	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-37.6	176.3	-173.1	178.5	175.6	0	0	111.5	S111 K112 G140 N146	S111-E142 VanDerWaalsContact CB-OE1 3.29Å; S111-E142 WeakPolarHBondContact CB-OE1 3.24Å; K112-E142 WeakPolarHBondContact CB-OE1 3.34Å; K112-E142 WeakPolarHBondContact CE-OE2 3.3Å; K112-E142 PolarHBondContact N-OE1 3.17Å; G140-E142 VanDerWaalsContact C-N 3.34Å; G140-E142 PolarHBondContact O-N 3.41Å; E142-N146 WeakPolarHBondContact CG-ND2 3.44Å; E142-N146 WeakPolarHBondContact O-CB 3.5Å; E142-N146 PolarHBondContact O-N 3.11Å; E142-N146 VanDerWaalsContact O-N 3.17Å; E142-N146 PolarHBondContact O-ND2 3.18Å
143	A	97.1	Very high	96.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-69.5	-45	176	0	0	0	0	0	111.3	L84 Y133 G140 E141 N145 N146 A147 Y153	L84-A143 HydrophobicContact CD1-CB 3.49Å; L84-A143 VanDerWaalsContact CD1-CB 3.49Å; Y133-A143 HydrophobicContact CD1-CB 4.13Å; Y133-A143 HydrophobicContact CD2-CB 3.75Å; Y133-A143 HydrophobicContact CE1-CB 4.48Å; Y133-A143 HydrophobicContact CE2-CB 4.12Å; Y133-A143 HydrophobicContact CG-CB 3.75Å; G140-A143 WeakPolarHBondContact O-CB 3.16Å; G140-A143 PolarHBondContact O-N 3.12Å; E141-A143 VanDerWaalsContact C-N 3.28Å; E141-A143 PolarHBondContact O-N 3.08Å; A143-N145 PolarHBondContact O-N 3.35Å; A143-N146 PolarHBondContact O-N 2.88Å; A143-N146 VanDerWaalsContact O-N 3.13Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3.48Å; A143-Y153 HydrophobicContact CB-CD1 3.96Å; A143-Y153 HydrophobicContact CB-CE1 3.35Å
144	T	96.7	Very high	96.3	Very high	84 Å²	84	53 Å²	53	52%	0.515	30%	0.304	S	S	.	.	H	α-helix	trans	-55.6	-38.7	176	-58.5	0	0	0	0	112.3	G140 E141	G140-T144 PolarHBondContact O-N 2.95Å; G140-T144 PolarHBondContact O-OG1 3.04Å; G140-T144 VanDerWaalsContact O-OG1 3.12Å; E141-T144 PolarHBondContact O-N 2.81Å
145	N	95.4	Very high	96.5	Very high	131 Å²	131	49.3 Å²	49.3	70%	0.701	28%	0.278	S	S	*	.	H	α-helix	trans	-79.6	-24.5	-179.8	-68.2	-31.8	0	0	0	113.9	E141 A143	E141-N145 VanDerWaalsContact O-CG 3.3Å; E141-N145 PolarHBondContact O-N 3.45Å; E141-N145 PolarHBondContact O-ND2 3.41Å; E141-N145 VanDerWaalsContact O-ND2 3.14Å; A143-N145 PolarHBondContact O-N 3.35Å
146	N	96.5	Very high	96.7	Very high	58 Å²	58	42.2 Å²	42.2	31%	0.31	25%	0.246	S	C	.	.	H	α-helix	trans	-106.1	-20.2	-174.7	-73.4	-60.5	0	0	0	114.4	A114 N116 E142 A143 Y153	A114-N146 HydrophobicContact CB-CB 4.05Å; N116-N146 PolarHBondContact ND2-O 3.06Å; E142-N146 WeakPolarHBondContact CG-ND2 3.44Å; E142-N146 WeakPolarHBondContact O-CB 3.5Å; E142-N146 PolarHBondContact O-N 3.11Å; E142-N146 VanDerWaalsContact O-N 3.17Å; E142-N146 PolarHBondContact O-ND2 3.18Å; A143-N146 PolarHBondContact O-N 2.88Å; A143-N146 VanDerWaalsContact O-N 3.13Å; N146-Y153 HydrophobicContact CB-CE2 3.9Å
147	A	97.8	Very high	96.9	Very high	25 Å²	25	41.1 Å²	41.1	21%	0.207	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-72.7	130.9	178.9	0	0	0	0	0	110.3	N116 Y133 A143 Y153	N116-A147 WeakPolarHBondContact OD1-CA 3.42Å; Y133-A147 HydrophobicContact CE2-CB 3.63Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3.48Å; A147-Y153 HydrophobicContact CB-CD2 3.85Å; A147-Y153 HydrophobicContact CB-CG 3.84Å
148	L	98	Very high	97.1	Very high	95 Å²	95	40 Å²	40	50%	0.497	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-91.5	143.4	175.8	-60.1	179	0	0	0	110.2	N116 H151	N116-L148 HydrophobicContact CB-CB 4.42Å; N116-L148 HydrophobicContact CB-CD1 3.95Å; N116-L148 HydrophobicContact CB-CG 4.18Å; N116-L148 PolarHBondContact OD1-N 3.33Å; L148-H151 HydrophobicContact CB-CB 4.14Å; L148-H151 WeakPolarHBondContact O-CB 3.45Å; L148-H151 PolarHBondContact O-N 3.26Å
149	A	97.9	Very high	97.3	Very high	54 Å²	54	36 Å²	36	45%	0.446	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	144.8	167.4	0	0	0	0	0	110.5	P128 V130 H151	P128-A149 HydrophobicContact CB-CB 4.09Å; V130-A149 HydrophobicContact CG2-CB 4.23Å; A149-H151 PolarHBondContact O-N 2.8Å; A149-H151 PolarHBondContact O-ND1 3.23Å
150	D	98.2	Very high	97.5	Very high	29 Å²	29	35.3 Å²	35.3	16%	0.155	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	25.8	-176.4	-57.2	-48.5	0	0	0	114.7	I119 R121 P128 F129	I119-D150 WeakPolarHBondContact CG2-O 3.4Å; I119-D150 PolarHBondContact N-O 3.31Å; R121-D150 IonicContact CZ-OD2 3.66Å; R121-D150 IonicContact NH1-OD2 3.8Å; R121-D150 VanDerWaalsContact NH2-CB 3.26Å; R121-D150 IonicContact NH2-OD1 3.6Å; R121-D150 IonicContact NH2-OD2 2.71Å; R121-D150 PolarHBondContact NH2-OD2 2.94Å; P128-D150 WeakPolarHBondContact CA-OD1 3.28Å; F129-D150 PolarHBondContact N-OD1 3.14Å; F129-D150 PolarHBondContact O-N 2.68Å
151	H	98.6	Very high	97.5	Very high	47 Å²	47	37.5 Å²	37.5	22%	0.218	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.8	175.8	-64.7	68.8	0	0	0	112	N116 V117 F129 L148 A149	N116-H151 HydrophobicContact CB-CB 3.93Å; V117-H151 CarbonylContact O-C 3.58Å; V117-H151 WeakPolarHBondContact O-CA 3.43Å; F129-H151 WeakPolarHBondContact CE1-O 3.19Å; L148-H151 HydrophobicContact CB-CB 4.14Å; L148-H151 WeakPolarHBondContact O-CB 3.45Å; L148-H151 PolarHBondContact O-N 3.26Å; A149-H151 PolarHBondContact O-N 2.8Å; A149-H151 PolarHBondContact O-ND1 3.23Å
152	I	98.6	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118	165.2	-52.7	157.3	0	0	0	106.9	V117 I119 F209 R210 Y212 A214	V117-I152 HydrophobicContact CB-CB 4.41Å; V117-I152 PolarHBondContact N-O 3.11Å; V117-I152 PolarHBondContact O-N 3.32Å; I119-I152 HydrophobicContact CB-CG1 4.1Å; I119-I152 HydrophobicContact CD1-CG1 4.45Å; I119-I152 HydrophobicContact CG1-CD1 4.37Å; I119-I152 HydrophobicContact CG1-CG1 4.06Å; I152-F209 HydrophobicContact CD1-CB 4.41Å; I152-R210 HydrophobicContact CG2-CB 4.2Å; I152-Y212 HydrophobicContact CG1-CD2 4.37Å; I152-Y212 HydrophobicContact CG1-CG 4.25Å; I152-Y212 HydrophobicContact CG2-CD2 4.09Å; I152-A214 HydrophobicContact CD1-CB 3.94Å
153	Y	98.6	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.9	178.7	-179.3	-107.9	0	0	0	111.8	F85 A114 I115 Y133 A143 N146 A147 D155 R210	F85-Y153 AromaticContact CE2-CD1 3.9Å; F85-Y153 HydrophobicContact CE2-CD1 3.9Å; F85-Y153 HydrophobicContact CE2-CE1 4.26Å; F85-Y153 HydrophobicContact CZ-CD1 4.39Å; A114-Y153 HydrophobicContact CB-CE2 4.14Å; I115-Y153 WeakPolarHBondContact O-CA 3.46Å; Y133-Y153 HydrophobicContact CE1-CD1 4.34Å; Y133-Y153 WeakPolarHBondContact OH-CB 3.5Å; A143-Y153 HydrophobicContact CB-CD1 3.96Å; A143-Y153 HydrophobicContact CB-CE1 3.35Å; N146-Y153 HydrophobicContact CB-CE2 3.9Å; A147-Y153 HydrophobicContact CB-CD2 3.85Å; A147-Y153 HydrophobicContact CB-CG 3.84Å; Y153-D155 HydrophobicContact CE1-CB 3.75Å; Y153-R210 PolarHBondContact O-NH1 2.78Å
154	M	98.6	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.2	175.7	-66.8	175.2	-70.7	0	0	109.9	I115 V117 F159 F209 R210 I222	I115-M154 HydrophobicContact CB-CB 4.12Å; I115-M154 HydrophobicContact CB-CE 4.44Å; I115-M154 WeakPolarHBondContact CB-O 3.23Å; I115-M154 HydrophobicContact CD1-CB 4.24Å; I115-M154 HydrophobicContact CG2-CE 3.94Å; I115-M154 PolarHBondContact N-O 2.85Å; I115-M154 PolarHBondContact O-N 3.27Å; V117-M154 HydrophobicContact CB-CE 4.4Å; V117-M154 HydrophobicContact CG2-CE 3.39Å; M154-F159 HydrophobicContact CB-CB 4.01Å; M154-F159 HydrophobicContact CB-CD1 4.01Å; M154-F159 HydrophobicContact CB-CD2 3.62Å; M154-F159 HydrophobicContact CB-CE1 4.3Å; M154-F159 HydrophobicContact CB-CE2 3.96Å; M154-F159 HydrophobicContact CB-CG 3.63Å; M154-F159 HydrophobicContact CB-CZ 4.28Å; M154-F159 HydrophobicContact CG-CB 4.34Å; M154-F159 HydrophobicContact CG-CD1 3.6Å; M154-F159 HydrophobicContact CG-CD2 4.1Å; M154-F159 HydrophobicContact CG-CE1 3.7Å; M154-F159 HydrophobicContact CG-CE2 4.22Å; M154-F159 HydrophobicContact CG-CG 3.78Å; M154-F159 HydrophobicContact CG-CZ 4.01Å; M154-F159 HydrophobicContact SD-CB 3.8Å; M154-F159 HydrophobicContact SD-CD1 3.23Å; M154-F159 WeakPolarHBondContact SD-CD1 3.44Å; M154-F159 HydrophobicContact SD-CE1 3.8Å; M154-F159 HydrophobicContact SD-CG 3.64Å; M154-F209 HydrophobicContact CE-CB 4.02Å; M154-F209 HydrophobicContact CE-CD1 4.03Å; M154-F209 HydrophobicContact CE-CG 4.14Å; M154-F209 HydrophobicContact SD-CB 3.97Å; M154-F209 HydrophobicContact SD-CD1 4.25Å; M154-F209 HydrophobicContact SD-CG 4.48Å; M154-R210 HydrophobicContact CG-CB 4.46Å; M154-I222 HydrophobicContact CE-CG1 4.27Å; M154-I222 HydrophobicContact CE-CG2 3.95Å
155	D	98.1	Very high	97.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.011	17%	0.17	C	C	.	.			trans	-128.4	21.4	-165.5	73	-25.3	0	0	0	114.9	S83 L84 F85 K112 V113 Y153	S83-D155 WeakPolarHBondContact CA-OD2 3.44Å; S83-D155 WeakPolarHBondContact CB-OD1 3.16Å; S83-D155 PolarHBondContact OG-OD1 2.7Å; L84-D155 PolarHBondContact N-OD1 3.43Å; L84-D155 PolarHBondContact N-OD2 3.38Å; F85-D155 WeakPolarHBondContact CD2-OD1 3.16Å; K112-D155 HydrophobicContact CB-CB 4.46Å; K112-D155 HydrophobicContact CD-CB 4.3Å; K112-D155 WeakPolarHBondContact CE-OD2 3.45Å; K112-D155 IonicContact NZ-OD2 2.87Å; K112-D155 PolarHBondContact NZ-OD2 3.22Å; V113-D155 VanDerWaalsContact O-CA 3.3Å; V113-D155 WeakPolarHBondContact O-CA 3.28Å; Y153-D155 HydrophobicContact CE1-CB 3.75Å
156	A	98.1	Very high	97.6	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	14%	0.141	C	C	.	.	S	Bend	trans	-138.8	149.3	-176.5	0	0	0	0	0	113.4	F86 G158 F159	F86-A156 HydrophobicContact CB-CB 3.6Å; F86-A156 HydrophobicContact CG-CB 4.09Å; A156-G158 PolarHBondContact O-N 3.42Å; A156-F159 HydrophobicContact CB-CD2 3.74Å; A156-F159 HydrophobicContact CB-CE2 4.09Å; A156-F159 PolarHBondContact O-N 2.77Å; A156-F159 VanDerWaalsContact O-N 3.13Å
157	M	98.2	Very high	97.6	Very high	16 Å²	16	23.4 Å²	23.4	8%	0.079	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.2	172.3	-179.6	177.5	177.7	0	0	112.4	L101 T102 I105 F159 G160 M161 S226 V227	L101-M157 HydrophobicContact CB-CE 4.01Å; L101-M157 HydrophobicContact CB-SD 4.14Å; L101-M157 HydrophobicContact CD1-CE 4.27Å; T102-M157 HydrophobicContact CG2-CB 4.3Å; T102-M157 PolarHBondContact OG1-SD 2.89Å; I105-M157 HydrophobicContact CD1-CE 4.46Å; I105-M157 HydrophobicContact CD1-SD 4.03Å; M157-F159 PolarHBondContact O-N 3.35Å; M157-G160 PolarHBondContact O-N 2.81Å; M157-G160 VanDerWaalsContact O-N 3.16Å; M157-M161 HydrophobicContact CE-CB 4.09Å; M157-M161 HydrophobicContact CE-CG 3.65Å; M157-M161 HydrophobicContact CG-CB 4.08Å; M157-M161 HydrophobicContact CG-CG 4.03Å; M157-M161 PolarHBondContact O-N 3.33Å; M157-S226 VanDerWaalsContact CA-O 3.28Å; M157-S226 WeakPolarHBondContact CA-O 3.23Å; M157-V227 HydrophobicContact CE-CG1 3.82Å; M157-V227 HydrophobicContact CG-CG1 3.86Å; M157-V227 HydrophobicContact SD-CG1 4.2Å
158	G	96.9	Very high	97.4	Very high	11 Å²	11	22.8 Å²	22.8	11%	0.113	13%	0.134	C	C	.	.	H	α-helix	trans	-58	-29.1	179.1	0	0	0	0	0	114.1	L62 A156 G160 G162	L62-G158 WeakPolarHBondContact CD2-O 3.43Å; A156-G158 PolarHBondContact O-N 3.42Å; G158-G160 VanDerWaalsContact C-N 3.28Å; G158-G160 PolarHBondContact O-N 3.28Å; G158-G162 WeakPolarHBondContact O-CA 3.44Å; G158-G162 PolarHBondContact O-N 2.98Å
159	F	98.1	Very high	97.1	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-68.1	-24.9	179.2	-77	-73.9	0	0	0	114.4	L62 F85 F86 I115 M154 A156 M157 C163 R210 I222	L62-F159 HydrophobicContact CD2-CD1 4.14Å; L62-F159 HydrophobicContact CG-CD1 4.42Å; L62-F159 VanDerWaalsContact O-CE1 3.24Å; L62-F159 WeakPolarHBondContact O-CE1 3.32Å; F85-F159 HydrophobicContact CB-CE2 3.99Å; F85-F159 HydrophobicContact CB-CZ 3.61Å; F85-F159 HydrophobicContact CD2-CE2 4.25Å; F85-F159 HydrophobicContact CD2-CZ 4.23Å; F85-F159 HydrophobicContact CG-CZ 4.29Å; F86-F159 HydrophobicContact CB-CE2 4.06Å; I115-F159 HydrophobicContact CD1-CB 4.09Å; M154-F159 HydrophobicContact CB-CB 4.01Å; M154-F159 HydrophobicContact CB-CD1 4.01Å; M154-F159 HydrophobicContact CB-CD2 3.62Å; M154-F159 HydrophobicContact CB-CE1 4.3Å; M154-F159 HydrophobicContact CB-CE2 3.96Å; M154-F159 HydrophobicContact CB-CG 3.63Å; M154-F159 HydrophobicContact CB-CZ 4.28Å; M154-F159 HydrophobicContact CG-CB 4.34Å; M154-F159 HydrophobicContact CG-CD1 3.6Å; M154-F159 HydrophobicContact CG-CD2 4.1Å; M154-F159 HydrophobicContact CG-CE1 3.7Å; M154-F159 HydrophobicContact CG-CE2 4.22Å; M154-F159 HydrophobicContact CG-CG 3.78Å; M154-F159 HydrophobicContact CG-CZ 4.01Å; M154-F159 HydrophobicContact SD-CB 3.8Å; M154-F159 HydrophobicContact SD-CD1 3.23Å; M154-F159 WeakPolarHBondContact SD-CD1 3.44Å; M154-F159 HydrophobicContact SD-CE1 3.8Å; M154-F159 HydrophobicContact SD-CG 3.64Å; A156-F159 HydrophobicContact CB-CD2 3.74Å; A156-F159 HydrophobicContact CB-CE2 4.09Å; A156-F159 PolarHBondContact O-N 2.77Å; A156-F159 VanDerWaalsContact O-N 3.13Å; M157-F159 PolarHBondContact O-N 3.35Å; F159-C163 PolarHBondContact O-SG 3.22Å; F159-C163 VanDerWaalsContact O-SG 3.32Å; F159-R210 HydrophobicContact CE1-CB 4.12Å; F159-R210 HydrophobicContact CE1-CG 3.98Å; F159-R210 HydrophobicContact CZ-CG 4.22Å; F159-I222 WeakPolarHBondContact O-CG2 3.35Å
160	G	97.8	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-107.3	-54.7	175.8	0	0	0	0	0	112.5	M157 G158 G162 C163 I223 S226	M157-G160 PolarHBondContact O-N 2.81Å; M157-G160 VanDerWaalsContact O-N 3.16Å; G158-G160 VanDerWaalsContact C-N 3.28Å; G158-G160 PolarHBondContact O-N 3.28Å; G160-G162 PolarHBondContact O-N 2.86Å; G160-C163 WeakPolarHBondContact O-CB 3.35Å; G160-C163 PolarHBondContact O-N 3.03Å; G160-C163 PolarHBondContact O-SG 3.06Å; G160-I223 WeakPolarHBondContact O-CG1 3.29Å; G160-S226 WeakPolarHBondContact CA-OG 3.49Å
161	M	96.4	Very high	95.7	Very high	48 Å²	48	21.4 Å²	21.4	24%	0.236	12%	0.119	C	C	.	.	H	α-helix	trans	-69	-13.8	179.4	-73.3	-72.8	-170.9	0	0	113.4	K14 M157 C163 I223 V227 Y252 W329	K14-M161 PolarHBondContact NZ-O 2.71Å; M157-M161 HydrophobicContact CE-CB 4.09Å; M157-M161 HydrophobicContact CE-CG 3.65Å; M157-M161 HydrophobicContact CG-CB 4.08Å; M157-M161 HydrophobicContact CG-CG 4.03Å; M157-M161 PolarHBondContact O-N 3.33Å; M161-C163 VanDerWaalsContact C-N 3.34Å; M161-I223 HydrophobicContact CE-CG2 4.23Å; M161-I223 HydrophobicContact CG-CG2 4.35Å; M161-I223 HydrophobicContact SD-CG2 4.08Å; M161-V227 HydrophobicContact CE-CB 4.37Å; M161-V227 HydrophobicContact CE-CG1 3.6Å; M161-V227 HydrophobicContact CE-CG2 3.99Å; M161-V227 HydrophobicContact CG-CG1 3.68Å; M161-Y252 HydrophobicContact CE-CD2 4.1Å; M161-W329 HydrophobicContact CE-CD2 3.73Å; M161-W329 HydrophobicContact CE-CE3 3.98Å; M161-W329 HydrophobicContact CE-CG 4.26Å; M161-W329 HydrophobicContact CE-CH2 4.18Å; M161-W329 HydrophobicContact CE-CZ2 3.95Å; M161-W329 HydrophobicContact CE-CZ3 4.19Å
162	G	95.8	Very high	94	Very high	10 Å²	10	20.2 Å²	20.2	10%	0.103	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.8	166.2	0	0	0	0	0	114	F12 G158 G160	F12-G162 WeakPolarHBondContact CZ-O 3.26Å; G158-G162 WeakPolarHBondContact O-CA 3.44Å; G158-G162 PolarHBondContact O-N 2.98Å; G160-G162 PolarHBondContact O-N 2.86Å
163	C	96.8	Very high	92.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	14%	0.141	C	C	.	.	S	Bend	trans	-67.7	157.4	172	-58.1	0	0	0	0	111.6	K14 G57 F159 G160 M161 R219 I223	K14-C163 PolarHBondContact NZ-O 3.07Å; G57-C163 CarbonylContact O-C 3.55Å; G57-C163 WeakPolarHBondContact O-CA 3.42Å; G57-C163 WeakPolarHBondContact O-CB 3.47Å; F159-C163 PolarHBondContact O-SG 3.22Å; F159-C163 VanDerWaalsContact O-SG 3.32Å; G160-C163 WeakPolarHBondContact O-CB 3.35Å; G160-C163 PolarHBondContact O-N 3.03Å; G160-C163 PolarHBondContact O-SG 3.06Å; M161-C163 VanDerWaalsContact C-N 3.34Å; C163-R219 HydrophobicContact CB-CB 4.18Å; C163-R219 HydrophobicContact CB-CG 4.49Å; C163-I223 HydrophobicContact CB-CD1 4.08Å; C163-I223 HydrophobicContact CB-CG1 4.43Å
164	C	97	Very high	89.8	Confident	22 Å²	22	29.7 Å²	29.7	15%	0.149	16%	0.155	C	C	.	.			trans	-111.2	158.8	-178.5	-64.5	0	0	0	0	111.8	F56 G57 R219 L355	F56-C164 WeakPolarHBondContact O-CB 3.21Å; G57-C164 PolarHBondContact O-N 2.96Å; C164-R219 VanDerWaalsContact O-CD 3.22Å; C164-R219 WeakPolarHBondContact O-CD 3.29Å; C164-R219 PolarHBondContact O-NE 2.81Å; C164-R219 VanDerWaalsContact O-NE 3.17Å; C164-L355 HydrophobicContact CB-CB 4.26Å; C164-L355 HydrophobicContact CB-CD2 3.68Å
165	C	97.3	Very high	87.1	Confident	46 Å²	46	36 Å²	36	31%	0.311	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-149	162.1	-176.8	59.7	0	0	0	0	112	Q167 R219	C165-Q167 HydrophobicContact CB-CG 4.45Å; C165-R219 VanDerWaalsContact CB-CZ 3.44Å
166	L	96.9	Very high	84.4	Confident	16 Å²	16	43.9 Å²	43.9	8%	0.084	23%	0.229	C	C	.	.			trans	-103.7	126.3	164	179.5	62.4	0	0	0	108.4	M36 T353 L355 N362 F365 V366	M36-L166 HydrophobicContact CE-CD1 4.22Å; L166-T353 HydrophobicContact CB-CG2 4.12Å; L166-T353 HydrophobicContact CD2-CG2 4.06Å; L166-T353 HydrophobicContact CG-CG2 4.46Å; L166-T353 PolarHBondContact N-O 3Å; L166-T353 WeakPolarHBondContact O-CB 3.49Å; L166-L355 HydrophobicContact CB-CD1 4.33Å; L166-N362 HydrophobicContact CD2-CB 4.26Å; L166-N362 WeakPolarHBondContact CD2-O 3.31Å; L166-F365 HydrophobicContact CD2-CB 3.85Å; L166-V366 HydrophobicContact CD1-CG2 3.82Å; L166-V366 HydrophobicContact CD2-CG2 3.9Å; L166-V366 HydrophobicContact CG-CG2 4.15Å
167	Q	95.5	Very high	81.4	Confident	65 Å²	65	50 Å²	50	30%	0.304	26%	0.261	S	S	.	.			trans	-125.7	142	178.1	-57.4	-170.3	-30.9	0	0	109.4	C165 E349 F350 R351	C165-Q167 HydrophobicContact CB-CG 4.45Å; Q167-E349 PolarHBondContact OE1-OE1 3.32Å; Q167-F350 WeakPolarHBondContact CA-O 3.19Å; Q167-R351 HydrophobicContact CG-CB 4.46Å; Q167-R351 VanDerWaalsContact OE1-NH1 3.14Å
168	V	93.4	Very high	78.5	Confident	11 Å²	11	58.9 Å²	58.9	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.9	-179.7	-169	0	0	0	0	108.4	F170 E349 F350 V366 I369 V370	V168-F170 HydrophobicContact CB-CE1 4.23Å; V168-F170 HydrophobicContact CB-CE2 4.23Å; V168-F170 HydrophobicContact CB-CZ 3.64Å; V168-F170 HydrophobicContact CG1-CD1 4.21Å; V168-F170 HydrophobicContact CG1-CE1 3.41Å; V168-F170 VanDerWaalsContact CG1-CE1 3.41Å; V168-F170 HydrophobicContact CG1-CE2 4.17Å; V168-F170 HydrophobicContact CG1-CZ 3.35Å; V168-F170 WeakPolarHBondContact O-CE2 3.48Å; V168-E349 CarbonylContact O-C 3.2Å; V168-E349 WeakPolarHBondContact O-CA 3.25Å; V168-F350 PolarHBondContact N-O 3.43Å; V168-F350 PolarHBondContact O-N 2.88Å; V168-V366 HydrophobicContact CG1-CG1 4.29Å; V168-V366 HydrophobicContact CG2-CB 4.31Å; V168-V366 HydrophobicContact CG2-CG1 4.24Å; V168-V366 HydrophobicContact CG2-CG2 3.88Å; V168-I369 HydrophobicContact CG2-CD1 4.25Å; V168-V370 HydrophobicContact CG1-CG2 4.01Å
169	T	91.9	Very high	75.8	Confident	66 Å²	66	61.4 Å²	61.4	41%	0.405	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.2	174.7	-57.5	0	0	0	0	109.5	K335 R347 V348 E349	T169-K335 HydrophobicContact CG2-CD 4.29Å; T169-R347 HydrophobicContact CG2-CB 3.91Å; T169-R347 HydrophobicContact CG2-CG 4.23Å; T169-V348 CarbonylContact C-O 3.46Å; T169-V348 WeakPolarHBondContact CA-O 3.42Å; T169-E349 WeakPolarHBondContact OG1-CG 3.47Å
170	F	86.2	Confident	73.8	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.7	178.6	-42.3	-86.1	0	0	0	109.1	V168 L192 R347 V348 F350 I369 V370 T373	V168-F170 HydrophobicContact CB-CE1 4.23Å; V168-F170 HydrophobicContact CB-CE2 4.23Å; V168-F170 HydrophobicContact CB-CZ 3.64Å; V168-F170 HydrophobicContact CG1-CD1 4.21Å; V168-F170 HydrophobicContact CG1-CE1 3.41Å; V168-F170 VanDerWaalsContact CG1-CE1 3.41Å; V168-F170 HydrophobicContact CG1-CE2 4.17Å; V168-F170 HydrophobicContact CG1-CZ 3.35Å; V168-F170 WeakPolarHBondContact O-CE2 3.48Å; F170-L192 HydrophobicContact CD2-CD1 4.39Å; F170-L192 HydrophobicContact CE2-CD1 4.17Å; F170-R347 WeakPolarHBondContact O-CA 3.48Å; F170-R347 WeakPolarHBondContact O-CB 3.38Å; F170-R347 WeakPolarHBondContact O-CG 3.48Å; F170-V348 HydrophobicContact CD2-CB 4.45Å; F170-V348 VanDerWaalsContact CD2-O 3.26Å; F170-V348 WeakPolarHBondContact CD2-O 3.46Å; F170-V348 PolarHBondContact N-O 3.38Å; F170-V348 PolarHBondContact O-N 3.25Å; F170-F350 HydrophobicContact CE2-CB 3.76Å; F170-F350 HydrophobicContact CZ-CB 4.25Å; F170-I369 HydrophobicContact CE1-CG2 4.15Å; F170-I369 HydrophobicContact CE2-CG2 4.27Å; F170-I369 HydrophobicContact CZ-CB 4.33Å; F170-I369 HydrophobicContact CZ-CG2 3.43Å; F170-I369 VanDerWaalsContact CZ-CG2 3.43Å; F170-V370 HydrophobicContact CD1-CG2 4.24Å; F170-V370 HydrophobicContact CE1-CB 4.29Å; F170-V370 HydrophobicContact CE1-CG2 3.65Å; F170-T373 HydrophobicContact CD1-CG2 3.81Å; F170-T373 HydrophobicContact CD2-CG2 4.48Å; F170-T373 HydrophobicContact CE1-CG2 3.81Å; F170-T373 HydrophobicContact CG-CG2 4.18Å; F170-T373 HydrophobicContact CZ-CG2 4.22Å
171	Q	81.2	Confident	72.8	Confident	69 Å²	69	66.4 Å²	66.4	32%	0.322	35%	0.35	S	S	.	.			trans	-122.6	111.9	159.4	-175.8	174	-60	0	0	105.4	V180 N343 G345 R347	Q171-V180 HydrophobicContact CG-CG1 4.45Å; Q171-N343 PolarHBondContact NE2-O 3.08Å; Q171-N343 VanDerWaalsContact NE2-O 3.11Å; Q171-G345 VanDerWaalsContact CD-N 3.27Å; Q171-R347 HydrophobicContact CB-CG 3.81Å; Q171-R347 HydrophobicContact CG-CG 4.2Å
172	E	63.5	Low	72.5	Confident	22 Å²	22	65.8 Å²	65.8	10%	0.103	35%	0.349	C	S	.	.			trans	-91	143.7	171.5	-75.1	-66.4	174.3	0	0	110.2	V180 E184 L188 R374 L377	E172-V180 WeakPolarHBondContact O-CG1 3.5Å; E172-E184 WeakPolarHBondContact CB-OE1 3.19Å; E172-L188 HydrophobicContact CB-CD1 4.49Å; E172-L188 HydrophobicContact CG-CD1 3.77Å; E172-R374 VanDerWaalsContact CD-NH2 3.28Å; E172-R374 IonicContact OE1-CZ 3.53Å; E172-R374 IonicContact OE1-NE 3.45Å; E172-R374 PolarHBondContact OE1-NE 3.22Å; E172-R374 IonicContact OE1-NH1 3.53Å; E172-R374 PolarHBondContact OE1-NH1 2.98Å; E172-R374 VanDerWaalsContact OE1-NH1 3.12Å; E172-R374 IonicContact OE1-NH2 3.76Å; E172-R374 PolarHBondContact OE1-NH2 2.92Å; E172-R374 IonicContact OE2-CZ 2.96Å; E172-R374 IonicContact OE2-NH1 3.65Å; E172-R374 PolarHBondContact OE2-NH1 2.66Å; E172-R374 IonicContact OE2-NH2 3.55Å; E172-R374 PolarHBondContact OE2-NH2 3.39Å; E172-L377 HydrophobicContact CG-CD1 4.15Å
173	R	60.4	Low	72.2	Confident	153 Å²	153	68.3 Å²	68.3	58%	0.577	36%	0.358	S	S	*	.			trans	-117.2	111.7	176.2	-177.5	-178.1	-88	-177.5	-6.5	106.2	V175	R173-V175 PolarHBondContact O-N 3.2Å
174	T	48.1	Very low	71.7	Confident	46 Å²	46	70.1 Å²	70.1	28%	0.282	37%	0.366	S	S	.	.			trans	-59.5	126.1	173.7	-51.3	0	0	0	0	108.8	H176 L177 E184	T174-H176 PolarHBondContact O-N 2.74Å; T174-L177 VanDerWaalsContact O-O 3.05Å; T174-E184 PolarHBondContact OG1-OE2 3.15Å
175	V	42.1	Very low	71.4	Confident	133 Å²	133	69.4 Å²	69.4	81%	0.806	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.2	-168.9	179.7	0	0	0	0	113.2	R173	R173-V175 PolarHBondContact O-N 3.2Å
176	H	41.5	Very low	71.2	Confident	167 Å²	167	67.4 Å²	67.4	77%	0.773	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-8.2	-169.6	-67.1	-16.2	0	0	0	115.9	T174	T174-H176 PolarHBondContact O-N 2.74Å
177	L	33.6	Very low	71	Confident	131 Å²	131	68.6 Å²	68.6	69%	0.686	35%	0.351	S	S	*	.	S	Bend	trans	-140.1	134.9	171.1	-68.5	169.2	0	0	0	107	T174 A179	T174-L177 VanDerWaalsContact O-O 3.05Å; L177-A179 PolarHBondContact O-N 2.89Å
178	Q	39.2	Very low	70.8	Confident	202 Å²	202	65.7 Å²	65.7	94%	0.944	34%	0.338	S	S	*	.	S	Bend	trans	-65.6	18.5	175.5	-67.7	-179.3	-26.6	0	0	113.3
179	A	38.7	Very low	71	Confident	63 Å²	63	65.2 Å²	65.2	52%	0.521	34%	0.335	S	S	.	.	S	Bend	trans	-105.9	130.3	177.5	0	0	0	0	0	109.8	L177 D181	L177-A179 PolarHBondContact O-N 2.89Å; A179-D181 PolarHBondContact O-N 2.85Å
180	V	57.2	Low	71.2	Confident	34 Å²	34	62 Å²	62	21%	0.206	32%	0.315	C	S	.	.			trans	-80.8	112.6	174.9	178.1	0	0	0	0	108.3	Q171 E172 W346	Q171-V180 HydrophobicContact CG-CG1 4.45Å; E172-V180 WeakPolarHBondContact O-CG1 3.5Å; V180-W346 HydrophobicContact CG1-CB 4.35Å
181	D	76.8	Confident	71.6	Confident	73 Å²	73	61.3 Å²	61.3	39%	0.39	31%	0.312	S	S	.	.			trans	-79.4	122.2	-171.4	-166.6	-5	0	0	0	112	A179 E183 E184 A185	A179-D181 PolarHBondContact O-N 2.85Å; D181-E183 PolarHBondContact O-N 3.48Å; D181-E183 WeakPolarHBondContact OD1-CB 3.34Å; D181-E183 PolarHBondContact OD1-N 3.48Å; D181-E184 HydrophobicContact CB-CB 4.31Å; D181-E184 PolarHBondContact O-N 2.76Å; D181-A185 PolarHBondContact O-N 3.01Å
182	V	89.2	Confident	72.4	Confident	35 Å²	35	58 Å²	58	21%	0.212	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-33.5	172.9	67.2	0	0	0	0	111.1	A185 R186 F334 W346	V182-A185 PolarHBondContact O-N 2.77Å; V182-R186 HydrophobicContact CG2-CG 4.47Å; V182-R186 WeakPolarHBondContact O-CG 3.41Å; V182-R186 PolarHBondContact O-N 3.4Å; V182-F334 HydrophobicContact CG2-CZ 3.9Å; V182-W346 HydrophobicContact CB-CD2 4.18Å; V182-W346 HydrophobicContact CB-CG 4.14Å; V182-W346 HydrophobicContact CB-CZ2 4.49Å; V182-W346 HydrophobicContact CG2-CD2 3.76Å; V182-W346 HydrophobicContact CG2-CE3 4.17Å; V182-W346 HydrophobicContact CG2-CG 4.18Å; V182-W346 HydrophobicContact CG2-CH2 4.28Å; V182-W346 HydrophobicContact CG2-CZ2 3.88Å; V182-W346 HydrophobicContact CG2-CZ3 4.41Å
183	E	88.7	Confident	74	Confident	63 Å²	63	57 Å²	57	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-69.1	-42.1	-177.9	-65.1	-57	125.7	0	0	111.8	D181 A185 R186 W187 H260	D181-E183 PolarHBondContact O-N 3.48Å; D181-E183 WeakPolarHBondContact OD1-CB 3.34Å; D181-E183 PolarHBondContact OD1-N 3.48Å; E183-A185 VanDerWaalsContact C-N 3.33Å; E183-A185 PolarHBondContact O-N 2.75Å; E183-R186 PolarHBondContact O-N 2.73Å; E183-R186 IonicContact OE1-CZ 3.75Å; E183-R186 IonicContact OE1-NH1 2.71Å; E183-R186 PolarHBondContact OE1-NH1 3.3Å; E183-W187 WeakPolarHBondContact O-CB 3.49Å; E183-W187 PolarHBondContact O-N 2.93Å; E183-H260 IonicContact OE2-CD2 2.67Å; E183-H260 IonicContact OE2-NE2 3.05Å
184	E	86.8	Confident	75.8	Confident	41 Å²	41	49.7 Å²	49.7	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-39	175.5	-165.2	178.7	131.3	0	0	111.4	E172 T174 D181 W187 L188 L377	E172-E184 WeakPolarHBondContact CB-OE1 3.19Å; T174-E184 PolarHBondContact OG1-OE2 3.15Å; D181-E184 HydrophobicContact CB-CB 4.31Å; D181-E184 PolarHBondContact O-N 2.76Å; E184-W187 WeakPolarHBondContact O-CB 3.35Å; E184-W187 PolarHBondContact O-N 3.47Å; E184-L188 PolarHBondContact O-N 3.28Å; E184-L377 HydrophobicContact CG-CD1 4.39Å; E184-L377 HydrophobicContact CG-CD2 3.78Å; E184-L377 VanDerWaalsContact OE1-CD1 3.29Å; E184-L377 WeakPolarHBondContact OE1-CD1 3.49Å
185	A	91.3	Very high	78.2	Confident	7 Å²	7	47.6 Å²	47.6	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-41.4	175.9	0	0	0	0	0	112	D181 V182 E183 L188 Y189 F334 W346 V348	D181-A185 PolarHBondContact O-N 3.01Å; V182-A185 PolarHBondContact O-N 2.77Å; E183-A185 VanDerWaalsContact C-N 3.33Å; E183-A185 PolarHBondContact O-N 2.75Å; A185-L188 PolarHBondContact O-N 3.33Å; A185-Y189 WeakPolarHBondContact O-CB 3.32Å; A185-Y189 PolarHBondContact O-N 2.98Å; A185-F334 HydrophobicContact CB-CE2 3.7Å; A185-W346 HydrophobicContact CB-CB 3.67Å; A185-V348 HydrophobicContact CB-CG2 4.18Å; A185-V348 WeakPolarHBondContact O-CG2 3.42Å
186	R	93.3	Very high	80.9	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-44.2	172.6	-70	165.1	80.5	157.8	19.5	111	V182 E183 L188 Y189 D190 L259 H260 D287 F334	V182-R186 HydrophobicContact CG2-CG 4.47Å; V182-R186 WeakPolarHBondContact O-CG 3.41Å; V182-R186 PolarHBondContact O-N 3.4Å; E183-R186 PolarHBondContact O-N 2.73Å; E183-R186 IonicContact OE1-CZ 3.75Å; E183-R186 IonicContact OE1-NH1 2.71Å; E183-R186 PolarHBondContact OE1-NH1 3.3Å; R186-L188 PolarHBondContact O-N 3.03Å; R186-Y189 WeakPolarHBondContact O-CB 3.41Å; R186-Y189 PolarHBondContact O-N 2.96Å; R186-D190 VanDerWaalsContact O-CG 3.3Å; R186-D190 PolarHBondContact O-N 3.04Å; R186-L259 HydrophobicContact CB-CB 4.28Å; R186-L259 HydrophobicContact CG-CB 4.11Å; R186-L259 PolarHBondContact NE-O 3.03Å; R186-L259 PolarHBondContact NH2-O 3.42Å; R186-H260 HydrophobicContact CB-CB 4.09Å; R186-D287 IonicContact CZ-OD1 2.98Å; R186-D287 IonicContact CZ-OD2 2.87Å; R186-D287 IonicContact NH1-OD1 2.86Å; R186-D287 IonicContact NH1-OD2 3.31Å; R186-D287 PolarHBondContact NH1-OD2 3.39Å; R186-D287 IonicContact NH2-OD1 2.93Å; R186-D287 PolarHBondContact NH2-OD1 3.1Å; R186-D287 IonicContact NH2-OD2 3.12Å; R186-D287 PolarHBondContact NH2-OD2 3.48Å; R186-F334 HydrophobicContact CG-CE2 4.02Å; R186-F334 HydrophobicContact CG-CZ 3.82Å
187	W	91.7	Very high	83.6	Confident	41 Å²	41	33.3 Å²	33.3	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-50.4	177.6	-174.3	-94.4	0	0	0	111.7	E183 E184 D190 Q191 H260 Q434	E183-W187 WeakPolarHBondContact O-CB 3.49Å; E183-W187 PolarHBondContact O-N 2.93Å; E184-W187 WeakPolarHBondContact O-CB 3.35Å; E184-W187 PolarHBondContact O-N 3.47Å; W187-D190 PolarHBondContact O-N 2.88Å; W187-Q191 HydrophobicContact CD2-CG 4.43Å; W187-Q191 HydrophobicContact CG-CG 4.41Å; W187-Q191 HydrophobicContact CZ2-CG 4.49Å; W187-Q191 WeakPolarHBondContact O-CG 3.5Å; W187-Q191 PolarHBondContact O-N 2.98Å; W187-H260 AromaticContact CE3-CD2 3.94Å; W187-H260 AromaticContact CE3-CE1 3.98Å; W187-H260 AromaticContact CE3-NE2 3.89Å; W187-Q434 HydrophobicContact CH2-CG 4.15Å; W187-Q434 HydrophobicContact CZ3-CG 4.3Å
188	L	93	Very high	86.7	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-40.7	178.2	-79.6	177.5	0	0	0	112.9	E172 E184 A185 R186 D190 Q191 L192 V348 T373 I376 L377	E172-L188 HydrophobicContact CB-CD1 4.49Å; E172-L188 HydrophobicContact CG-CD1 3.77Å; E184-L188 PolarHBondContact O-N 3.28Å; A185-L188 PolarHBondContact O-N 3.33Å; R186-L188 PolarHBondContact O-N 3.03Å; L188-D190 PolarHBondContact O-N 2.85Å; L188-Q191 PolarHBondContact O-N 3.08Å; L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.27Å; L188-V348 HydrophobicContact CB-CG2 4.39Å; L188-T373 HydrophobicContact CD2-CG2 4.42Å; L188-I376 HydrophobicContact CD2-CB 4.49Å; L188-I376 HydrophobicContact CD2-CG2 4.23Å; L188-L377 HydrophobicContact CD1-CD1 4.15Å; L188-L377 HydrophobicContact CD2-CD1 4.33Å; L188-L377 HydrophobicContact CD2-CD2 4.14Å; L188-L377 HydrophobicContact CD2-CG 4.02Å; L188-L377 HydrophobicContact CG-CD1 4.47Å; L188-L377 HydrophobicContact CG-CD2 4.18Å; L188-L377 HydrophobicContact CG-CG 4.43Å
189	Y	96.2	Very high	89.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-53.7	-47.1	173.9	178.4	-81.8	0	0	0	110.5	A185 R186 T193 T255 L259 M332 F334 V348	A185-Y189 WeakPolarHBondContact O-CB 3.32Å; A185-Y189 PolarHBondContact O-N 2.98Å; R186-Y189 WeakPolarHBondContact O-CB 3.41Å; R186-Y189 PolarHBondContact O-N 2.96Å; Y189-T193 PolarHBondContact O-N 3.04Å; Y189-T193 PolarHBondContact O-OG1 3.13Å; Y189-T255 HydrophobicContact CE1-CG2 3.78Å; Y189-T255 WeakPolarHBondContact OH-CG2 3.29Å; Y189-T255 PolarHBondContact OH-OG1 2.59Å; Y189-L259 HydrophobicContact CD1-CB 4.44Å; Y189-L259 HydrophobicContact CD1-CD1 3.68Å; Y189-L259 HydrophobicContact CD1-CG 3.71Å; Y189-L259 HydrophobicContact CD2-CD1 4.14Å; Y189-L259 HydrophobicContact CE1-CD1 3.82Å; Y189-L259 HydrophobicContact CE1-CG 3.73Å; Y189-L259 HydrophobicContact CE2-CD1 4.24Å; Y189-L259 HydrophobicContact CG-CD1 3.87Å; Y189-L259 HydrophobicContact CG-CG 4.39Å; Y189-M332 HydrophobicContact CD2-CB 3.8Å; Y189-M332 HydrophobicContact CE1-CB 4.44Å; Y189-M332 HydrophobicContact CE2-CB 3.38Å; Y189-M332 HydrophobicContact CG-CB 4.49Å; Y189-F334 HydrophobicContact CD2-CB 3.79Å; Y189-F334 HydrophobicContact CE2-CB 3.94Å; Y189-V348 HydrophobicContact CD2-CG1 4.25Å
190	D	96.4	Very high	92.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.9	-49.1	-178.7	-68.7	-4.5	0	0	0	112.2	R186 W187 L188 L192 T193 P194 Y258 L259 H260 N263 L384	R186-D190 VanDerWaalsContact O-CG 3.3Å; R186-D190 PolarHBondContact O-N 3.04Å; W187-D190 PolarHBondContact O-N 2.88Å; L188-D190 PolarHBondContact O-N 2.85Å; D190-L192 VanDerWaalsContact C-N 3.3Å; D190-L192 PolarHBondContact O-N 3.4Å; D190-T193 WeakPolarHBondContact O-CB 3.41Å; D190-T193 PolarHBondContact O-N 2.59Å; D190-P194 WeakPolarHBondContact O-CD 3.33Å; D190-Y258 HydrophobicContact CB-CD1 3.6Å; D190-Y258 HydrophobicContact CB-CE1 4.22Å; D190-Y258 HydrophobicContact CB-CG 4.43Å; D190-Y258 WeakPolarHBondContact O-CE1 3.43Å; D190-Y258 VanDerWaalsContact OD1-CA 3.24Å; D190-Y258 WeakPolarHBondContact OD1-CA 3.23Å; D190-L259 PolarHBondContact OD1-N 3.18Å; D190-L259 PolarHBondContact OD2-N 3.12Å; D190-H260 WeakPolarHBondContact OD2-CB 3.42Å; D190-H260 PolarHBondContact OD2-N 3.41Å; D190-N263 WeakPolarHBondContact CB-ND2 3.35Å; D190-N263 WeakPolarHBondContact OD2-CB 3.14Å; D190-N263 PolarHBondContact OD2-ND2 3.35Å; D190-L384 HydrophobicContact CB-CD2 4.02Å
191	Q	95.1	Very high	94.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.1	-30.4	-177	-61.1	-39.6	-45.2	0	0	113.1	W187 L188 I376 S382 F383	W187-Q191 HydrophobicContact CD2-CG 4.43Å; W187-Q191 HydrophobicContact CG-CG 4.41Å; W187-Q191 HydrophobicContact CZ2-CG 4.49Å; W187-Q191 WeakPolarHBondContact O-CG 3.5Å; W187-Q191 PolarHBondContact O-N 2.98Å; L188-Q191 PolarHBondContact O-N 3.08Å; Q191-I376 HydrophobicContact CB-CD1 4.11Å; Q191-I376 HydrophobicContact CB-CG2 3.89Å; Q191-I376 HydrophobicContact CG-CG2 3.86Å; Q191-S382 VanDerWaalsContact OE1-CA 3.24Å; Q191-F383 HydrophobicContact CB-CD2 4.43Å; Q191-F383 WeakPolarHBondContact O-CD2 3.22Å
192	L	97.1	Very high	95.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-79.6	-21.1	177.4	-70.8	174	0	0	0	113.1	F170 L188 D190 I195 T196 M332 F350 T373 I376	F170-L192 HydrophobicContact CD2-CD1 4.39Å; F170-L192 HydrophobicContact CE2-CD1 4.17Å; L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.32Å; L188-L192 PolarHBondContact O-N 3.27Å; D190-L192 VanDerWaalsContact C-N 3.3Å; D190-L192 PolarHBondContact O-N 3.4Å; L192-I195 WeakPolarHBondContact O-CA 3.46Å; L192-I195 WeakPolarHBondContact O-CB 3.48Å; L192-I195 PolarHBondContact O-N 2.77Å; L192-T196 PolarHBondContact O-N 3.35Å; L192-M332 HydrophobicContact CB-CE 3.54Å; L192-M332 HydrophobicContact CB-SD 4.11Å; L192-M332 HydrophobicContact CD1-CE 3.98Å; L192-M332 HydrophobicContact CG-CE 4.44Å; L192-F350 HydrophobicContact CB-CD2 4.14Å; L192-F350 HydrophobicContact CB-CE2 4.39Å; L192-F350 HydrophobicContact CD1-CD2 4.46Å; L192-T373 HydrophobicContact CD1-CG2 3.97Å; L192-T373 HydrophobicContact CD2-CG2 4.39Å; L192-I376 HydrophobicContact CD2-CD1 3.86Å; L192-I376 HydrophobicContact CG-CD1 4.34Å
193	T	98.3	Very high	95.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-56.8	-48.4	-178.2	-69.9	0	0	0	0	112.2	Y189 D190 I195 T196 T255 Y258 M332 V390	Y189-T193 PolarHBondContact O-N 3.04Å; Y189-T193 PolarHBondContact O-OG1 3.13Å; D190-T193 WeakPolarHBondContact O-CB 3.41Å; D190-T193 PolarHBondContact O-N 2.59Å; T193-I195 PolarHBondContact O-N 2.66Å; T193-T196 WeakPolarHBondContact O-CB 3.22Å; T193-T196 PolarHBondContact O-N 3.43Å; T193-T196 PolarHBondContact O-OG1 3.26Å; T193-T255 HydrophobicContact CG2-CG2 4.33Å; T193-Y258 HydrophobicContact CG2-CE1 3.96Å; T193-M332 WeakPolarHBondContact OG1-CG 3.42Å; T193-V390 HydrophobicContact CG2-CG1 3.84Å; T193-V390 HydrophobicContact CG2-CG2 4.2Å
194	P	97.9	Very high	96.4	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22	174	-26.7	36.5	0	0	0	115.3	D190 P197 Y258 F383 I385	D190-P194 WeakPolarHBondContact O-CD 3.33Å; P194-P197 WeakPolarHBondContact O-CD 3.31Å; P194-P197 WeakPolarHBondContact O-CG 3.37Å; P194-Y258 WeakPolarHBondContact CG-OH 3.49Å; P194-F383 HydrophobicContact CB-CB 4.25Å; P194-F383 WeakPolarHBondContact CB-O 3.3Å; P194-F383 HydrophobicContact CG-CB 4.34Å; P194-F383 VanDerWaalsContact CG-O 3.22Å; P194-F383 WeakPolarHBondContact CG-O 3.34Å; P194-I385 HydrophobicContact CB-CD1 4.34Å; P194-I385 HydrophobicContact CB-CG1 4.21Å; P194-I385 HydrophobicContact CG-CG1 4.19Å
195	I	98.3	Very high	96.9	Very high	1 Å²	1	3.1 Å²	3.1	1%	0.005	2%	0.015	C	C	.	.	G	3₁₀ helix	trans	-77.6	-27	178.7	-55.3	-60.3	0	0	0	111.4	L192 T193 I198 V199 F350 L372 F383 F410 L460	L192-I195 WeakPolarHBondContact O-CA 3.46Å; L192-I195 WeakPolarHBondContact O-CB 3.48Å; L192-I195 PolarHBondContact O-N 2.77Å; T193-I195 PolarHBondContact O-N 2.66Å; I195-I198 WeakPolarHBondContact O-CB 3.32Å; I195-I198 PolarHBondContact O-N 2.83Å; I195-V199 HydrophobicContact CG2-CG2 3.76Å; I195-V199 PolarHBondContact O-N 3.11Å; I195-F350 HydrophobicContact CB-CE2 4.32Å; I195-F350 HydrophobicContact CG2-CE2 4.26Å; I195-F350 HydrophobicContact CG2-CZ 4.29Å; I195-L372 HydrophobicContact CD1-CD2 4.22Å; I195-L372 HydrophobicContact CG1-CD2 4.06Å; I195-L372 HydrophobicContact CG2-CD2 3.93Å; I195-F383 HydrophobicContact CD1-CD2 3.88Å; I195-F383 HydrophobicContact CD1-CE2 4.15Å; I195-F383 HydrophobicContact CD1-CG 4.08Å; I195-F383 HydrophobicContact CG1-CD2 4.07Å; I195-F383 HydrophobicContact CG1-CE2 4.48Å; I195-F410 HydrophobicContact CD1-CE2 3.96Å; I195-F410 HydrophobicContact CD1-CZ 3.76Å; I195-L460 HydrophobicContact CD1-CD1 4.1Å
196	T	98.7	Very high	97.3	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-52.6	-48.7	-177.2	60.4	0	0	0	0	115.5	L192 T193 I198 V199 L200 N331 M332 F350 P352	L192-T196 PolarHBondContact O-N 3.35Å; T193-T196 WeakPolarHBondContact O-CB 3.22Å; T193-T196 PolarHBondContact O-N 3.43Å; T193-T196 PolarHBondContact O-OG1 3.26Å; T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 3.13Å; T196-V199 PolarHBondContact O-N 2.66Å; T196-L200 WeakPolarHBondContact O-CB 3.46Å; T196-L200 PolarHBondContact O-N 2.94Å; T196-N331 HydrophobicContact CG2-CB 4.08Å; T196-N331 PolarHBondContact OG1-ND2 2.96Å; T196-M332 HydrophobicContact CG2-CG 3.83Å; T196-M332 HydrophobicContact CG2-SD 3.46Å; T196-M332 WeakPolarHBondContact CG2-SD 3.27Å; T196-F350 HydrophobicContact CG2-CD2 4.05Å; T196-F350 HydrophobicContact CG2-CE2 3.58Å; T196-F350 HydrophobicContact CG2-CZ 3.96Å; T196-P352 HydrophobicContact CG2-CG 3.91Å
197	P	98.7	Very high	97.5	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-66.7	-30.4	177.3	26.2	-37	0	0	0	113.2	P194 L200 A201 N393 M394 A397 F408	P194-P197 WeakPolarHBondContact O-CD 3.31Å; P194-P197 WeakPolarHBondContact O-CG 3.37Å; P197-L200 PolarHBondContact O-N 2.88Å; P197-A201 PolarHBondContact O-N 2.87Å; P197-N393 HydrophobicContact CB-CB 3.62Å; P197-N393 HydrophobicContact CG-CB 3.51Å; P197-M394 HydrophobicContact CB-CG 4.22Å; P197-M394 HydrophobicContact CB-SD 3.82Å; P197-M394 HydrophobicContact CG-SD 4.45Å; P197-A397 HydrophobicContact CB-CB 4.09Å; P197-A397 WeakPolarHBondContact O-CB 3.23Å; P197-F408 HydrophobicContact CB-CD1 4.45Å; P197-F408 HydrophobicContact CB-CE1 4.48Å
198	I	98.7	Very high	97.9	Very high	1 Å²	1	0.8 Å²	0.8	1%	0.005	1%	0.005	C	C	.	.	H	α-helix	trans	-69.1	-47.1	179.9	-49.9	-50.8	0	0	0	109.7	I195 T196 L200 A201 L202 F408 F410 V446 I449 V450	I195-I198 WeakPolarHBondContact O-CB 3.32Å; I195-I198 PolarHBondContact O-N 2.83Å; T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 3.13Å; I198-L200 VanDerWaalsContact C-N 3.33Å; I198-L200 PolarHBondContact O-N 3.46Å; I198-A201 PolarHBondContact O-N 3.05Å; I198-L202 HydrophobicContact CG2-CD1 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.3Å; I198-L202 WeakPolarHBondContact O-CG 3.4Å; I198-L202 PolarHBondContact O-N 2.65Å; I198-F408 HydrophobicContact CD1-CB 3.54Å; I198-F408 HydrophobicContact CD1-CD1 3.83Å; I198-F408 HydrophobicContact CD1-CD2 4.07Å; I198-F408 HydrophobicContact CD1-CG 3.53Å; I198-F410 HydrophobicContact CG1-CD2 4.41Å; I198-F410 HydrophobicContact CG1-CE2 4.23Å; I198-V446 HydrophobicContact CG2-CG1 4.15Å; I198-I449 HydrophobicContact CD1-CD1 3.55Å; I198-I449 HydrophobicContact CG1-CD1 4.19Å; I198-I449 HydrophobicContact CG2-CG2 4.17Å; I198-V450 HydrophobicContact CG2-CG2 4.43Å
199	V	98.7	Very high	98.1	Very high	0 Å²	0	0.6 Å²	0.6	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-66.8	-35.6	176	177.3	0	0	0	0	111.4	I195 T196 L202 S203 F350 T353 F365 F368 I369	I195-V199 HydrophobicContact CG2-CG2 3.76Å; I195-V199 PolarHBondContact O-N 3.11Å; T196-V199 PolarHBondContact O-N 2.66Å; V199-L202 PolarHBondContact O-N 3.08Å; V199-S203 VanDerWaalsContact O-CB 3.22Å; V199-S203 WeakPolarHBondContact O-CB 3.43Å; V199-S203 PolarHBondContact O-N 3.23Å; V199-S203 PolarHBondContact O-OG 3.25Å; V199-F350 HydrophobicContact CB-CE1 3.95Å; V199-F350 HydrophobicContact CB-CZ 3.83Å; V199-F350 HydrophobicContact CG1-CE1 3.86Å; V199-F350 HydrophobicContact CG1-CZ 4.26Å; V199-F350 HydrophobicContact CG2-CE1 4.22Å; V199-F350 HydrophobicContact CG2-CZ 3.81Å; V199-T353 HydrophobicContact CG1-CG2 3.9Å; V199-T353 WeakPolarHBondContact CG1-OG1 3.32Å; V199-F365 HydrophobicContact CG1-CD1 4.16Å; V199-F365 HydrophobicContact CG1-CE1 4.34Å; V199-F368 HydrophobicContact CG2-CE1 4.27Å; V199-I369 HydrophobicContact CG1-CD1 4.44Å
200	L	98.8	Very high	98.2	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-57.7	-50.2	173.3	-177.1	58.8	0	0	0	111.1	T196 P197 I198 S203 A204 C218 W220 P352 E354 M394 A397 Q398	T196-L200 WeakPolarHBondContact O-CB 3.46Å; T196-L200 PolarHBondContact O-N 2.94Å; P197-L200 PolarHBondContact O-N 2.88Å; I198-L200 VanDerWaalsContact C-N 3.33Å; I198-L200 PolarHBondContact O-N 3.46Å; L200-S203 PolarHBondContact O-N 3.32Å; L200-S203 PolarHBondContact O-OG 2.88Å; L200-A204 PolarHBondContact O-N 3.17Å; L200-C218 HydrophobicContact CD1-CB 3.89Å; L200-C218 HydrophobicContact CG-CB 4.19Å; L200-C218 PolarHBondContact O-SG 3.28Å; L200-W220 HydrophobicContact CD2-CB 3.96Å; L200-W220 HydrophobicContact CD2-CG 4.3Å; L200-P352 HydrophobicContact CB-CB 4.3Å; L200-P352 WeakPolarHBondContact CD1-O 3.46Å; L200-E354 HydrophobicContact CD1-CG 4.11Å; L200-M394 HydrophobicContact CD2-CE 3.86Å; L200-M394 HydrophobicContact CD2-SD 4.27Å; L200-A397 HydrophobicContact CB-CB 4.11Å; L200-A397 HydrophobicContact CD2-CB 3.93Å; L200-A397 HydrophobicContact CG-CB 4.11Å; L200-Q398 HydrophobicContact CD2-CG 4.06Å
201	A	98.8	Very high	98.3	Very high	1 Å²	1	1.1 Å²	1.1	1%	0.008	1%	0.006	C	C	.	.	H	α-helix	trans	-63.4	-43.7	177.4	0	0	0	0	0	112.6	P197 I198 S203 A204 A397 A402 F408 V446	P197-A201 PolarHBondContact O-N 2.87Å; I198-A201 PolarHBondContact O-N 3.05Å; A201-S203 VanDerWaalsContact C-N 3.29Å; A201-S203 PolarHBondContact O-N 2.95Å; A201-A204 WeakPolarHBondContact O-CB 3.06Å; A201-A397 HydrophobicContact CB-CB 4.19Å; A201-A402 HydrophobicContact CB-CB 4.32Å; A201-F408 HydrophobicContact CB-CE2 4.47Å; A201-F408 HydrophobicContact CB-CZ 3.89Å; A201-V446 HydrophobicContact CB-CG2 4.2Å
202	L	98.5	Very high	98.4	Very high	2 Å²	2	3.4 Å²	3.4	1%	0.01	2%	0.015	C	C	.	.	H	α-helix	trans	-61.8	-34.2	177.4	-79.2	164.8	0	0	0	113.8	I198 V199 F365 V403 V446 V450 I488 A492	I198-L202 HydrophobicContact CG2-CD1 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.3Å; I198-L202 WeakPolarHBondContact O-CG 3.4Å; I198-L202 PolarHBondContact O-N 2.65Å; V199-L202 PolarHBondContact O-N 3.08Å; L202-F365 HydrophobicContact CB-CE1 4.08Å; L202-F365 HydrophobicContact CB-CZ 4.35Å; L202-V403 HydrophobicContact CD2-CG2 4.05Å; L202-V446 HydrophobicContact CD1-CG1 4.07Å; L202-V446 HydrophobicContact CD2-CG1 3.38Å; L202-V446 HydrophobicContact CG-CG1 3.5Å; L202-V446 VanDerWaalsContact CG-CG1 3.5Å; L202-V450 HydrophobicContact CD1-CG2 3.72Å; L202-V450 HydrophobicContact CD2-CG2 4.27Å; L202-V450 HydrophobicContact CG-CG2 4.48Å; L202-I488 HydrophobicContact CD1-CG2 4.38Å; L202-A492 HydrophobicContact CD2-CB 3.75Å
203	S	98.8	Very high	98.5	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-94.7	-6.1	-172.9	63	0	0	0	0	113.6	V199 L200 A201 S205 E354 Q356	V199-S203 VanDerWaalsContact O-CB 3.22Å; V199-S203 WeakPolarHBondContact O-CB 3.43Å; V199-S203 PolarHBondContact O-N 3.23Å; V199-S203 PolarHBondContact O-OG 3.25Å; L200-S203 PolarHBondContact O-N 3.32Å; L200-S203 PolarHBondContact O-OG 2.88Å; A201-S203 VanDerWaalsContact C-N 3.29Å; A201-S203 PolarHBondContact O-N 2.95Å; S203-S205 PolarHBondContact O-N 3.17Å; S203-E354 WeakPolarHBondContact O-CB 3.2Å; S203-E354 PolarHBondContact OG-N 3.43Å; S203-Q356 PolarHBondContact O-NE2 3.4Å
204	A	98.8	Very high	98.5	Very high	4 Å²	4	3.4 Å²	3.4	3%	0.033	2%	0.015	C	C	.	.			trans	-29.2	117.7	-178.9	0	0	0	0	0	115	L200 A201 D217 T498 L499 A500	L200-A204 PolarHBondContact O-N 3.17Å; A201-A204 WeakPolarHBondContact O-CB 3.06Å; A204-D217 HydrophobicContact CB-CB 3.93Å; A204-T498 HydrophobicContact CB-CG2 4.18Å; A204-T498 WeakPolarHBondContact O-CB 3.39Å; A204-L499 PolarHBondContact O-N 2.67Å; A204-A500 HydrophobicContact CB-CB 4.06Å; A204-A500 WeakPolarHBondContact O-CB 3.33Å; A204-A500 PolarHBondContact O-N 2.97Å
205	S	98.5	Very high	98.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.			trans	-139.1	2.9	-173.8	78.8	0	0	0	0	114.5	G57 S203 P207 D217 E354 L355	G57-S205 VanDerWaalsContact CA-OG 3.23Å; G57-S205 WeakPolarHBondContact CA-OG 3.49Å; G57-S205 PolarHBondContact N-OG 3.24Å; G57-S205 VanDerWaalsContact N-OG 3.16Å; S203-S205 PolarHBondContact O-N 3.17Å; S205-P207 VanDerWaalsContact C-CD 3.5Å; S205-P207 WeakPolarHBondContact O-CD 3.2Å; S205-D217 PolarHBondContact N-O 3.25Å; S205-E354 WeakPolarHBondContact CA-OE2 3.32Å; S205-E354 WeakPolarHBondContact CB-OE2 3.46Å; S205-E354 PolarHBondContact N-OE2 3.04Å; S205-E354 WeakPolarHBondContact OG-CB 3.33Å; S205-E354 PolarHBondContact OG-OE2 3.2Å; S205-L355 WeakPolarHBondContact CB-O 3.16Å; S205-L355 PolarHBondContact OG-O 2.92Å
206	T	98.3	Very high	98.6	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.012	4%	0.036	C	C	.	.			trans	-127	72.7	-166.6	-47.8	0	0	0	0	113.1	G57 N58 F209 D217 R219 E354	G57-T206 WeakPolarHBondContact CA-OG1 3.48Å; N58-T206 HydrophobicContact CB-CG2 3.37Å; T206-F209 HydrophobicContact CG2-CE1 3.6Å; T206-F209 HydrophobicContact CG2-CE2 4.02Å; T206-F209 HydrophobicContact CG2-CZ 3.26Å; T206-F209 WeakPolarHBondContact O-CE2 3.21Å; T206-D217 CarbonylContact C-O 3.58Å; T206-D217 PolarHBondContact N-O 3.5Å; T206-D217 CarbonylContact O-C 3.3Å; T206-D217 VanDerWaalsContact O-C 3.31Å; T206-R219 HydrophobicContact CG2-CB 4.2Å; T206-E354 WeakPolarHBondContact CB-OE2 3.08Å; T206-E354 PolarHBondContact N-OE2 3.46Å; T206-E354 PolarHBondContact OG1-OE2 3.12Å
207	P	98.7	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.			trans	-96.2	-5.2	-176.9	36.9	-35.3	0	0	0	114.8	S205 A214 A500 M503	S205-P207 VanDerWaalsContact C-CD 3.5Å; S205-P207 WeakPolarHBondContact O-CD 3.2Å; P207-A214 PolarHBondContact O-N 3.25Å; P207-A500 HydrophobicContact CB-CB 4.11Å; P207-A500 HydrophobicContact CG-CB 4.11Å; P207-A500 WeakPolarHBondContact CG-O 3.46Å; P207-M503 HydrophobicContact CG-CB 3.75Å; P207-M503 HydrophobicContact CG-CE 4.26Å; P207-M503 HydrophobicContact CG-SD 4.14Å
208	I	98.7	Very high	98.6	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.1	-173.2	-57.2	159.3	0	0	0	109.9	N58 P60 Y212 L213 M503 V507 V519 M527	N58-I208 PolarHBondContact ND2-O 2.87Å; P60-I208 HydrophobicContact CB-CB 3.94Å; P60-I208 HydrophobicContact CB-CD1 4.15Å; P60-I208 HydrophobicContact CB-CG2 3.62Å; P60-I208 WeakPolarHBondContact O-CG2 3.3Å; I208-Y212 VanDerWaalsContact CA-O 3.31Å; I208-Y212 WeakPolarHBondContact CA-O 3.35Å; I208-Y212 WeakPolarHBondContact CG2-O 3.32Å; I208-L213 HydrophobicContact CD1-CD2 4.32Å; I208-L213 HydrophobicContact CG1-CD2 3.71Å; I208-M503 HydrophobicContact CD1-CE 4.04Å; I208-V507 HydrophobicContact CD1-CG2 3.91Å; I208-V519 HydrophobicContact CD1-CG1 4.46Å; I208-V519 HydrophobicContact CD1-CG2 4.07Å; I208-V519 HydrophobicContact CG1-CG2 4.12Å; I208-V519 HydrophobicContact CG2-CB 4.19Å; I208-V519 HydrophobicContact CG2-CG2 3.76Å; I208-M527 HydrophobicContact CD1-CE 3.83Å; I208-M527 HydrophobicContact CD1-SD 4.1Å
209	F	98.4	Very high	98.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.8	176.8	-63.3	-85.7	0	0	0	110.4	V117 I152 M154 T206 G211 Y212 A214 V216 I222	V117-F209 HydrophobicContact CG1-CD2 4.06Å; V117-F209 HydrophobicContact CG1-CE2 4.25Å; I152-F209 HydrophobicContact CD1-CB 4.41Å; M154-F209 HydrophobicContact CE-CB 4.02Å; M154-F209 HydrophobicContact CE-CD1 4.03Å; M154-F209 HydrophobicContact CE-CG 4.14Å; M154-F209 HydrophobicContact SD-CB 3.97Å; M154-F209 HydrophobicContact SD-CD1 4.25Å; M154-F209 HydrophobicContact SD-CG 4.48Å; T206-F209 HydrophobicContact CG2-CE1 3.6Å; T206-F209 HydrophobicContact CG2-CE2 4.02Å; T206-F209 HydrophobicContact CG2-CZ 3.26Å; T206-F209 WeakPolarHBondContact O-CE2 3.21Å; F209-G211 PolarHBondContact O-N 3.32Å; F209-Y212 PolarHBondContact N-O 3.48Å; F209-Y212 PolarHBondContact O-N 2.86Å; F209-A214 HydrophobicContact CD2-CB 3.74Å; F209-A214 HydrophobicContact CE2-CB 4.15Å; F209-V216 HydrophobicContact CE2-CG2 4.06Å; F209-I222 HydrophobicContact CD1-CG1 4.2Å; F209-I222 HydrophobicContact CD1-CG2 4.26Å; F209-I222 HydrophobicContact CE1-CB 4.04Å; F209-I222 HydrophobicContact CE1-CD1 3.97Å; F209-I222 HydrophobicContact CE1-CG1 3.6Å; F209-I222 HydrophobicContact CE1-CG2 3.9Å; F209-I222 HydrophobicContact CE2-CD1 3.97Å; F209-I222 HydrophobicContact CE2-CG1 4.26Å; F209-I222 HydrophobicContact CZ-CB 4.38Å; F209-I222 HydrophobicContact CZ-CD1 3.43Å; F209-I222 VanDerWaalsContact CZ-CD1 3.43Å; F209-I222 HydrophobicContact CZ-CG1 3.61Å
210	R	97.5	Very high	98.5	Very high	9 Å²	9	7.3 Å²	7.3	3%	0.034	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	38.5	177.1	-154.2	-169.8	63.8	-178.1	-16.4	113.9	P60 L62 C64 E131 I152 Y153 M154 F159 Y212	P60-R210 PolarHBondContact O-N 3.28Å; L62-R210 VanDerWaalsContact O-CA 3.3Å; L62-R210 WeakPolarHBondContact O-CA 3.34Å; L62-R210 WeakPolarHBondContact O-CG 3.26Å; C64-R210 PolarHBondContact SG-O 3.31Å; C64-R210 VanDerWaalsContact SG-O 3.33Å; E131-R210 IonicContact OE1-CZ 3.66Å; E131-R210 IonicContact OE1-NH1 3.8Å; E131-R210 IonicContact OE1-NH2 2.83Å; E131-R210 PolarHBondContact OE1-NH2 3.41Å; E131-R210 IonicContact OE2-CZ 2.71Å; E131-R210 IonicContact OE2-NH1 3.94Å; E131-R210 IonicContact OE2-NH2 3.87Å; E131-R210 PolarHBondContact OE2-NH2 2.7Å; I152-R210 HydrophobicContact CG2-CB 4.2Å; Y153-R210 PolarHBondContact O-NH1 2.78Å; M154-R210 HydrophobicContact CG-CB 4.46Å; F159-R210 HydrophobicContact CE1-CB 4.12Å; F159-R210 HydrophobicContact CE1-CG 3.98Å; F159-R210 HydrophobicContact CZ-CG 4.22Å; R210-Y212 WeakPolarHBondContact O-CD2 2.98Å; R210-Y212 WeakPolarHBondContact O-CE2 3.35Å
211	G	98.2	Very high	98.4	Very high	2 Å²	2	11 Å²	11	2%	0.021	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	17	179.3	0	0	0	0	0	115.2	P60 F209 V519	P60-G211 PolarHBondContact O-N 2.79Å; F209-G211 PolarHBondContact O-N 3.32Å; G211-V519 PolarHBondContact O-N 3.08Å
212	Y	98.8	Very high	98.4	Very high	48 Å²	48	11 Å²	11	19%	0.188	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.3	176.5	-61.4	-84	0	0	0	111.9	I119 F129 I152 I208 F209 R210 A214 S517 V518	I119-Y212 HydrophobicContact CD1-CD1 3.99Å; I119-Y212 HydrophobicContact CD1-CG 4.4Å; F129-Y212 HydrophobicContact CE2-CD1 4.26Å; F129-Y212 AromaticContact CE2-CE1 3.79Å; F129-Y212 HydrophobicContact CE2-CE1 3.79Å; F129-Y212 HydrophobicContact CZ-CD1 4.21Å; F129-Y212 AromaticContact CZ-CE1 3.82Å; F129-Y212 HydrophobicContact CZ-CE1 3.82Å; F129-Y212 HydrophobicContact CZ-CE2 4.46Å; F129-Y212 AromaticContact CZ-CZ 3.97Å; I152-Y212 HydrophobicContact CG1-CD2 4.37Å; I152-Y212 HydrophobicContact CG1-CG 4.25Å; I152-Y212 HydrophobicContact CG2-CD2 4.09Å; I208-Y212 VanDerWaalsContact CA-O 3.31Å; I208-Y212 WeakPolarHBondContact CA-O 3.35Å; I208-Y212 WeakPolarHBondContact CG2-O 3.32Å; F209-Y212 PolarHBondContact N-O 3.48Å; F209-Y212 PolarHBondContact O-N 2.86Å; R210-Y212 WeakPolarHBondContact O-CD2 2.98Å; R210-Y212 WeakPolarHBondContact O-CE2 3.35Å; Y212-A214 PolarHBondContact O-N 3.08Å; Y212-S517 CarbonylContact C-O 3.51Å; Y212-S517 VanDerWaalsContact CA-O 3.22Å; Y212-S517 WeakPolarHBondContact CA-O 3.43Å; Y212-V518 HydrophobicContact CD1-CG2 4.17Å; Y212-V518 HydrophobicContact CE1-CG2 3.86Å
213	L	98.8	Very high	98.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	126.6	164.8	-77.2	172	0	0	0	109.4	Y120 I208 R504 V507 Q508 Y513 S517 V519	Y120-L213 VanDerWaalsContact CB-O 3.27Å; Y120-L213 WeakPolarHBondContact CB-O 3.39Å; Y120-L213 HydrophobicContact CD1-CB 4.16Å; Y120-L213 HydrophobicContact CD1-CD1 4Å; Y120-L213 HydrophobicContact CG-CB 4.29Å; Y120-L213 PolarHBondContact N-O 3.14Å; I208-L213 HydrophobicContact CD1-CD2 4.32Å; I208-L213 HydrophobicContact CG1-CD2 3.71Å; L213-R504 HydrophobicContact CD2-CB 4.38Å; L213-R504 HydrophobicContact CD2-CG 4.13Å; L213-V507 HydrophobicContact CD1-CB 4.33Å; L213-V507 HydrophobicContact CD1-CG1 3.71Å; L213-V507 HydrophobicContact CD2-CB 4.43Å; L213-V507 HydrophobicContact CD2-CG1 4.44Å; L213-V507 HydrophobicContact CG-CG1 4.11Å; L213-Q508 HydrophobicContact CD1-CG 4.39Å; L213-Y513 HydrophobicContact CD1-CE2 4.29Å; L213-S517 PolarHBondContact N-O 3.06Å; L213-V519 HydrophobicContact CG-CG2 4.15Å
214	A	98.6	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-96.9	158.8	174.8	0	0	0	0	0	111.5	V117 P118 I152 P207 F209 Y212 V216 R504	V117-A214 HydrophobicContact CG1-CB 3.66Å; P118-A214 CarbonylContact O-C 3.44Å; P118-A214 WeakPolarHBondContact O-CA 3.17Å; I152-A214 HydrophobicContact CD1-CB 3.94Å; P207-A214 PolarHBondContact O-N 3.25Å; F209-A214 HydrophobicContact CD2-CB 3.74Å; F209-A214 HydrophobicContact CE2-CB 4.15Å; Y212-A214 PolarHBondContact O-N 3.08Å; A214-V216 HydrophobicContact CB-CG2 3.94Å; A214-V216 PolarHBondContact O-N 3.15Å; A214-R504 VanDerWaalsContact O-CZ 3.26Å; A214-R504 PolarHBondContact O-NH1 3.34Å; A214-R504 PolarHBondContact O-NH2 3.22Å
215	D	98.4	Very high	98.3	Very high	63 Å²	63	12.3 Å²	12.3	34%	0.337	7%	0.068	S	C	.	.	S	Bend	trans	-90.4	25.5	172.4	-153.1	35	0	0	0	112.4	P118 R400	P118-D215 HydrophobicContact CB-CB 4.08Å; P118-D215 PolarHBondContact O-N 3.36Å; D215-R400 PolarHBondContact O-N 2.89Å; D215-R400 WeakPolarHBondContact OD1-CD 3.37Å; D215-R400 IonicContact OD1-CZ 3.76Å; D215-R400 IonicContact OD1-NE 3.39Å; D215-R400 PolarHBondContact OD1-NE 2.83Å; D215-R400 IonicContact OD1-NH2 2.58Å
216	V	98.5	Very high	98.3	Very high	17 Å²	17	12.3 Å²	12.3	10%	0.103	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-131.8	157.5	170.5	-62.1	0	0	0	0	108.8	V117 F209 A214 I222 Q398 R504	V117-V216 HydrophobicContact CG1-CG2 3.49Å; V117-V216 VanDerWaalsContact CG1-CG2 3.49Å; F209-V216 HydrophobicContact CE2-CG2 4.06Å; A214-V216 HydrophobicContact CB-CG2 3.94Å; A214-V216 PolarHBondContact O-N 3.15Å; V216-I222 HydrophobicContact CG2-CD1 4.41Å; V216-Q398 CarbonylContact C-O 3.51Å; V216-Q398 WeakPolarHBondContact CA-O 3.37Å; V216-Q398 WeakPolarHBondContact CB-O 3.45Å; V216-R504 PolarHBondContact O-NH2 2.83Å
217	D	98.7	Very high	98.3	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	7%	0.067	C	C	.	.			trans	-119.6	2.8	-176.3	-74.8	-13.1	0	0	0	113.9	A204 S205 T206 Q398 R400 N401 A500 R504	A204-D217 HydrophobicContact CB-CB 3.93Å; S205-D217 PolarHBondContact N-O 3.25Å; T206-D217 CarbonylContact C-O 3.58Å; T206-D217 PolarHBondContact N-O 3.5Å; T206-D217 CarbonylContact O-C 3.3Å; T206-D217 VanDerWaalsContact O-C 3.31Å; D217-Q398 PolarHBondContact N-O 3.2Å; D217-R400 WeakPolarHBondContact OD2-CA 3.4Å; D217-N401 PolarHBondContact OD2-N 3.22Å; D217-A500 HydrophobicContact CB-CB 3.59Å; D217-R504 IonicContact OD1-CZ 3.33Å; D217-R504 IonicContact OD1-NE 2.65Å; D217-R504 IonicContact OD1-NH2 3.09Å; D217-R504 PolarHBondContact OD1-NH2 2.97Å
218	C	98.7	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.			trans	-134.2	152.7	-172.9	-66.3	0	0	0	0	111.7	L200 I222 A397 Q398	L200-C218 HydrophobicContact CD1-CB 3.89Å; L200-C218 HydrophobicContact CG-CB 4.19Å; L200-C218 PolarHBondContact O-SG 3.28Å; C218-I222 WeakPolarHBondContact O-CD1 3.43Å; C218-A397 PolarHBondContact SG-O 2.76Å; C218-Q398 HydrophobicContact CB-CB 4.23Å; C218-Q398 HydrophobicContact CB-CG 3.93Å
219	R	98.1	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-81.6	-13.5	-176	76.4	-159.7	-176.2	-75.5	-2.8	115.4	C163 C164 C165 T206 N221 I222 I223 R351 P352 T353 E354	C163-R219 HydrophobicContact CB-CB 4.18Å; C163-R219 HydrophobicContact CB-CG 4.49Å; C164-R219 VanDerWaalsContact O-CD 3.22Å; C164-R219 WeakPolarHBondContact O-CD 3.29Å; C164-R219 PolarHBondContact O-NE 2.81Å; C164-R219 VanDerWaalsContact O-NE 3.17Å; C165-R219 VanDerWaalsContact CB-CZ 3.44Å; T206-R219 HydrophobicContact CG2-CB 4.2Å; R219-N221 PolarHBondContact O-N 2.95Å; R219-I222 WeakPolarHBondContact O-CA 3.28Å; R219-I222 WeakPolarHBondContact O-CB 3.38Å; R219-I222 PolarHBondContact O-N 3.28Å; R219-I223 HydrophobicContact CB-CD1 4.33Å; R219-I223 HydrophobicContact CB-CG1 4.26Å; R219-I223 HydrophobicContact CG-CD1 3.62Å; R219-I223 HydrophobicContact CG-CG1 3.99Å; R219-I223 WeakPolarHBondContact O-CG1 3.49Å; R219-I223 PolarHBondContact O-N 3.33Å; R219-R351 PolarHBondContact NH2-O 2.75Å; R219-P352 PolarHBondContact NH1-O 3.48Å; R219-P352 PolarHBondContact NH2-O 2.8Å; R219-T353 PolarHBondContact NH1-O 3.41Å; R219-T353 PolarHBondContact NH2-O 2.92Å; R219-T353 VanDerWaalsContact NH2-O 3.08Å; R219-E354 WeakPolarHBondContact CB-OE1 3.24Å; R219-E354 VanDerWaalsContact CD-OE1 3.3Å; R219-E354 WeakPolarHBondContact CD-OE1 3.49Å; R219-E354 WeakPolarHBondContact CG-OE1 3.38Å; R219-E354 IonicContact CZ-OE1 2.69Å; R219-E354 PolarHBondContact N-OE1 3.3Å; R219-E354 IonicContact NE-OE1 3.23Å; R219-E354 VanDerWaalsContact NH1-CD 3.3Å; R219-E354 IonicContact NH1-OE1 3.3Å; R219-E354 PolarHBondContact NH1-OE1 3.38Å
220	W	98.3	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-53.3	-54.3	-160.4	-173.1	-92.1	0	0	0	114.4	L200 I222 I223 A224 Y252 D253 N331 P352 M394 Q398	L200-W220 HydrophobicContact CD2-CB 3.96Å; L200-W220 HydrophobicContact CD2-CG 4.3Å; W220-I222 VanDerWaalsContact C-N 3.27Å; W220-I222 PolarHBondContact O-N 3.09Å; W220-I223 PolarHBondContact O-N 2.9Å; W220-A224 WeakPolarHBondContact O-CB 3.44Å; W220-A224 PolarHBondContact O-N 3.22Å; W220-Y252 AromaticContact CD2-CE1 3.89Å; W220-Y252 HydrophobicContact CD2-CE1 3.89Å; W220-Y252 AromaticContact CE2-CE1 3.84Å; W220-Y252 AromaticContact CE3-CE1 3.92Å; W220-Y252 HydrophobicContact CE3-CE1 3.92Å; W220-Y252 AromaticContact CH2-CE1 3.74Å; W220-Y252 HydrophobicContact CH2-CE1 3.74Å; W220-Y252 HydrophobicContact CZ2-CD1 4.32Å; W220-Y252 AromaticContact CZ2-CE1 3.8Å; W220-Y252 HydrophobicContact CZ2-CE1 3.8Å; W220-Y252 AromaticContact CZ3-CE1 3.84Å; W220-Y252 HydrophobicContact CZ3-CE1 3.84Å; W220-Y252 AromaticContact CZ3-CZ 3.97Å; W220-Y252 WeakPolarHBondContact CZ3-OH 3.43Å; W220-D253 WeakPolarHBondContact CZ2-O 3.39Å; W220-N331 HydrophobicContact CH2-CB 3.58Å; W220-N331 VanDerWaalsContact CH2-N 3.32Å; W220-N331 HydrophobicContact CZ2-CB 3.82Å; W220-N331 HydrophobicContact CZ3-CB 4.29Å; W220-P352 HydrophobicContact CE3-CB 4.41Å; W220-P352 HydrophobicContact CZ3-CB 4.23Å; W220-M394 HydrophobicContact CD2-CE 3.46Å; W220-M394 VanDerWaalsContact CD2-CE 3.46Å; W220-M394 HydrophobicContact CE3-CE 4.04Å; W220-M394 HydrophobicContact CG-CE 3.81Å; W220-M394 HydrophobicContact CH2-CE 4.42Å; W220-M394 HydrophobicContact CZ2-CE 3.82Å; W220-M394 HydrophobicContact CZ3-CE 4.49Å; W220-Q398 HydrophobicContact CB-CG 4.22Å
221	N	97.1	Very high	98.3	Very high	77 Å²	77	15.8 Å²	15.8	41%	0.412	9%	0.086	S	C	.	.	H	α-helix	trans	-68.3	-27.4	179.6	-74.1	-8.7	0	0	0	112.9	R219 A224 G225 Q398	R219-N221 PolarHBondContact O-N 2.95Å; N221-A224 PolarHBondContact O-N 2.88Å; N221-G225 PolarHBondContact O-N 2.94Å; N221-Q398 VanDerWaalsContact CG-CD 3.41Å; N221-Q398 PolarHBondContact ND2-NE2 3.35Å; N221-Q398 VanDerWaalsContact ND2-NE2 3.18Å; N221-Q398 PolarHBondContact ND2-OE1 3.09Å; N221-Q398 PolarHBondContact OD1-NE2 3Å; N221-Q398 PolarHBondContact OD1-OE1 3.15Å
222	I	98.2	Very high	98.2	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.015	10%	0.102	C	C	.	.	H	α-helix	trans	-68.1	-45.6	176.7	-63.1	82.7	0	0	0	108.9	I115 V117 M154 F159 F209 V216 C218 R219 W220 G225 S226	I115-I222 HydrophobicContact CD1-CG2 4.4Å; I115-I222 HydrophobicContact CG2-CB 4.4Å; I115-I222 HydrophobicContact CG2-CG1 4.35Å; I115-I222 HydrophobicContact CG2-CG2 4.22Å; V117-I222 HydrophobicContact CG2-CD1 4.05Å; V117-I222 HydrophobicContact CG2-CG1 3.49Å; V117-I222 VanDerWaalsContact CG2-CG1 3.49Å; M154-I222 HydrophobicContact CE-CG1 4.27Å; M154-I222 HydrophobicContact CE-CG2 3.95Å; F159-I222 WeakPolarHBondContact O-CG2 3.35Å; F209-I222 HydrophobicContact CD1-CG1 4.2Å; F209-I222 HydrophobicContact CD1-CG2 4.26Å; F209-I222 HydrophobicContact CE1-CB 4.04Å; F209-I222 HydrophobicContact CE1-CD1 3.97Å; F209-I222 HydrophobicContact CE1-CG1 3.6Å; F209-I222 HydrophobicContact CE1-CG2 3.9Å; F209-I222 HydrophobicContact CE2-CD1 3.97Å; F209-I222 HydrophobicContact CE2-CG1 4.26Å; F209-I222 HydrophobicContact CZ-CB 4.38Å; F209-I222 HydrophobicContact CZ-CD1 3.43Å; F209-I222 VanDerWaalsContact CZ-CD1 3.43Å; F209-I222 HydrophobicContact CZ-CG1 3.61Å; V216-I222 HydrophobicContact CG2-CD1 4.41Å; C218-I222 WeakPolarHBondContact O-CD1 3.43Å; R219-I222 WeakPolarHBondContact O-CA 3.28Å; R219-I222 WeakPolarHBondContact O-CB 3.38Å; R219-I222 PolarHBondContact O-N 3.28Å; W220-I222 VanDerWaalsContact C-N 3.27Å; W220-I222 PolarHBondContact O-N 3.09Å; I222-G225 PolarHBondContact O-N 2.85Å; I222-S226 VanDerWaalsContact O-CB 3.32Å; I222-S226 WeakPolarHBondContact O-CB 3.43Å; I222-S226 PolarHBondContact O-N 2.98Å
223	I	98.3	Very high	98.1	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.041	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-45	174.4	-45.6	-169.3	0	0	0	110.8	G160 M161 C163 R219 W220 G225 S226 V227 Y252	G160-I223 WeakPolarHBondContact O-CG1 3.29Å; M161-I223 HydrophobicContact CE-CG2 4.23Å; M161-I223 HydrophobicContact CG-CG2 4.35Å; M161-I223 HydrophobicContact SD-CG2 4.08Å; C163-I223 HydrophobicContact CB-CD1 4.08Å; C163-I223 HydrophobicContact CB-CG1 4.43Å; R219-I223 HydrophobicContact CB-CD1 4.33Å; R219-I223 HydrophobicContact CB-CG1 4.26Å; R219-I223 HydrophobicContact CG-CD1 3.62Å; R219-I223 HydrophobicContact CG-CG1 3.99Å; R219-I223 WeakPolarHBondContact O-CG1 3.49Å; R219-I223 PolarHBondContact O-N 3.33Å; W220-I223 PolarHBondContact O-N 2.9Å; I223-G225 VanDerWaalsContact C-N 3.29Å; I223-G225 PolarHBondContact O-N 3.39Å; I223-S226 WeakPolarHBondContact CA-OG 3.46Å; I223-S226 PolarHBondContact O-N 2.88Å; I223-S226 PolarHBondContact O-OG 2.83Å; I223-V227 PolarHBondContact O-N 2.66Å; I223-Y252 HydrophobicContact CB-CD1 4.37Å; I223-Y252 HydrophobicContact CB-CD2 4.28Å; I223-Y252 HydrophobicContact CB-CE1 3.94Å; I223-Y252 HydrophobicContact CB-CE2 3.86Å; I223-Y252 HydrophobicContact CG2-CD1 4.42Å; I223-Y252 HydrophobicContact CG2-CD2 3.49Å; I223-Y252 VanDerWaalsContact CG2-CD2 3.49Å; I223-Y252 HydrophobicContact CG2-CE1 4.19Å; I223-Y252 HydrophobicContact CG2-CE2 3.21Å; I223-Y252 HydrophobicContact CG2-CG 4.13Å
224	A	98.4	Very high	98	Very high	8 Å²	8	17 Å²	17	7%	0.066	10%	0.099	C	C	.	.	H	α-helix	trans	-51.7	-47.9	176.9	0	0	0	0	0	112.4	W220 N221 D228 S250 Y252	W220-A224 WeakPolarHBondContact O-CB 3.44Å; W220-A224 PolarHBondContact O-N 3.22Å; N221-A224 PolarHBondContact O-N 2.88Å; A224-D228 PolarHBondContact O-N 3.26Å; A224-S250 WeakPolarHBondContact O-CB 3.45Å; A224-S250 PolarHBondContact O-OG 3.41Å; A224-Y252 WeakPolarHBondContact CA-O 3.11Å; A224-Y252 HydrophobicContact CB-CD1 3.93Å; A224-Y252 WeakPolarHBondContact CB-O 3.48Å
225	G	98	Very high	97.9	Very high	16 Å²	16	20.4 Å²	20.4	17%	0.165	11%	0.112	C	C	.	.	H	α-helix	trans	-70.1	-33.6	177.1	0	0	0	0	0	113.6	V113 N221 I222 I223 V227 D228	V113-G225 WeakPolarHBondContact CB-O 3.49Å; N221-G225 PolarHBondContact O-N 2.94Å; I222-G225 PolarHBondContact O-N 2.85Å; I223-G225 VanDerWaalsContact C-N 3.29Å; I223-G225 PolarHBondContact O-N 3.39Å; G225-V227 PolarHBondContact O-N 3.42Å; G225-D228 PolarHBondContact O-N 3.35Å
226	S	98.2	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-18.4	-177.1	78.6	0	0	0	0	114.8	M157 G160 I222 I223	M157-S226 VanDerWaalsContact CA-O 3.28Å; M157-S226 WeakPolarHBondContact CA-O 3.23Å; G160-S226 WeakPolarHBondContact CA-OG 3.49Å; I222-S226 VanDerWaalsContact O-CB 3.32Å; I222-S226 WeakPolarHBondContact O-CB 3.43Å; I222-S226 PolarHBondContact O-N 2.98Å; I223-S226 WeakPolarHBondContact CA-OG 3.46Å; I223-S226 PolarHBondContact O-N 2.88Å; I223-S226 PolarHBondContact O-OG 2.83Å
227	V	98.3	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	20	177.6	-63.1	0	0	0	0	112.6	I105 M157 M161 I223 G225 D229 Y252 W329	I105-V227 HydrophobicContact CD1-CB 3.88Å; I105-V227 HydrophobicContact CD1-CG1 3.87Å; M157-V227 HydrophobicContact CE-CG1 3.82Å; M157-V227 HydrophobicContact CG-CG1 3.86Å; M157-V227 HydrophobicContact SD-CG1 4.2Å; M161-V227 HydrophobicContact CE-CB 4.37Å; M161-V227 HydrophobicContact CE-CG1 3.6Å; M161-V227 HydrophobicContact CE-CG2 3.99Å; M161-V227 HydrophobicContact CG-CG1 3.68Å; I223-V227 PolarHBondContact O-N 2.66Å; G225-V227 PolarHBondContact O-N 3.42Å; V227-D229 PolarHBondContact O-N 2.63Å; V227-Y252 VanDerWaalsContact CG2-CB 3.48Å; V227-Y252 HydrophobicContact CG2-CD2 4.29Å; V227-Y252 HydrophobicContact CG2-CG 4.24Å; V227-W329 HydrophobicContact CB-CE3 4.43Å; V227-W329 HydrophobicContact CB-CZ3 3.89Å; V227-W329 HydrophobicContact CG1-CZ3 4.34Å; V227-W329 HydrophobicContact CG2-CE3 3.77Å; V227-W329 HydrophobicContact CG2-CZ3 3.74Å
228	D	98.4	Very high	97.4	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.059	16%	0.162	C	C	.	.			trans	-72.8	99.4	174.1	-177.3	14.1	0	0	0	109.3	R109 A224 G225 R230 S250	R109-D228 WeakPolarHBondContact CD-O 3.23Å; R109-D228 IonicContact CZ-OD2 2.6Å; R109-D228 PolarHBondContact NH1-O 3.34Å; R109-D228 IonicContact NH1-OD1 3.65Å; R109-D228 IonicContact NH1-OD2 3.89Å; R109-D228 PolarHBondContact NH1-OD2 3.33Å; R109-D228 IonicContact NH2-OD2 3.41Å; A224-D228 PolarHBondContact O-N 3.26Å; G225-D228 PolarHBondContact O-N 3.35Å; D228-R230 VanDerWaalsContact C-N 3.32Å; D228-R230 VanDerWaalsContact OD1-CB 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.47Å; D228-R230 WeakPolarHBondContact OD1-CG 3.24Å; D228-R230 IonicContact OD1-CZ 2.78Å; D228-R230 PolarHBondContact OD1-N 3.39Å; D228-R230 IonicContact OD1-NE 3.13Å; D228-R230 PolarHBondContact OD1-NE 2.84Å; D228-R230 IonicContact OD1-NH2 3.75Å; D228-R230 IonicContact OD2-CZ 3.2Å; D228-R230 IonicContact OD2-NE 3.91Å; D228-R230 PolarHBondContact OD2-NE 3.16Å; D228-R230 IonicContact OD2-NH2 2.74Å; D228-R230 PolarHBondContact OD2-NH2 3.18Å; D228-S250 WeakPolarHBondContact CA-OG 3.49Å
229	D	98.1	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.199	C	C	.	.			trans	-89.9	2.9	-178.4	66.9	-21.5	0	0	0	113.2	I105 R108 R109 V227 T231 R251 L303	I105-D229 HydrophobicContact CB-CB 4.41Å; I105-D229 HydrophobicContact CG1-CB 4.3Å; I105-D229 HydrophobicContact CG2-CB 4.01Å; R108-D229 WeakPolarHBondContact CD-OD2 3.32Å; R108-D229 IonicContact CZ-OD2 3.61Å; R108-D229 IonicContact NE-OD2 2.7Å; R108-D229 PolarHBondContact NH1-O 3.02Å; R108-D229 IonicContact NH1-OD1 3.92Å; R108-D229 IonicContact NH1-OD2 3.59Å; R109-D229 WeakPolarHBondContact CA-O 3.23Å; V227-D229 PolarHBondContact O-N 2.63Å; D229-T231 PolarHBondContact O-N 3.42Å; D229-R251 IonicContact OD2-CZ 2.73Å; D229-R251 IonicContact OD2-NH1 2.68Å; D229-R251 PolarHBondContact OD2-NH1 3.49Å; D229-L303 HydrophobicContact CB-CD2 4.44Å
230	R	97.9	Very high	97.2	Very high	38 Å²	38	35.2 Å²	35.2	14%	0.143	21%	0.214	C	C	.	.			trans	-63	123.8	-176.9	-65.2	177.7	-65.9	172.9	1.8	112.3	D228 E234 R235 L247 T248 K249	D228-R230 VanDerWaalsContact C-N 3.32Å; D228-R230 VanDerWaalsContact OD1-CB 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.47Å; D228-R230 WeakPolarHBondContact OD1-CG 3.24Å; D228-R230 IonicContact OD1-CZ 2.78Å; D228-R230 PolarHBondContact OD1-N 3.39Å; D228-R230 IonicContact OD1-NE 3.13Å; D228-R230 PolarHBondContact OD1-NE 2.84Å; D228-R230 IonicContact OD1-NH2 3.75Å; D228-R230 IonicContact OD2-CZ 3.2Å; D228-R230 IonicContact OD2-NE 3.91Å; D228-R230 PolarHBondContact OD2-NE 3.16Å; D228-R230 IonicContact OD2-NH2 2.74Å; D228-R230 PolarHBondContact OD2-NH2 3.18Å; R230-E234 VanDerWaalsContact CA-OE2 3.29Å; R230-E234 WeakPolarHBondContact CA-OE2 3.37Å; R230-E234 HydrophobicContact CB-CB 4.09Å; R230-E234 HydrophobicContact CG-CB 4.42Å; R230-R235 HydrophobicContact CB-CG 3.65Å; R230-R235 PolarHBondContact O-NE 3.23Å; R230-L247 VanDerWaalsContact CD-O 3.24Å; R230-L247 WeakPolarHBondContact CD-O 3.44Å; R230-L247 HydrophobicContact CG-CB 4.09Å; R230-L247 HydrophobicContact CG-CD1 4.3Å; R230-L247 PolarHBondContact NH1-O 3.49Å; R230-T248 VanDerWaalsContact NH1-C 3.26Å; R230-T248 PolarHBondContact NH1-O 2.84Å; R230-K249 WeakPolarHBondContact CD-O 3.41Å
231	T	97.5	Very high	96.9	Very high	37 Å²	37	38.6 Å²	38.6	23%	0.227	24%	0.236	C	C	.	.			trans	-59.1	162.8	170.3	62.5	0	0	0	0	111.5	R108 D229 A233 E234 R235	R108-T231 WeakPolarHBondContact O-CG2 3.37Å; D229-T231 PolarHBondContact O-N 3.42Å; T231-A233 PolarHBondContact O-N 3.37Å; T231-E234 WeakPolarHBondContact CG2-OE2 3.34Å; T231-E234 PolarHBondContact N-OE2 2.84Å; T231-E234 PolarHBondContact O-N 3.25Å; T231-E234 VanDerWaalsContact OG1-CG 3.25Å; T231-E234 WeakPolarHBondContact OG1-CG 3.45Å; T231-E234 PolarHBondContact OG1-N 2.89Å; T231-E234 PolarHBondContact OG1-OE2 2.79Å; T231-R235 WeakPolarHBondContact O-CG 3.44Å; T231-R235 PolarHBondContact O-N 3.37Å; T231-R235 VanDerWaalsContact O-N 3.11Å; T231-R235 PolarHBondContact O-NE 3.26Å
232	P	96.6	Very high	96.6	Very high	55 Å²	55	42.3 Å²	42.3	36%	0.357	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-39.5	171.2	-28	36.1	0	0	0	113.1	R235 G236 L237 A238	P232-R235 CarbonylContact O-C 3.51Å; P232-R235 PolarHBondContact O-N 2.98Å; P232-G236 PolarHBondContact O-N 3.32Å; P232-L237 HydrophobicContact CB-CB 4.16Å; P232-L237 WeakPolarHBondContact O-CA 3.26Å; P232-L237 WeakPolarHBondContact O-CB 3.46Å; P232-L237 PolarHBondContact O-N 3.45Å; P232-A238 HydrophobicContact CB-CB 4.16Å; P232-A238 PolarHBondContact O-N 2.81Å
233	A	96.9	Very high	96.1	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-46.2	179.7	0	0	0	0	0	112.9	T231 R235 G236 A238 P239 L240 H246	T231-A233 PolarHBondContact O-N 3.37Å; A233-R235 PolarHBondContact O-N 2.57Å; A233-G236 PolarHBondContact O-N 2.87Å; A233-A238 WeakPolarHBondContact CA-O 3.23Å; A233-A238 HydrophobicContact CB-CB 4.25Å; A233-P239 VanDerWaalsContact CB-O 3.31Å; A233-P239 WeakPolarHBondContact CB-O 3.43Å; A233-L240 HydrophobicContact CB-CD1 4.42Å; A233-H246 PolarHBondContact O-CE1 3.15Å; A233-H246 VanDerWaalsContact O-CE1 3.31Å; A233-H246 PolarHBondContact O-ND1 3.48Å; A233-H246 VanDerWaalsContact O-ND1 3.14Å
234	E	97.4	Very high	95.8	Very high	11 Å²	11	47.3 Å²	47.3	5%	0.051	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.3	176.2	-69	168.7	126.3	0	0	112	R108 R230 T231 G236 F245 L247	R108-E234 IonicContact CZ-OE1 2.74Å; R108-E234 IonicContact CZ-OE2 3.45Å; R108-E234 IonicContact NH1-OE1 2.91Å; R108-E234 PolarHBondContact NH1-OE1 2.82Å; R108-E234 IonicContact NH1-OE2 3.33Å; R108-E234 PolarHBondContact NH1-OE2 2.9Å; R108-E234 IonicContact NH2-OE1 3.63Å; R108-E234 PolarHBondContact NH2-OE1 3.48Å; R108-E234 IonicContact NH2-OE2 3.43Å; R230-E234 VanDerWaalsContact CA-OE2 3.29Å; R230-E234 WeakPolarHBondContact CA-OE2 3.37Å; R230-E234 HydrophobicContact CB-CB 4.09Å; R230-E234 HydrophobicContact CG-CB 4.42Å; T231-E234 WeakPolarHBondContact CG2-OE2 3.34Å; T231-E234 PolarHBondContact N-OE2 2.84Å; T231-E234 PolarHBondContact O-N 3.25Å; T231-E234 VanDerWaalsContact OG1-CG 3.25Å; T231-E234 WeakPolarHBondContact OG1-CG 3.45Å; T231-E234 PolarHBondContact OG1-N 2.89Å; T231-E234 PolarHBondContact OG1-OE2 2.79Å; E234-G236 VanDerWaalsContact C-N 3.3Å; E234-F245 WeakPolarHBondContact CG-O 3.31Å; E234-L247 HydrophobicContact CB-CB 4.4Å; E234-L247 HydrophobicContact CB-CD1 4.27Å; E234-L247 HydrophobicContact CB-CG 4.35Å; E234-L247 HydrophobicContact CG-CD1 4.13Å; E234-L247 HydrophobicContact CG-CG 4.48Å; E234-L247 PolarHBondContact O-N 3.32Å; E234-L247 VanDerWaalsContact OE1-CD1 3.26Å; E234-L247 WeakPolarHBondContact OE1-CD1 3.42Å
235	R	96	Very high	95.6	Very high	70 Å²	70	49.1 Å²	49.1	26%	0.264	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2	173.8	-69.3	-176	-78.6	141	-3.8	114.3	R230 T231 P232 A233 L237	R230-R235 HydrophobicContact CB-CG 3.65Å; R230-R235 PolarHBondContact O-NE 3.23Å; T231-R235 WeakPolarHBondContact O-CG 3.44Å; T231-R235 PolarHBondContact O-N 3.37Å; T231-R235 VanDerWaalsContact O-N 3.11Å; T231-R235 PolarHBondContact O-NE 3.26Å; P232-R235 CarbonylContact O-C 3.51Å; P232-R235 PolarHBondContact O-N 2.98Å; A233-R235 PolarHBondContact O-N 2.57Å; R235-L237 VanDerWaalsContact C-N 3.35Å; R235-L237 HydrophobicContact CB-CD1 4.2Å; R235-L237 HydrophobicContact CB-CG 4.13Å
236	G	95	Very high	95.4	Very high	51 Å²	51	53.1 Å²	53.1	53%	0.526	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	17.5	-178.4	0	0	0	0	0	114.6	P232 A233 E234	P232-G236 PolarHBondContact O-N 3.32Å; A233-G236 PolarHBondContact O-N 2.87Å; E234-G236 VanDerWaalsContact C-N 3.3Å
237	L	94.6	Very high	95.3	Very high	123 Å²	123	53.3 Å²	53.3	64%	0.644	33%	0.33	S	S	*	.	S	Bend	trans	-95	-9.6	179.1	-54.9	175.4	0	0	0	112.9	P232 R235	P232-L237 HydrophobicContact CB-CB 4.16Å; P232-L237 WeakPolarHBondContact O-CA 3.26Å; P232-L237 WeakPolarHBondContact O-CB 3.46Å; P232-L237 PolarHBondContact O-N 3.45Å; R235-L237 VanDerWaalsContact C-N 3.35Å; R235-L237 HydrophobicContact CB-CD1 4.2Å; R235-L237 HydrophobicContact CB-CG 4.13Å
238	A	95.8	Very high	95	Very high	41 Å²	41	58.6 Å²	58.6	34%	0.339	36%	0.362	S	S	.	.	S	Bend	trans	-146.5	163.1	177.2	0	0	0	0	0	110	P232 A233 L240	P232-A238 HydrophobicContact CB-CB 4.16Å; P232-A238 PolarHBondContact O-N 2.81Å; A233-A238 WeakPolarHBondContact CA-O 3.23Å; A233-A238 HydrophobicContact CB-CB 4.25Å; A238-L240 PolarHBondContact O-N 2.81Å
239	P	96.5	Very high	94.9	Very high	122 Å²	122	59 Å²	59	79%	0.792	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-56.6	137.4	174.8	-24.9	35	0	0	0	112.1	A233 P241	A233-P239 VanDerWaalsContact CB-O 3.31Å; A233-P239 WeakPolarHBondContact CB-O 3.43Å; P239-P241 WeakPolarHBondContact O-CD 3.28Å
240	L	95.1	Very high	94.9	Very high	59 Å²	59	59.3 Å²	59.3	31%	0.309	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-77.8	122.3	-178.1	-168.6	65.2	0	0	0	111	A233 A238 S244 H246	A233-L240 HydrophobicContact CB-CD1 4.42Å; A238-L240 PolarHBondContact O-N 2.81Å; L240-S244 WeakPolarHBondContact CD2-O 3.42Å; L240-H246 VanDerWaalsContact CD2-CD2 3.49Å; L240-H246 WeakPolarHBondContact CD2-CD2 3.49Å
241	P	93.1	Very high	94.9	Very high	71 Å²	71	57.6 Å²	57.6	46%	0.461	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-62.5	152.5	174.3	-21.4	32.9	0	0	0	112.1	P239 G243 S244	P239-P241 WeakPolarHBondContact O-CD 3.28Å; P241-G243 PolarHBondContact O-N 2.87Å; P241-S244 WeakPolarHBondContact O-CB 3.18Å; P241-S244 PolarHBondContact O-N 2.88Å
242	T	91.2	Very high	94.9	Very high	154 Å²	154	56.2 Å²	56.2	95%	0.945	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	131.8	174.6	-51.9	0	0	0	0	110.8	S244	T242-S244 VanDerWaalsContact C-N 3.26Å; T242-S244 PolarHBondContact O-N 3.4Å
243	G	86.3	Confident	94.9	Very high	69 Å²	69	55.2 Å²	55.2	71%	0.711	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	0.4	-178.7	0	0	0	0	0	115	P241	P241-G243 PolarHBondContact O-N 2.87Å
244	S	91.9	Very high	95	Very high	47 Å²	47	54.8 Å²	54.8	33%	0.329	34%	0.338	S	S	.	.			trans	-90.8	166.5	171.5	-59.7	0	0	0	0	111.5	L240 P241 T242	L240-S244 WeakPolarHBondContact CD2-O 3.42Å; P241-S244 WeakPolarHBondContact O-CB 3.18Å; P241-S244 PolarHBondContact O-N 2.88Å; T242-S244 VanDerWaalsContact C-N 3.26Å; T242-S244 PolarHBondContact O-N 3.4Å
245	F	94.5	Very high	95	Very high	47 Å²	47	54.3 Å²	54.3	21%	0.206	34%	0.336	C	S	.	.			trans	-118.8	145.3	-179.1	-57.4	-86.9	0	0	0	111.2	E234 L247 C272 D274 T299	E234-F245 WeakPolarHBondContact CG-O 3.31Å; F245-L247 HydrophobicContact CB-CD2 3.82Å; F245-L247 HydrophobicContact CB-CG 4.27Å; F245-L247 PolarHBondContact O-N 3.1Å; F245-C272 HydrophobicContact CB-CB 4.47Å; F245-C272 HydrophobicContact CD1-CB 4.23Å; F245-D274 HydrophobicContact CZ-CB 3.92Å; F245-T299 HydrophobicContact CD1-CG2 4.12Å; F245-T299 HydrophobicContact CD2-CG2 3.97Å; F245-T299 HydrophobicContact CE1-CG2 4.18Å; F245-T299 HydrophobicContact CE2-CG2 4.06Å; F245-T299 HydrophobicContact CG-CG2 4.01Å; F245-T299 HydrophobicContact CZ-CG2 4.16Å
246	H	94.5	Very high	95	Very high	100 Å²	100	51.8 Å²	51.8	46%	0.463	33%	0.328	S	S	.	.			trans	-77.6	117	163.3	-78.4	-56.5	0	0	0	109.1	A233 L240	A233-H246 PolarHBondContact O-CE1 3.15Å; A233-H246 VanDerWaalsContact O-CE1 3.31Å; A233-H246 PolarHBondContact O-ND1 3.48Å; A233-H246 VanDerWaalsContact O-ND1 3.14Å; L240-H246 VanDerWaalsContact CD2-CD2 3.49Å; L240-H246 WeakPolarHBondContact CD2-CD2 3.49Å
247	L	95.5	Very high	95.2	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	30%	0.304	C	S	.	.			trans	-109	105.5	-172.3	-59.6	175.1	0	0	0	109.4	R230 E234 F245 K249 C272 R300	R230-L247 VanDerWaalsContact CD-O 3.24Å; R230-L247 WeakPolarHBondContact CD-O 3.44Å; R230-L247 HydrophobicContact CG-CB 4.09Å; R230-L247 HydrophobicContact CG-CD1 4.3Å; R230-L247 PolarHBondContact NH1-O 3.49Å; E234-L247 HydrophobicContact CB-CB 4.4Å; E234-L247 HydrophobicContact CB-CD1 4.27Å; E234-L247 HydrophobicContact CB-CG 4.35Å; E234-L247 HydrophobicContact CG-CD1 4.13Å; E234-L247 HydrophobicContact CG-CG 4.48Å; E234-L247 PolarHBondContact O-N 3.32Å; E234-L247 VanDerWaalsContact OE1-CD1 3.26Å; E234-L247 WeakPolarHBondContact OE1-CD1 3.42Å; F245-L247 HydrophobicContact CB-CD2 3.82Å; F245-L247 HydrophobicContact CB-CG 4.27Å; F245-L247 PolarHBondContact O-N 3.1Å; L247-K249 VanDerWaalsContact C-N 3.27Å; L247-K249 PolarHBondContact O-N 3.43Å; L247-C272 VanDerWaalsContact CD2-SG 3.57Å; L247-R300 VanDerWaalsContact CD1-NH1 3.29Å
248	T	92.9	Very high	95.3	Very high	112 Å²	112	43.8 Å²	43.8	69%	0.687	27%	0.273	S	S	*	.	S	Bend	trans	-67.2	-29	-176.8	53.8	0	0	0	0	112.9	R230	R230-T248 VanDerWaalsContact NH1-C 3.26Å; R230-T248 PolarHBondContact NH1-O 2.84Å
249	K	96	Very high	95.4	Very high	19 Å²	19	41.8 Å²	41.8	8%	0.083	26%	0.257	C	S	.	.	S	Bend	trans	-124	154.7	-176	-66.3	-172.6	-57.7	175.7	0	112.6	R230 L247 D253 S254 T255 D256 R300	R230-K249 WeakPolarHBondContact CD-O 3.41Å; L247-K249 VanDerWaalsContact C-N 3.27Å; L247-K249 PolarHBondContact O-N 3.43Å; K249-D253 HydrophobicContact CB-CB 3.83Å; K249-D253 WeakPolarHBondContact CB-OD2 3.49Å; K249-D253 HydrophobicContact CD-CB 3.96Å; K249-D253 HydrophobicContact CG-CB 4.3Å; K249-D253 WeakPolarHBondContact CG-OD2 3.22Å; K249-S254 PolarHBondContact NZ-O 3.27Å; K249-T255 PolarHBondContact NZ-O 2.89Å; K249-D256 VanDerWaalsContact CE-CG 3.5Å; K249-D256 WeakPolarHBondContact CE-OD1 3.42Å; K249-D256 WeakPolarHBondContact CE-OD2 3.22Å; K249-D256 IonicContact NZ-OD1 2.75Å; K249-D256 PolarHBondContact NZ-OD1 2.69Å; K249-D256 IonicContact NZ-OD2 3.83Å; K249-D256 PolarHBondContact NZ-OD2 3.36Å; K249-R300 PolarHBondContact O-NH1 3.06Å; K249-R300 VanDerWaalsContact O-NH1 3.16Å; K249-R300 PolarHBondContact O-NH2 2.86Å
250	S	97.7	Very high	95.2	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	23%	0.225	C	C	.	.			trans	-59.7	158.2	165.6	173.8	0	0	0	0	109.6	A224 D228 Y252	A224-S250 WeakPolarHBondContact O-CB 3.45Å; A224-S250 PolarHBondContact O-OG 3.41Å; D228-S250 WeakPolarHBondContact CA-OG 3.49Å; S250-Y252 VanDerWaalsContact CB-O 3.31Å; S250-Y252 WeakPolarHBondContact CB-O 3.4Å; S250-Y252 PolarHBondContact O-N 2.91Å; S250-Y252 PolarHBondContact OG-N 3.31Å; S250-Y252 PolarHBondContact OG-O 3.48Å
251	R	97.5	Very high	95.1	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	23%	0.229	C	C	.	.	S	Bend	trans	-65.6	-15.6	169.8	69	-168.1	-57.7	147.9	5.1	112.6	D229 R300 D301 S327 N328 W329	D229-R251 IonicContact OD2-CZ 2.73Å; D229-R251 IonicContact OD2-NH1 2.68Å; D229-R251 PolarHBondContact OD2-NH1 3.49Å; R251-R300 HydrophobicContact CB-CG 4.29Å; R251-D301 PolarHBondContact NH1-O 3.42Å; R251-D301 PolarHBondContact NH2-O 3.04Å; R251-D301 VanDerWaalsContact NH2-O 3.15Å; R251-S327 PolarHBondContact NE-O 3.14Å; R251-S327 PolarHBondContact NH2-OG 3.23Å; R251-N328 CarbonylContact O-C 3.58Å; R251-N328 WeakPolarHBondContact O-CA 3.46Å; R251-W329 HydrophobicContact CG-CE3 3.93Å; R251-W329 HydrophobicContact CG-CZ3 3.74Å; R251-W329 PolarHBondContact O-N 2.8Å
252	Y	98.3	Very high	94.9	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106.3	162.5	-173.4	-58.7	0	0	0	108.6	M161 W220 I223 A224 V227 S250 W329	M161-Y252 HydrophobicContact CE-CD2 4.1Å; W220-Y252 AromaticContact CD2-CE1 3.89Å; W220-Y252 HydrophobicContact CD2-CE1 3.89Å; W220-Y252 AromaticContact CE2-CE1 3.84Å; W220-Y252 AromaticContact CE3-CE1 3.92Å; W220-Y252 HydrophobicContact CE3-CE1 3.92Å; W220-Y252 AromaticContact CH2-CE1 3.74Å; W220-Y252 HydrophobicContact CH2-CE1 3.74Å; W220-Y252 HydrophobicContact CZ2-CD1 4.32Å; W220-Y252 AromaticContact CZ2-CE1 3.8Å; W220-Y252 HydrophobicContact CZ2-CE1 3.8Å; W220-Y252 AromaticContact CZ3-CE1 3.84Å; W220-Y252 HydrophobicContact CZ3-CE1 3.84Å; W220-Y252 AromaticContact CZ3-CZ 3.97Å; W220-Y252 WeakPolarHBondContact CZ3-OH 3.43Å; I223-Y252 HydrophobicContact CB-CD1 4.37Å; I223-Y252 HydrophobicContact CB-CD2 4.28Å; I223-Y252 HydrophobicContact CB-CE1 3.94Å; I223-Y252 HydrophobicContact CB-CE2 3.86Å; I223-Y252 HydrophobicContact CG2-CD1 4.42Å; I223-Y252 HydrophobicContact CG2-CD2 3.49Å; I223-Y252 VanDerWaalsContact CG2-CD2 3.49Å; I223-Y252 HydrophobicContact CG2-CE1 4.19Å; I223-Y252 HydrophobicContact CG2-CE2 3.21Å; I223-Y252 HydrophobicContact CG2-CG 4.13Å; A224-Y252 WeakPolarHBondContact CA-O 3.11Å; A224-Y252 HydrophobicContact CB-CD1 3.93Å; A224-Y252 WeakPolarHBondContact CB-O 3.48Å; V227-Y252 VanDerWaalsContact CG2-CB 3.48Å; V227-Y252 HydrophobicContact CG2-CD2 4.29Å; V227-Y252 HydrophobicContact CG2-CG 4.24Å; S250-Y252 VanDerWaalsContact CB-O 3.31Å; S250-Y252 WeakPolarHBondContact CB-O 3.4Å; S250-Y252 PolarHBondContact O-N 2.91Å; S250-Y252 PolarHBondContact OG-N 3.31Å; S250-Y252 PolarHBondContact OG-O 3.48Å; Y252-W329 VanDerWaalsContact CA-O 3.28Å; Y252-W329 WeakPolarHBondContact CA-O 3.45Å; Y252-W329 HydrophobicContact CD2-CB 3.22Å; Y252-W329 HydrophobicContact CD2-CD2 4.31Å; Y252-W329 HydrophobicContact CD2-CE3 4.42Å; Y252-W329 AromaticContact CD2-CG 3.87Å; Y252-W329 HydrophobicContact CD2-CG 3.87Å; Y252-W329 HydrophobicContact CE2-CB 3.82Å; Y252-W329 HydrophobicContact CE2-CG 4.48Å; Y252-W329 HydrophobicContact CG-CB 3.77Å
253	D	97.6	Very high	95	Very high	35 Å²	35	29.6 Å²	29.6	19%	0.187	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-177.1	177.8	-144.2	-40.3	0	0	0	111.2	W220 K249 W329 Q330	W220-D253 WeakPolarHBondContact CZ2-O 3.39Å; K249-D253 HydrophobicContact CB-CB 3.83Å; K249-D253 WeakPolarHBondContact CB-OD2 3.49Å; K249-D253 HydrophobicContact CD-CB 3.96Å; K249-D253 HydrophobicContact CG-CB 4.3Å; K249-D253 WeakPolarHBondContact CG-OD2 3.22Å; D253-W329 PolarHBondContact N-O 3.21Å; D253-Q330 WeakPolarHBondContact O-CA 3.36Å
254	S	97.2	Very high	95.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.173	C	C	.	.	S	Bend	trans	-62	162	172.9	54.9	0	0	0	0	112.8	K249 N331 N391	K249-S254 PolarHBondContact NZ-O 3.27Å; S254-N331 WeakPolarHBondContact CA-OD1 3.42Å; S254-N391 PolarHBondContact OG-OD1 2.81Å
255	T	97.3	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.			trans	-53.4	140.5	176	-72.1	0	0	0	0	111.6	Y189 T193 K249 L257 N331 I387	Y189-T255 HydrophobicContact CE1-CG2 3.78Å; Y189-T255 WeakPolarHBondContact OH-CG2 3.29Å; Y189-T255 PolarHBondContact OH-OG1 2.59Å; T193-T255 HydrophobicContact CG2-CG2 4.33Å; K249-T255 PolarHBondContact NZ-O 2.89Å; T255-L257 WeakPolarHBondContact CG2-O 3.46Å; T255-N331 PolarHBondContact N-OD1 3.17Å; T255-N331 PolarHBondContact OG1-OD1 3.16Å; T255-I387 HydrophobicContact CG2-CD1 4.4Å
256	D	97.3	Very high	95.5	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.091	17%	0.174	C	C	.	.			trans	-92.4	-34.4	178.5	-72.5	-82.6	0	0	0	113.2	K249 V271 H296 Q330	K249-D256 VanDerWaalsContact CE-CG 3.5Å; K249-D256 WeakPolarHBondContact CE-OD1 3.42Å; K249-D256 WeakPolarHBondContact CE-OD2 3.22Å; K249-D256 IonicContact NZ-OD1 2.75Å; K249-D256 PolarHBondContact NZ-OD1 2.69Å; K249-D256 IonicContact NZ-OD2 3.83Å; K249-D256 PolarHBondContact NZ-OD2 3.36Å; D256-V271 HydrophobicContact CB-CG1 4.44Å; D256-V271 HydrophobicContact CB-CG2 4.25Å; D256-H296 VanDerWaalsContact CG-NE2 3.29Å; D256-H296 IonicContact OD1-NE2 2.85Å; D256-H296 IonicContact OD2-NE2 3.58Å; D256-H296 PolarHBondContact OD2-NE2 3.25Å; D256-Q330 PolarHBondContact OD2-NE2 3.2Å
257	L	97.8	Very high	95.7	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	16%	0.159	C	C	.	.			trans	-142.3	135.4	-173.3	-67.9	170.6	0	0	0	110.7	T255 L259 N267 V271 K292 H293	T255-L257 WeakPolarHBondContact CG2-O 3.46Å; L257-L259 HydrophobicContact CB-CD2 4.5Å; L257-N267 WeakPolarHBondContact CA-OD1 3.32Å; L257-N267 HydrophobicContact CD2-CB 3.94Å; L257-V271 HydrophobicContact CD1-CG1 4.3Å; L257-V271 HydrophobicContact CD2-CB 4.46Å; L257-V271 HydrophobicContact CD2-CG2 3.81Å; L257-V271 HydrophobicContact CG-CG2 4.04Å; L257-K292 HydrophobicContact CD1-CB 4.38Å; L257-K292 HydrophobicContact CD1-CD 4.35Å; L257-K292 HydrophobicContact CD1-CG 4.16Å; L257-H293 HydrophobicContact CD1-CB 4.37Å
258	Y	97.8	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.			trans	-64.7	146.3	151.8	-66.6	-60.5	0	0	0	110	D190 T193 P194 F266 N267 L289 L384 I385 I387 V390	D190-Y258 HydrophobicContact CB-CD1 3.6Å; D190-Y258 HydrophobicContact CB-CE1 4.22Å; D190-Y258 HydrophobicContact CB-CG 4.43Å; D190-Y258 WeakPolarHBondContact O-CE1 3.43Å; D190-Y258 VanDerWaalsContact OD1-CA 3.24Å; D190-Y258 WeakPolarHBondContact OD1-CA 3.23Å; T193-Y258 HydrophobicContact CG2-CE1 3.96Å; P194-Y258 WeakPolarHBondContact CG-OH 3.49Å; Y258-F266 HydrophobicContact CD2-CB 3.6Å; Y258-F266 HydrophobicContact CE2-CB 3.52Å; Y258-N267 WeakPolarHBondContact CB-OD1 3.45Å; Y258-N267 WeakPolarHBondContact CD2-OD1 3.44Å; Y258-N267 PolarHBondContact N-OD1 3.48Å; Y258-N267 PolarHBondContact O-ND2 2.85Å; Y258-N267 VanDerWaalsContact O-ND2 3.13Å; Y258-L289 WeakPolarHBondContact O-CD2 3.35Å; Y258-L384 HydrophobicContact CD1-CD2 4.08Å; Y258-L384 HydrophobicContact CE1-CD2 3.77Å; Y258-L384 HydrophobicContact CE2-CD2 4.47Å; Y258-I385 VanDerWaalsContact CE2-O 3.23Å; Y258-I385 WeakPolarHBondContact CE2-O 3.28Å; Y258-I385 PolarHBondContact OH-O 3.43Å; Y258-I387 HydrophobicContact CD1-CD1 4.33Å; Y258-I387 HydrophobicContact CD2-CD1 3.61Å; Y258-I387 HydrophobicContact CD2-CG1 3.82Å; Y258-I387 HydrophobicContact CE1-CD1 4.19Å; Y258-I387 HydrophobicContact CE2-CD1 3.39Å; Y258-I387 HydrophobicContact CE2-CG1 3.74Å; Y258-I387 HydrophobicContact CG-CD1 4.08Å; Y258-V390 WeakPolarHBondContact OH-CG2 3.43Å
259	L	96.8	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.			trans	-108.6	-29	-168.5	-56.3	-175.5	0	0	0	112.8	R186 Y189 D190 L257 L289 H293 F334	R186-L259 HydrophobicContact CB-CB 4.28Å; R186-L259 HydrophobicContact CG-CB 4.11Å; R186-L259 PolarHBondContact NE-O 3.03Å; R186-L259 PolarHBondContact NH2-O 3.42Å; Y189-L259 HydrophobicContact CD1-CB 4.44Å; Y189-L259 HydrophobicContact CD1-CD1 3.68Å; Y189-L259 HydrophobicContact CD1-CG 3.71Å; Y189-L259 HydrophobicContact CD2-CD1 4.14Å; Y189-L259 HydrophobicContact CE1-CD1 3.82Å; Y189-L259 HydrophobicContact CE1-CG 3.73Å; Y189-L259 HydrophobicContact CE2-CD1 4.24Å; Y189-L259 HydrophobicContact CG-CD1 3.87Å; Y189-L259 HydrophobicContact CG-CG 4.39Å; D190-L259 PolarHBondContact OD1-N 3.18Å; D190-L259 PolarHBondContact OD2-N 3.12Å; L257-L259 HydrophobicContact CB-CD2 4.5Å; L259-L289 WeakPolarHBondContact O-CD2 3.16Å; L259-H293 HydrophobicContact CD2-CB 3.55Å; L259-H293 VanDerWaalsContact CD2-CG 3.44Å; L259-F334 HydrophobicContact CD1-CB 3.64Å; L259-F334 HydrophobicContact CD1-CD1 3.91Å; L259-F334 HydrophobicContact CD1-CD2 4.05Å; L259-F334 HydrophobicContact CD1-CG 3.62Å
260	H	93.8	Very high	95.8	Very high	26 Å²	26	33 Å²	33	12%	0.12	20%	0.195	C	C	.	.	S	Bend	trans	-74.5	133.1	-179	-170.5	-83.7	0	0	0	110.1	E183 R186 W187 D190 S262 N263	E183-H260 IonicContact OE2-CD2 2.67Å; E183-H260 IonicContact OE2-NE2 3.05Å; R186-H260 HydrophobicContact CB-CB 4.09Å; W187-H260 AromaticContact CE3-CD2 3.94Å; W187-H260 AromaticContact CE3-CE1 3.98Å; W187-H260 AromaticContact CE3-NE2 3.89Å; D190-H260 WeakPolarHBondContact OD2-CB 3.42Å; D190-H260 PolarHBondContact OD2-N 3.41Å; H260-S262 VanDerWaalsContact C-N 3.26Å; H260-S262 PolarHBondContact CE1-OG 3.13Å; H260-S262 WeakPolarHBondContact ND1-CB 3.5Å; H260-S262 PolarHBondContact ND1-N 2.89Å; H260-S262 PolarHBondContact ND1-OG 2.9Å; H260-S262 PolarHBondContact O-N 3.47Å; H260-S262 VanDerWaalsContact O-N 3.16Å; H260-N263 WeakPolarHBondContact O-CB 3.48Å; H260-N263 PolarHBondContact O-N 2.84Å
261	P	91.7	Very high	95.6	Very high	60 Å²	60	33.7 Å²	33.7	39%	0.39	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-56	-38	-174.4	-27.7	36.5	0	0	0	113.7	N263 E264	P261-N263 PolarHBondContact O-N 3.13Å; P261-N263 VanDerWaalsContact O-N 3.08Å; P261-E264 PolarHBondContact O-N 3.15Å
262	S	90.6	Very high	95.5	Very high	63 Å²	63	35.3 Å²	35.3	44%	0.441	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-63.2	-13.4	176	-49.7	0	0	0	0	114.8	H260	H260-S262 VanDerWaalsContact C-N 3.26Å; H260-S262 PolarHBondContact CE1-OG 3.13Å; H260-S262 WeakPolarHBondContact ND1-CB 3.5Å; H260-S262 PolarHBondContact ND1-N 2.89Å; H260-S262 PolarHBondContact ND1-OG 2.9Å; H260-S262 PolarHBondContact O-N 3.47Å; H260-S262 VanDerWaalsContact O-N 3.16Å
263	N	93.1	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-107	3.8	-175.1	-57.5	-17.8	0	0	0	112.3	D190 H260 P261 A265 F266 L384	D190-N263 WeakPolarHBondContact CB-ND2 3.35Å; D190-N263 WeakPolarHBondContact OD2-CB 3.14Å; D190-N263 PolarHBondContact OD2-ND2 3.35Å; H260-N263 WeakPolarHBondContact O-CB 3.48Å; H260-N263 PolarHBondContact O-N 2.84Å; P261-N263 PolarHBondContact O-N 3.13Å; P261-N263 VanDerWaalsContact O-N 3.08Å; N263-A265 PolarHBondContact O-N 3.29Å; N263-A265 VanDerWaalsContact O-N 3.15Å; N263-F266 PolarHBondContact O-N 3.25Å; N263-L384 HydrophobicContact CB-CD1 3.97Å; N263-L384 HydrophobicContact CB-CD2 4.37Å; N263-L384 WeakPolarHBondContact OD1-CD1 3.1Å
264	E	93.5	Very high	95.3	Very high	106 Å²	106	38.1 Å²	38.1	50%	0.495	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-57.2	-32.3	-178	-172.6	174	-161.5	0	0	112.6	P261 F266 N267 L289	P261-E264 PolarHBondContact O-N 3.15Å; E264-F266 PolarHBondContact O-N 2.88Å; E264-N267 WeakPolarHBondContact O-CB 3.33Å; E264-N267 PolarHBondContact O-N 3.15Å; E264-L289 HydrophobicContact CB-CD2 4.18Å; E264-L289 HydrophobicContact CG-CD1 4.48Å
265	A	93.5	Very high	95.2	Very high	65 Å²	65	42.1 Å²	42.1	54%	0.537	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-59.6	-18.1	178.1	0	0	0	0	0	114.2	N263	N263-A265 PolarHBondContact O-N 3.29Å; N263-A265 VanDerWaalsContact O-N 3.15Å
266	F	96	Very high	95.2	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.018	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-92.5	-4.3	176.9	-61.9	-89.6	0	0	0	113.4	Y258 N263 E264 D268 L384 P386 I387 Q434 Y436	Y258-F266 HydrophobicContact CD2-CB 3.6Å; Y258-F266 HydrophobicContact CE2-CB 3.52Å; N263-F266 PolarHBondContact O-N 3.25Å; E264-F266 PolarHBondContact O-N 2.88Å; F266-D268 VanDerWaalsContact C-N 3.3Å; F266-D268 PolarHBondContact O-N 2.82Å; F266-L384 HydrophobicContact CD1-CB 4.07Å; F266-L384 HydrophobicContact CD2-CB 4.04Å; F266-L384 HydrophobicContact CD2-CD1 3.88Å; F266-L384 HydrophobicContact CD2-CG 4.48Å; F266-L384 HydrophobicContact CE1-CB 3.92Å; F266-L384 HydrophobicContact CE2-CB 3.89Å; F266-L384 HydrophobicContact CE2-CD1 3.63Å; F266-L384 HydrophobicContact CE2-CG 4.4Å; F266-L384 HydrophobicContact CG-CB 4.13Å; F266-L384 HydrophobicContact CZ-CB 3.84Å; F266-L384 HydrophobicContact CZ-CD1 4.29Å; F266-P386 WeakPolarHBondContact O-CA 3.1Å; F266-I387 PolarHBondContact O-N 3.16Å; F266-Q434 VanDerWaalsContact CE2-O 3.3Å; F266-Q434 WeakPolarHBondContact CE2-O 3.28Å; F266-Y436 HydrophobicContact CD1-CD2 4.04Å; F266-Y436 AromaticContact CE1-CD2 3.94Å; F266-Y436 HydrophobicContact CE1-CD2 3.94Å
267	N	96.9	Very high	95.2	Very high	30 Å²	30	50.9 Å²	50.9	16%	0.16	28%	0.278	C	S	.	.			trans	-81	75.7	172.9	-68.4	-31.1	0	0	0	110.2	L257 Y258 E264	L257-N267 WeakPolarHBondContact CA-OD1 3.32Å; L257-N267 HydrophobicContact CD2-CB 3.94Å; Y258-N267 WeakPolarHBondContact CB-OD1 3.45Å; Y258-N267 WeakPolarHBondContact CD2-OD1 3.44Å; Y258-N267 PolarHBondContact N-OD1 3.48Å; Y258-N267 PolarHBondContact O-ND2 2.85Å; Y258-N267 VanDerWaalsContact O-ND2 3.13Å; E264-N267 WeakPolarHBondContact O-CB 3.33Å; E264-N267 PolarHBondContact O-N 3.15Å
268	D	96.3	Very high	95.2	Very high	71 Å²	71	53 Å²	53	38%	0.38	29%	0.286	S	S	.	.			trans	-90.8	4.6	-170.9	70	-37.7	0	0	0	114.8	F266 P386 I387 S388	F266-D268 VanDerWaalsContact C-N 3.3Å; F266-D268 PolarHBondContact O-N 2.82Å; D268-P386 HydrophobicContact CB-CB 4.17Å; D268-P386 VanDerWaalsContact CG-CB 3.4Å; D268-P386 VanDerWaalsContact OD2-CB 3.25Å; D268-P386 WeakPolarHBondContact OD2-CB 3.47Å; D268-I387 PolarHBondContact OD1-N 3.39Å; D268-S388 PolarHBondContact OD1-N 3.3Å; D268-S388 WeakPolarHBondContact OD2-CB 3.23Å; D268-S388 PolarHBondContact OD2-OG 3.39Å
269	L	96.5	Very high	95.3	Very high	67 Å²	67	57.8 Å²	57.8	35%	0.351	31%	0.308	S	S	.	.	S	Bend	trans	-112.9	143.8	178.3	-65.5	-176.8	0	0	0	111.4	V271 I387 N391	L269-V271 PolarHBondContact O-N 2.71Å; L269-I387 HydrophobicContact CD1-CG2 4.05Å; L269-N391 WeakPolarHBondContact CD1-ND2 3.33Å
270	P	94.7	Very high	95.3	Very high	125 Å²	125	63.3 Å²	63.3	81%	0.812	34%	0.335	S	S	*	.			trans	-66.1	135.2	170.2	28.8	-33.4	0	0	0	110
271	V	94.4	Very high	95.5	Very high	22 Å²	22	63.8 Å²	63.8	13%	0.133	34%	0.339	C	S	.	.			trans	-121.8	125.3	176.9	177.8	0	0	0	0	107.9	D256 L257 L269 Y273 H296	D256-V271 HydrophobicContact CB-CG1 4.44Å; D256-V271 HydrophobicContact CB-CG2 4.25Å; L257-V271 HydrophobicContact CD1-CG1 4.3Å; L257-V271 HydrophobicContact CD2-CB 4.46Å; L257-V271 HydrophobicContact CD2-CG2 3.81Å; L257-V271 HydrophobicContact CG-CG2 4.04Å; L269-V271 PolarHBondContact O-N 2.71Å; V271-Y273 WeakPolarHBondContact O-CD1 3.37Å; V271-H296 HydrophobicContact CG1-CB 3.79Å; V271-H296 VanDerWaalsContact CG1-CG 3.45Å; V271-H296 VanDerWaalsContact CG1-ND1 3.34Å; V271-H296 WeakPolarHBondContact CG1-ND1 3.46Å
272	C	94.3	Very high	95.8	Very high	36 Å²	36	62.9 Å²	62.9	24%	0.243	33%	0.332	C	S	.	.			trans	-74.5	142.4	171.1	54.5	0	0	0	0	109.8	F245 L247 H296	F245-C272 HydrophobicContact CB-CB 4.47Å; F245-C272 HydrophobicContact CD1-CB 4.23Å; L247-C272 VanDerWaalsContact CD2-SG 3.57Å; C272-H296 PolarHBondContact O-ND1 3.17Å
273	Y	96.1	Very high	96.2	Very high	63 Å²	63	65 Å²	65	25%	0.247	35%	0.347	C	S	.	.			trans	-152.3	154.9	175.3	59.7	-87.2	0	0	0	109	V271 Q275 Y278 K292 A295	V271-Y273 WeakPolarHBondContact O-CD1 3.37Å; Y273-Q275 VanDerWaalsContact CE2-OE1 3.3Å; Y273-Q275 PolarHBondContact O-N 3.28Å; Y273-Y278 HydrophobicContact CD2-CD2 4.35Å; Y273-Y278 HydrophobicContact CD2-CG 4.18Å; Y273-Y278 HydrophobicContact CE2-CD1 4.34Å; Y273-Y278 HydrophobicContact CE2-CD2 4.11Å; Y273-Y278 AromaticContact CE2-CG 3.83Å; Y273-Y278 HydrophobicContact CE2-CG 3.83Å; Y273-K292 HydrophobicContact CD1-CD 4.39Å; Y273-K292 HydrophobicContact CD1-CG 3.8Å; Y273-K292 HydrophobicContact CE1-CD 4.27Å; Y273-K292 HydrophobicContact CE1-CG 4.06Å; Y273-K292 HydrophobicContact CG-CG 4.12Å; Y273-A295 HydrophobicContact CD2-CB 4.24Å; Y273-A295 HydrophobicContact CG-CB 4.49Å
274	D	95.4	Very high	96.3	Very high	39 Å²	39	68.1 Å²	68.1	21%	0.209	38%	0.38	C	S	.	.			trans	-76.1	116.5	175	-169.6	-48.9	0	0	0	110	F245 K276 F277 Y278 A295	F245-D274 HydrophobicContact CZ-CB 3.92Å; D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 3.28Å; D274-K276 WeakPolarHBondContact OD1-CA 3.35Å; D274-K276 VanDerWaalsContact OD1-CB 3.23Å; D274-K276 WeakPolarHBondContact OD1-CB 3.19Å; D274-K276 PolarHBondContact OD1-N 2.85Å; D274-F277 HydrophobicContact CB-CB 4.29Å; D274-F277 HydrophobicContact CB-CD2 3.51Å; D274-F277 HydrophobicContact CB-CE2 4.23Å; D274-F277 HydrophobicContact CB-CG 4.24Å; D274-F277 PolarHBondContact O-N 3.08Å; D274-F277 PolarHBondContact OD1-N 3.01Å; D274-Y278 PolarHBondContact O-N 3.22Å; D274-A295 PolarHBondContact N-O 3.47Å
275	Q	96.4	Very high	96.4	Very high	85 Å²	85	66.3 Å²	66.3	40%	0.397	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-35.2	-177.7	-174.8	62.4	32	0	0	112.2	Y273 Y278 E279	Y273-Q275 VanDerWaalsContact CE2-OE1 3.3Å; Y273-Q275 PolarHBondContact O-N 3.28Å; Q275-Y278 PolarHBondContact O-N 3.47Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.42Å; Q275-E279 PolarHBondContact NE2-OE1 2.99Å; Q275-E279 WeakPolarHBondContact O-CB 3.49Å; Q275-E279 WeakPolarHBondContact O-CG 3.4Å; Q275-E279 PolarHBondContact O-N 2.85Å
276	K	96.9	Very high	96.5	Very high	146 Å²	146	65.6 Å²	65.6	64%	0.635	38%	0.378	S	S	*	.	H	α-helix	trans	-64.8	-45.3	178.2	178.8	-170.8	172.1	-172.8	0	110.6	D274 E279 M280	D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 3.28Å; D274-K276 WeakPolarHBondContact OD1-CA 3.35Å; D274-K276 VanDerWaalsContact OD1-CB 3.23Å; D274-K276 WeakPolarHBondContact OD1-CB 3.19Å; D274-K276 PolarHBondContact OD1-N 2.85Å; K276-E279 PolarHBondContact O-N 3.35Å; K276-M280 WeakPolarHBondContact O-CB 3.38Å; K276-M280 PolarHBondContact O-N 3.29Å
277	F	96.9	Very high	96.5	Very high	55 Å²	55	67.4 Å²	67.4	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-69.6	-35.5	178.4	-64.3	-44.5	0	0	0	112.2	D274 M280 L281 A295 F298	D274-F277 HydrophobicContact CB-CB 4.29Å; D274-F277 HydrophobicContact CB-CD2 3.51Å; D274-F277 HydrophobicContact CB-CE2 4.23Å; D274-F277 HydrophobicContact CB-CG 4.24Å; D274-F277 PolarHBondContact O-N 3.08Å; D274-F277 PolarHBondContact OD1-N 3.01Å; F277-M280 HydrophobicContact CD1-CE 4.05Å; F277-M280 PolarHBondContact O-N 2.97Å; F277-L281 WeakPolarHBondContact O-CB 3.28Å; F277-L281 WeakPolarHBondContact O-CD1 3.49Å; F277-L281 VanDerWaalsContact O-CG 3.28Å; F277-L281 WeakPolarHBondContact O-CG 3.5Å; F277-L281 PolarHBondContact O-N 3.41Å; F277-A295 HydrophobicContact CB-CB 4.18Å; F277-F298 HydrophobicContact CD2-CB 3.54Å; F277-F298 HydrophobicContact CD2-CD1 4.12Å; F277-F298 HydrophobicContact CD2-CG 4.2Å; F277-F298 HydrophobicContact CE2-CB 3.89Å; F277-F298 HydrophobicContact CE2-CD1 4.01Å; F277-F298 HydrophobicContact CE2-CG 4.43Å; F277-F298 HydrophobicContact CG-CB 4.38Å; F277-F298 HydrophobicContact CZ-CD1 4.31Å
278	Y	98.3	Very high	96.5	Very high	51 Å²	51	69.7 Å²	69.7	20%	0.2	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-48.6	172.7	175.2	-93.4	0	0	0	112.1	Y273 D274 Q275 L281 T282 P288 K292	Y273-Y278 HydrophobicContact CD2-CD2 4.35Å; Y273-Y278 HydrophobicContact CD2-CG 4.18Å; Y273-Y278 HydrophobicContact CE2-CD1 4.34Å; Y273-Y278 HydrophobicContact CE2-CD2 4.11Å; Y273-Y278 AromaticContact CE2-CG 3.83Å; Y273-Y278 HydrophobicContact CE2-CG 3.83Å; D274-Y278 PolarHBondContact O-N 3.22Å; Q275-Y278 PolarHBondContact O-N 3.47Å; Y278-L281 PolarHBondContact O-N 3.3Å; Y278-T282 HydrophobicContact CD1-CG2 4.49Å; Y278-T282 HydrophobicContact CD2-CG2 4.46Å; Y278-T282 HydrophobicContact CE1-CG2 4.06Å; Y278-T282 HydrophobicContact CE2-CG2 4.05Å; Y278-T282 WeakPolarHBondContact O-CB 2.81Å; Y278-T282 WeakPolarHBondContact O-CG2 3.41Å; Y278-T282 PolarHBondContact O-N 2.92Å; Y278-T282 PolarHBondContact O-OG1 3.11Å; Y278-P288 WeakPolarHBondContact CE2-O 3.42Å; Y278-K292 HydrophobicContact CD2-CB 4.14Å; Y278-K292 HydrophobicContact CE2-CB 4.1Å
279	E	98.5	Very high	96.5	Very high	99 Å²	99	66.7 Å²	66.7	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-39.9	178.3	-74.5	169.7	-170.3	0	0	112.1	Q275 K276 T282 S283	Q275-E279 WeakPolarHBondContact CG-OE1 3.42Å; Q275-E279 PolarHBondContact NE2-OE1 2.99Å; Q275-E279 WeakPolarHBondContact O-CB 3.49Å; Q275-E279 WeakPolarHBondContact O-CG 3.4Å; Q275-E279 PolarHBondContact O-N 2.85Å; K276-E279 PolarHBondContact O-N 3.35Å; E279-T282 WeakPolarHBondContact CA-OG1 3.35Å; E279-T282 PolarHBondContact O-OG1 3.08Å; E279-S283 WeakPolarHBondContact O-CB 3.21Å; E279-S283 PolarHBondContact O-N 3.33Å; E279-S283 PolarHBondContact O-OG 3.34Å
280	M	98	Very high	96.5	Very high	116 Å²	116	64.2 Å²	64.2	57%	0.571	38%	0.375	S	S	*	.	H	α-helix	trans	-59.6	-48.3	176.2	-175.3	-178	77.4	0	0	111.7	K276 F277 G284	K276-M280 WeakPolarHBondContact O-CB 3.38Å; K276-M280 PolarHBondContact O-N 3.29Å; F277-M280 HydrophobicContact CD1-CE 4.05Å; F277-M280 PolarHBondContact O-N 2.97Å; M280-G284 PolarHBondContact O-N 3.23Å
281	L	97.7	Very high	96.6	Very high	36 Å²	36	58.3 Å²	58.3	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-68.4	-44.6	-178.6	-70.1	166.7	0	0	0	112.1	F277 Y278 G284 G285 V286 S291 V294	F277-L281 WeakPolarHBondContact O-CB 3.28Å; F277-L281 WeakPolarHBondContact O-CD1 3.49Å; F277-L281 VanDerWaalsContact O-CG 3.28Å; F277-L281 WeakPolarHBondContact O-CG 3.5Å; F277-L281 PolarHBondContact O-N 3.41Å; Y278-L281 PolarHBondContact O-N 3.3Å; L281-G284 CarbonylContact O-C 3.59Å; L281-G284 WeakPolarHBondContact O-CA 3.48Å; L281-G284 PolarHBondContact O-N 3.11Å; L281-G284 VanDerWaalsContact O-N 3.15Å; L281-G285 PolarHBondContact O-N 3.17Å; L281-V286 HydrophobicContact CB-CB 4.23Å; L281-V286 HydrophobicContact CB-CG2 4.45Å; L281-V286 HydrophobicContact CD2-CG2 4.31Å; L281-V286 WeakPolarHBondContact O-CB 3.45Å; L281-V286 PolarHBondContact O-N 2.98Å; L281-S291 WeakPolarHBondContact CB-OG 3.34Å; L281-V294 HydrophobicContact CD1-CB 3.64Å; L281-V294 HydrophobicContact CD1-CG1 3.64Å
282	T	98	Very high	96.8	Very high	42 Å²	42	60.2 Å²	60.2	26%	0.258	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-40.6	178.4	48.9	0	0	0	0	112.2	Y278 E279 G284 G285 V286 S291	Y278-T282 HydrophobicContact CD1-CG2 4.49Å; Y278-T282 HydrophobicContact CD2-CG2 4.46Å; Y278-T282 HydrophobicContact CE1-CG2 4.06Å; Y278-T282 HydrophobicContact CE2-CG2 4.05Å; Y278-T282 WeakPolarHBondContact O-CB 2.81Å; Y278-T282 WeakPolarHBondContact O-CG2 3.41Å; Y278-T282 PolarHBondContact O-N 2.92Å; Y278-T282 PolarHBondContact O-OG1 3.11Å; E279-T282 WeakPolarHBondContact CA-OG1 3.35Å; E279-T282 PolarHBondContact O-OG1 3.08Å; T282-G284 PolarHBondContact O-N 3.08Å; T282-G285 PolarHBondContact O-N 2.86Å; T282-V286 WeakPolarHBondContact CA-O 3.4Å; T282-S291 WeakPolarHBondContact CG2-OG 3.32Å
283	S	98	Very high	97	Very high	106 Å²	106	58.7 Å²	58.7	74%	0.741	33%	0.333	S	S	*	.	H	α-helix	trans	-65.4	-28.1	173.8	-56.6	0	0	0	0	112.5	E279 G285	E279-S283 WeakPolarHBondContact O-CB 3.21Å; E279-S283 PolarHBondContact O-N 3.33Å; E279-S283 PolarHBondContact O-OG 3.34Å; S283-G285 VanDerWaalsContact C-N 3.26Å; S283-G285 PolarHBondContact O-N 3.4Å
284	G	96.4	Very high	97	Very high	67 Å²	67	56.8 Å²	56.8	69%	0.691	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-0.3	172.6	0	0	0	0	0	114.8	M280 L281 T282	M280-G284 PolarHBondContact O-N 3.23Å; L281-G284 CarbonylContact O-C 3.59Å; L281-G284 WeakPolarHBondContact O-CA 3.48Å; L281-G284 PolarHBondContact O-N 3.11Å; L281-G284 VanDerWaalsContact O-N 3.15Å; T282-G284 PolarHBondContact O-N 3.08Å
285	G	96.1	Very high	97.1	Very high	68 Å²	68	54.9 Å²	54.9	70%	0.701	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	7.2	176.9	0	0	0	0	0	115.5	L281 T282 S283	L281-G285 PolarHBondContact O-N 3.17Å; T282-G285 PolarHBondContact O-N 2.86Å; S283-G285 VanDerWaalsContact C-N 3.26Å; S283-G285 PolarHBondContact O-N 3.4Å
286	V	95.6	Very high	97.2	Very high	49 Å²	49	51.1 Å²	51.1	30%	0.297	30%	0.3	S	S	.	.			trans	-75.4	135.9	170.1	-175.7	0	0	0	0	108.8	L281 T282 L290 S291	L281-V286 HydrophobicContact CB-CB 4.23Å; L281-V286 HydrophobicContact CB-CG2 4.45Å; L281-V286 HydrophobicContact CD2-CG2 4.31Å; L281-V286 WeakPolarHBondContact O-CB 3.45Å; L281-V286 PolarHBondContact O-N 2.98Å; T282-V286 WeakPolarHBondContact CA-O 3.4Å; V286-L290 HydrophobicContact CG1-CB 3.99Å; V286-L290 HydrophobicContact CG1-CD2 4Å; V286-L290 HydrophobicContact CG1-CG 3.94Å; V286-S291 WeakPolarHBondContact CB-OG 3.48Å; V286-S291 WeakPolarHBondContact CG1-OG 3.2Å; V286-S291 PolarHBondContact O-OG 3.37Å; V286-S291 VanDerWaalsContact O-OG 3.13Å
287	D	95	Very high	97.2	Very high	42 Å²	42	44.2 Å²	44.2	23%	0.225	27%	0.27	C	S	.	.			trans	-62.3	156.8	-178	76.7	88.1	0	0	0	112.5	R186 L289 L290 S291	R186-D287 IonicContact CZ-OD1 2.98Å; R186-D287 IonicContact CZ-OD2 2.87Å; R186-D287 IonicContact NH1-OD1 2.86Å; R186-D287 IonicContact NH1-OD2 3.31Å; R186-D287 PolarHBondContact NH1-OD2 3.39Å; R186-D287 IonicContact NH2-OD1 2.93Å; R186-D287 PolarHBondContact NH2-OD1 3.1Å; R186-D287 IonicContact NH2-OD2 3.12Å; R186-D287 PolarHBondContact NH2-OD2 3.48Å; D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 3.47Å; D287-L289 PolarHBondContact OD1-N 3.45Å; D287-L290 PolarHBondContact O-N 3.43Å; D287-L290 PolarHBondContact OD1-N 2.82Å; D287-L290 VanDerWaalsContact OD2-CB 3.28Å; D287-L290 WeakPolarHBondContact OD2-CB 3.46Å; D287-S291 VanDerWaalsContact O-CB 3.25Å; D287-S291 WeakPolarHBondContact O-CB 3.15Å; D287-S291 PolarHBondContact O-N 2.96Å; D287-S291 PolarHBondContact O-OG 2.71Å
288	P	96.6	Very high	97.2	Very high	78 Å²	78	44.2 Å²	44.2	51%	0.506	27%	0.27	S	S	.	.	H	α-helix	trans	-55.2	-42.3	-175.7	-30.4	37.8	0	0	0	114.6	Y278 S291 K292	Y278-P288 WeakPolarHBondContact CE2-O 3.42Å; P288-S291 PolarHBondContact O-N 2.86Å; P288-K292 WeakPolarHBondContact O-CB 3.11Å; P288-K292 PolarHBondContact O-N 2.91Å
289	L	96.7	Very high	97.1	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-73.5	-43.8	-173.2	-176.2	56.4	0	0	0	111.2	Y258 L259 E264 D287 S291 K292 H293	Y258-L289 WeakPolarHBondContact O-CD2 3.35Å; L259-L289 WeakPolarHBondContact O-CD2 3.16Å; E264-L289 HydrophobicContact CB-CD2 4.18Å; E264-L289 HydrophobicContact CG-CD1 4.48Å; D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 3.47Å; D287-L289 PolarHBondContact OD1-N 3.45Å; L289-S291 VanDerWaalsContact C-N 3.35Å; L289-K292 WeakPolarHBondContact O-CB 3.45Å; L289-K292 PolarHBondContact O-N 3.16Å; L289-H293 PolarHBondContact O-N 2.98Å
290	L	96.5	Very high	96.9	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-38.6	174.6	-175.3	57.6	0	0	0	111.5	V286 D287 K292 H293 V294 F334	V286-L290 HydrophobicContact CG1-CB 3.99Å; V286-L290 HydrophobicContact CG1-CD2 4Å; V286-L290 HydrophobicContact CG1-CG 3.94Å; D287-L290 PolarHBondContact O-N 3.43Å; D287-L290 PolarHBondContact OD1-N 2.82Å; D287-L290 VanDerWaalsContact OD2-CB 3.28Å; D287-L290 WeakPolarHBondContact OD2-CB 3.46Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 3.44Å; L290-H293 WeakPolarHBondContact O-CB 3.18Å; L290-H293 PolarHBondContact O-N 3.34Å; L290-V294 PolarHBondContact O-N 3.46Å; L290-F334 HydrophobicContact CD1-CD1 4.09Å; L290-F334 HydrophobicContact CD1-CE1 3.82Å; L290-F334 HydrophobicContact CD2-CE1 4.42Å
291	S	97.8	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-42.9	173.7	-63.7	0	0	0	0	111.7	L281 T282 V286 D287 P288 L289 V294 A295	L281-S291 WeakPolarHBondContact CB-OG 3.34Å; T282-S291 WeakPolarHBondContact CG2-OG 3.32Å; V286-S291 WeakPolarHBondContact CB-OG 3.48Å; V286-S291 WeakPolarHBondContact CG1-OG 3.2Å; V286-S291 PolarHBondContact O-OG 3.37Å; V286-S291 VanDerWaalsContact O-OG 3.13Å; D287-S291 VanDerWaalsContact O-CB 3.25Å; D287-S291 WeakPolarHBondContact O-CB 3.15Å; D287-S291 PolarHBondContact O-N 2.96Å; D287-S291 PolarHBondContact O-OG 2.71Å; P288-S291 PolarHBondContact O-N 2.86Å; L289-S291 VanDerWaalsContact C-N 3.35Å; S291-V294 PolarHBondContact O-N 3.39Å; S291-A295 WeakPolarHBondContact O-CB 3.3Å; S291-A295 PolarHBondContact O-N 2.99Å
292	K	97.8	Very high	96.7	Very high	62 Å²	62	37.8 Å²	37.8	27%	0.27	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-41.3	176.7	-162.4	179.1	-153	170.9	0	112.2	L257 Y273 Y278 P288 L289 L290 H296	L257-K292 HydrophobicContact CD1-CB 4.38Å; L257-K292 HydrophobicContact CD1-CD 4.35Å; L257-K292 HydrophobicContact CD1-CG 4.16Å; Y273-K292 HydrophobicContact CD1-CD 4.39Å; Y273-K292 HydrophobicContact CD1-CG 3.8Å; Y273-K292 HydrophobicContact CE1-CD 4.27Å; Y273-K292 HydrophobicContact CE1-CG 4.06Å; Y273-K292 HydrophobicContact CG-CG 4.12Å; Y278-K292 HydrophobicContact CD2-CB 4.14Å; Y278-K292 HydrophobicContact CE2-CB 4.1Å; P288-K292 WeakPolarHBondContact O-CB 3.11Å; P288-K292 PolarHBondContact O-N 2.91Å; L289-K292 WeakPolarHBondContact O-CB 3.45Å; L289-K292 PolarHBondContact O-N 3.16Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 3.44Å; K292-H296 WeakPolarHBondContact O-CB 3.41Å; K292-H296 PolarHBondContact O-N 3.04Å
293	H	97.5	Very high	96.5	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-52.1	174.2	172.5	71.4	0	0	0	111.4	L257 L259 L289 L290 H296 L297	L257-H293 HydrophobicContact CD1-CB 4.37Å; L259-H293 HydrophobicContact CD2-CB 3.55Å; L259-H293 VanDerWaalsContact CD2-CG 3.44Å; L289-H293 PolarHBondContact O-N 2.98Å; L290-H293 WeakPolarHBondContact O-CB 3.18Å; L290-H293 PolarHBondContact O-N 3.34Å; H293-H296 WeakPolarHBondContact O-CB 3.48Å; H293-H296 PolarHBondContact O-N 3.3Å; H293-L297 WeakPolarHBondContact O-CG 3.4Å; H293-L297 PolarHBondContact O-N 2.73Å
294	V	97.5	Very high	96.2	Very high	23 Å²	23	32.2 Å²	32.2	14%	0.139	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-45.4	179.9	177.2	0	0	0	0	111	L281 L290 S291 H296 L297 F298 F321	L281-V294 HydrophobicContact CD1-CB 3.64Å; L281-V294 HydrophobicContact CD1-CG1 3.64Å; L290-V294 PolarHBondContact O-N 3.46Å; S291-V294 PolarHBondContact O-N 3.39Å; V294-H296 PolarHBondContact O-N 2.93Å; V294-L297 WeakPolarHBondContact O-CB 3.5Å; V294-L297 PolarHBondContact O-N 3.45Å; V294-F298 HydrophobicContact CG1-CD2 3.94Å; V294-F298 HydrophobicContact CG1-CE2 3.83Å; V294-F298 VanDerWaalsContact O-CD2 3.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.44Å; V294-F298 PolarHBondContact O-N 2.91Å; V294-F298 VanDerWaalsContact O-N 3.15Å; V294-F321 HydrophobicContact CG1-CE2 4.21Å
295	A	97.7	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-30.6	177.4	0	0	0	0	0	113.1	Y273 D274 F277 S291 T299	Y273-A295 HydrophobicContact CD2-CB 4.24Å; Y273-A295 HydrophobicContact CG-CB 4.49Å; D274-A295 PolarHBondContact N-O 3.47Å; F277-A295 HydrophobicContact CB-CB 4.18Å; S291-A295 WeakPolarHBondContact O-CB 3.3Å; S291-A295 PolarHBondContact O-N 2.99Å; A295-T299 PolarHBondContact O-N 2.74Å
296	H	97.7	Very high	95.7	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-45.5	171.1	173	62.9	0	0	0	112	D256 V271 C272 K292 H293 V294 F298 T299	D256-H296 VanDerWaalsContact CG-NE2 3.29Å; D256-H296 IonicContact OD1-NE2 2.85Å; D256-H296 IonicContact OD2-NE2 3.58Å; D256-H296 PolarHBondContact OD2-NE2 3.25Å; V271-H296 HydrophobicContact CG1-CB 3.79Å; V271-H296 VanDerWaalsContact CG1-CG 3.45Å; V271-H296 VanDerWaalsContact CG1-ND1 3.34Å; V271-H296 WeakPolarHBondContact CG1-ND1 3.46Å; C272-H296 PolarHBondContact O-ND1 3.17Å; K292-H296 WeakPolarHBondContact O-CB 3.41Å; K292-H296 PolarHBondContact O-N 3.04Å; H293-H296 WeakPolarHBondContact O-CB 3.48Å; H293-H296 PolarHBondContact O-N 3.3Å; V294-H296 PolarHBondContact O-N 2.93Å; H296-F298 PolarHBondContact O-N 3.24Å; H296-T299 WeakPolarHBondContact O-CB 3.42Å; H296-T299 WeakPolarHBondContact O-CG2 3.39Å; H296-T299 PolarHBondContact O-N 3.36Å; H296-T299 PolarHBondContact O-OG1 3.31Å
297	L	97.1	Very high	95.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-58.9	-34.6	178.2	-59.4	175.3	0	0	0	111.9	H293 V294 T299 R300 I324 N328	H293-L297 WeakPolarHBondContact O-CG 3.4Å; H293-L297 PolarHBondContact O-N 2.73Å; V294-L297 WeakPolarHBondContact O-CB 3.5Å; V294-L297 PolarHBondContact O-N 3.45Å; L297-T299 VanDerWaalsContact C-N 3.25Å; L297-T299 PolarHBondContact O-N 2.69Å; L297-R300 WeakPolarHBondContact O-CB 3.47Å; L297-R300 WeakPolarHBondContact O-CG 3.4Å; L297-R300 PolarHBondContact O-N 3.18Å; L297-I324 HydrophobicContact CB-CG2 4.2Å; L297-I324 VanDerWaalsContact O-CG2 3.23Å; L297-I324 WeakPolarHBondContact O-CG2 3.02Å; L297-N328 HydrophobicContact CD2-CB 3.65Å; L297-N328 PolarHBondContact O-ND2 2.8Å
298	F	96.3	Very high	95.4	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.237	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	1.9	179	-81.4	-112.5	0	0	0	114.3	F277 V294 H296 R300 F321 I324	F277-F298 HydrophobicContact CD2-CB 3.54Å; F277-F298 HydrophobicContact CD2-CD1 4.12Å; F277-F298 HydrophobicContact CD2-CG 4.2Å; F277-F298 HydrophobicContact CE2-CB 3.89Å; F277-F298 HydrophobicContact CE2-CD1 4.01Å; F277-F298 HydrophobicContact CE2-CG 4.43Å; F277-F298 HydrophobicContact CG-CB 4.38Å; F277-F298 HydrophobicContact CZ-CD1 4.31Å; V294-F298 HydrophobicContact CG1-CD2 3.94Å; V294-F298 HydrophobicContact CG1-CE2 3.83Å; V294-F298 VanDerWaalsContact O-CD2 3.26Å; V294-F298 WeakPolarHBondContact O-CD2 3.44Å; V294-F298 PolarHBondContact O-N 2.91Å; V294-F298 VanDerWaalsContact O-N 3.15Å; H296-F298 PolarHBondContact O-N 3.24Å; F298-R300 PolarHBondContact O-N 2.73Å; F298-F321 AromaticContact CE2-CD2 3.91Å; F298-F321 HydrophobicContact CE2-CD2 3.91Å; F298-F321 HydrophobicContact CE2-CE2 4.13Å; F298-F321 AromaticContact CZ-CD2 3.94Å; F298-F321 HydrophobicContact CZ-CD2 3.94Å; F298-I324 HydrophobicContact CD1-CG1 4.39Å; F298-I324 HydrophobicContact CD2-CB 4.43Å; F298-I324 HydrophobicContact CD2-CG2 3.81Å; F298-I324 HydrophobicContact CE1-CG1 4.2Å; F298-I324 HydrophobicContact CE2-CB 4.17Å; F298-I324 HydrophobicContact CE2-CG2 3.99Å; F298-I324 HydrophobicContact CG-CG2 4.2Å; F298-I324 HydrophobicContact CZ-CB 4.28Å; F298-I324 HydrophobicContact CZ-CG1 4.32Å
299	T	96.2	Very high	95.1	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.043	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.2	163.2	63.3	0	0	0	0	112.5	F245 A295 H296 L297	F245-T299 HydrophobicContact CD1-CG2 4.12Å; F245-T299 HydrophobicContact CD2-CG2 3.97Å; F245-T299 HydrophobicContact CE1-CG2 4.18Å; F245-T299 HydrophobicContact CE2-CG2 4.06Å; F245-T299 HydrophobicContact CG-CG2 4.01Å; F245-T299 HydrophobicContact CZ-CG2 4.16Å; A295-T299 PolarHBondContact O-N 2.74Å; H296-T299 WeakPolarHBondContact O-CB 3.42Å; H296-T299 WeakPolarHBondContact O-CG2 3.39Å; H296-T299 PolarHBondContact O-N 3.36Å; H296-T299 PolarHBondContact O-OG1 3.31Å; L297-T299 VanDerWaalsContact C-N 3.25Å; L297-T299 PolarHBondContact O-N 2.69Å
300	R	96.1	Very high	95	Very high	9 Å²	9	49.8 Å²	49.8	3%	0.034	24%	0.24	C	C	.	.	S	Bend	trans	-96.3	141	179.1	-50.6	-55.9	179.1	152.3	-0.3	110.6	L247 K249 R251 L297 F298 I324 N328	L247-R300 VanDerWaalsContact CD1-NH1 3.29Å; K249-R300 PolarHBondContact O-NH1 3.06Å; K249-R300 VanDerWaalsContact O-NH1 3.16Å; K249-R300 PolarHBondContact O-NH2 2.86Å; R251-R300 HydrophobicContact CB-CG 4.29Å; L297-R300 WeakPolarHBondContact O-CB 3.47Å; L297-R300 WeakPolarHBondContact O-CG 3.4Å; L297-R300 PolarHBondContact O-N 3.18Å; F298-R300 PolarHBondContact O-N 2.73Å; R300-I324 WeakPolarHBondContact O-CD1 3.39Å; R300-N328 WeakPolarHBondContact CG-OD1 3.12Å
301	D	94.9	Very high	94.9	Very high	83 Å²	83	56 Å²	56	44%	0.444	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-71.9	150.7	172	-59.5	-50.1	0	0	0	111.6	R108 R251 L303	R108-D301 IonicContact CZ-OD2 3.23Å; R108-D301 IonicContact NE-OD2 3.85Å; R108-D301 PolarHBondContact NE-OD2 3.19Å; R108-D301 IonicContact NH2-OD2 2.8Å; R108-D301 PolarHBondContact NH2-OD2 3.02Å; R251-D301 PolarHBondContact NH1-O 3.42Å; R251-D301 PolarHBondContact NH2-O 3.04Å; R251-D301 VanDerWaalsContact NH2-O 3.15Å; D301-L303 PolarHBondContact O-N 3.4Å
302	P	95.6	Very high	94.5	Very high	69 Å²	69	58.4 Å²	58.4	45%	0.448	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-65.8	125.3	168.5	28.6	-33.6	0	0	0	109.7	V305 T323 I324	P302-V305 HydrophobicContact CB-CG2 4.07Å; P302-T323 HydrophobicContact CB-CG2 3.56Å; P302-I324 HydrophobicContact CB-CD1 3.94Å
303	L	94.1	Very high	94.3	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-83.6	-16.2	179.5	-66.8	174.7	0	0	0	113.3	L101 N104 I105 D229 D301 W329	L101-L303 HydrophobicContact CD2-CB 3.45Å; L101-L303 VanDerWaalsContact CD2-CB 3.45Å; L101-L303 HydrophobicContact CD2-CD1 4Å; L101-L303 HydrophobicContact CD2-CG 4.4Å; N104-L303 WeakPolarHBondContact CB-O 3.35Å; N104-L303 PolarHBondContact ND2-O 2.97Å; I105-L303 HydrophobicContact CD1-CD1 3.91Å; I105-L303 HydrophobicContact CG1-CD1 3.67Å; I105-L303 HydrophobicContact CG1-CD2 3.87Å; I105-L303 HydrophobicContact CG1-CG 4.36Å; D229-L303 HydrophobicContact CB-CD2 4.44Å; D301-L303 PolarHBondContact O-N 3.4Å; L303-W329 HydrophobicContact CD1-CH2 4.13Å; L303-W329 HydrophobicContact CD1-CZ3 4.48Å
304	Q	90.6	Very high	93.9	Very high	24 Å²	24	65.5 Å²	65.5	11%	0.112	33%	0.325	C	S	.	.			trans	-159.5	129.5	178.7	-179.4	178.6	12.4	0	0	110.3	R97 N100 L101 T323	R97-Q304 VanDerWaalsContact CB-OE1 3.28Å; N100-Q304 HydrophobicContact CB-CG 4.48Å; N100-Q304 PolarHBondContact ND2-NE2 2.89Å; L101-Q304 HydrophobicContact CD2-CB 4.43Å; Q304-T323 WeakPolarHBondContact O-CG2 3Å
305	V	91.8	Very high	93.6	Very high	70 Å²	70	72 Å²	72	42%	0.424	35%	0.354	S	S	.	.			trans	-135.4	132.9	166.5	-177.3	0	0	0	0	106.6	P302 V310 T323	P302-V305 HydrophobicContact CB-CG2 4.07Å; V305-V310 HydrophobicContact CG1-CG2 4.01Å; V305-T323 HydrophobicContact CG2-CG2 4.1Å
306	F	90.1	Very high	93.2	Very high	65 Å²	65	76.4 Å²	76.4	29%	0.285	38%	0.381	S	S	.	.			trans	-78.9	144.3	174.3	-66.3	-64.9	0	0	0	110.1	H95 P96 D308 R309 V310	H95-F306 AromaticContact CE1-CZ 3.83Å; P96-F306 HydrophobicContact CG-CE1 3.93Å; P96-F306 HydrophobicContact CG-CZ 4.23Å; F306-D308 VanDerWaalsContact C-N 3.27Å; F306-D308 WeakPolarHBondContact CB-OD1 3.47Å; F306-D308 PolarHBondContact O-N 2.77Å; F306-R309 HydrophobicContact CB-CB 4.1Å; F306-R309 HydrophobicContact CB-CG 3.89Å; F306-R309 CarbonylContact O-C 3.56Å; F306-R309 WeakPolarHBondContact O-CA 3.43Å; F306-R309 WeakPolarHBondContact O-CB 3.39Å; F306-R309 PolarHBondContact O-N 3.03Å; F306-V310 PolarHBondContact O-N 2.92Å
307	R	92.4	Very high	92.8	Very high	234 Å²	234	77.7 Å²	77.7	88%	0.883	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-60	-38.3	-172.7	-176.5	178.6	-179	178.2	1	112.7	R309 V310	R307-R309 PolarHBondContact O-N 3.13Å; R307-V310 WeakPolarHBondContact O-CG2 3.17Å
308	D	92.1	Very high	92.5	Very high	123 Å²	123	80 Å²	80	66%	0.658	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-74.1	-5.5	176	57.6	-55.9	0	0	0	113.7	F306	F306-D308 VanDerWaalsContact C-N 3.27Å; F306-D308 WeakPolarHBondContact CB-OD1 3.47Å; F306-D308 PolarHBondContact O-N 2.77Å
309	R	91.2	Very high	92.3	Very high	115 Å²	115	80.3 Å²	80.3	43%	0.434	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-116.8	13.4	-177	-59.5	-60.6	-176.7	153	0.2	112.8	F306 R307 Q312 E319 H320	F306-R309 HydrophobicContact CB-CB 4.1Å; F306-R309 HydrophobicContact CB-CG 3.89Å; F306-R309 CarbonylContact O-C 3.56Å; F306-R309 WeakPolarHBondContact O-CA 3.43Å; F306-R309 WeakPolarHBondContact O-CB 3.39Å; F306-R309 PolarHBondContact O-N 3.03Å; R307-R309 PolarHBondContact O-N 3.13Å; R309-Q312 PolarHBondContact O-NE2 3.21Å; R309-E319 WeakPolarHBondContact CD-OE2 3.25Å; R309-E319 IonicContact NH1-OE2 3.91Å; R309-H320 PolarHBondContact O-NE2 3.39Å; R309-H320 VanDerWaalsContact O-NE2 3.14Å
310	V	93.4	Very high	92.2	Very high	75 Å²	75	83.5 Å²	83.5	46%	0.455	42%	0.421	S	S	.	.	S	Bend	trans	-74.5	-39.3	178.4	174.1	0	0	0	0	111.4	V305 F306 R307 H320	V305-V310 HydrophobicContact CG1-CG2 4.01Å; F306-V310 PolarHBondContact O-N 2.92Å; R307-V310 WeakPolarHBondContact O-CG2 3.17Å; V310-H320 PolarHBondContact O-CE1 3.49Å; V310-H320 PolarHBondContact O-NE2 3.05Å
311	D	94.1	Very high	92.1	Very high	147 Å²	147	85.5 Å²	85.5	79%	0.786	43%	0.43	S	S	*	.	S	Bend	trans	-105	121.4	176.5	-58.2	-63	0	0	0	108.2
312	Q	90.4	Very high	92	Very high	50 Å²	50	84 Å²	84	23%	0.234	42%	0.421	C	S	.	.			trans	-135.5	163.2	179.5	-62.1	-161.8	25.2	0	0	111.2	R309 S317 E319 H320	R309-Q312 PolarHBondContact O-NE2 3.21Å; Q312-S317 VanDerWaalsContact OE1-CB 3.27Å; Q312-S317 PolarHBondContact OE1-OG 3.13Å; Q312-E319 PolarHBondContact NE2-OE2 2.9Å; Q312-E319 VanDerWaalsContact OE1-CB 3.3Å; Q312-H320 WeakPolarHBondContact CG-NE2 3.39Å
313	D	93	Very high	91.9	Very high	86 Å²	86	82 Å²	82	46%	0.46	41%	0.407	S	S	.	.			trans	-91.5	107.9	169.8	173.7	20.6	0	0	0	109.3	E315 T316 S317	D313-E315 PolarHBondContact O-N 2.68Å; D313-E315 WeakPolarHBondContact OD1-CB 3.3Å; D313-E315 PolarHBondContact OD1-N 3.48Å; D313-E315 VanDerWaalsContact OD1-N 3.17Å; D313-T316 PolarHBondContact O-N 2.72Å; D313-T316 VanDerWaalsContact O-N 3.12Å; D313-T316 PolarHBondContact O-OG1 2.96Å; D313-T316 WeakPolarHBondContact OD2-CG2 3.5Å; D313-T316 PolarHBondContact OD2-OG1 3.46Å; D313-S317 WeakPolarHBondContact O-CB 3.43Å; D313-S317 PolarHBondContact O-N 2.94Å
314	D	90.6	Very high	91.9	Very high	128 Å²	128	82.1 Å²	82.1	68%	0.684	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.6	-176.1	-68.8	-16.4	0	0	0	112.8	T316	D314-T316 VanDerWaalsContact C-N 3.32Å
315	E	89.2	Confident	92.1	Very high	161 Å²	161	81.3 Å²	81.3	75%	0.752	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-20.9	175.4	-65.2	-66.1	153.9	0	0	112.5	D313	D313-E315 PolarHBondContact O-N 2.68Å; D313-E315 WeakPolarHBondContact OD1-CB 3.3Å; D313-E315 PolarHBondContact OD1-N 3.48Å; D313-E315 VanDerWaalsContact OD1-N 3.17Å
316	T	89.9	Confident	92.2	Very high	92 Å²	92	79 Å²	79	56%	0.564	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-10.2	-175.5	58.8	0	0	0	0	113.8	D313 D314	D313-T316 PolarHBondContact O-N 2.72Å; D313-T316 VanDerWaalsContact O-N 3.12Å; D313-T316 PolarHBondContact O-OG1 2.96Å; D313-T316 WeakPolarHBondContact OD2-CG2 3.5Å; D313-T316 PolarHBondContact OD2-OG1 3.46Å; D314-T316 VanDerWaalsContact C-N 3.32Å
317	S	90	Very high	92.4	Very high	33 Å²	33	76.1 Å²	76.1	23%	0.231	38%	0.379	C	S	.	.			trans	-130.7	144.6	-178.7	-173.9	0	0	0	0	113.8	Q312 D313 E319	Q312-S317 VanDerWaalsContact OE1-CB 3.27Å; Q312-S317 PolarHBondContact OE1-OG 3.13Å; D313-S317 WeakPolarHBondContact O-CB 3.43Å; D313-S317 PolarHBondContact O-N 2.94Å; S317-E319 PolarHBondContact OG-N 3.22Å
318	T	91.2	Very high	92.7	Very high	50 Å²	50	65.3 Å²	65.3	31%	0.307	34%	0.338	S	S	.	.			trans	-114.8	12.2	171.8	58.1	0	0	0	0	112.8	H320 F321 E322 V339	T318-H320 VanDerWaalsContact C-N 3.31Å; T318-H320 PolarHBondContact O-N 2.71Å; T318-F321 WeakPolarHBondContact O-CB 3.35Å; T318-F321 PolarHBondContact O-N 3.24Å; T318-F321 VanDerWaalsContact O-N 3.11Å; T318-E322 PolarHBondContact O-N 3.04Å; T318-V339 HydrophobicContact CG2-CG2 3.56Å
319	E	91.1	Very high	92.9	Very high	59 Å²	59	60.5 Å²	60.5	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-36.4	-171.8	-167.7	178.7	167.6	0	0	112.9	R309 Q312 S317 E322 T323	R309-E319 WeakPolarHBondContact CD-OE2 3.25Å; R309-E319 IonicContact NH1-OE2 3.91Å; Q312-E319 PolarHBondContact NE2-OE2 2.9Å; Q312-E319 VanDerWaalsContact OE1-CB 3.3Å; S317-E319 PolarHBondContact OG-N 3.22Å; E319-E322 PolarHBondContact O-N 3.08Å; E319-T323 PolarHBondContact O-N 3.04Å; E319-T323 PolarHBondContact O-OG1 3.26Å
320	H	93.8	Very high	93.2	Very high	74 Å²	74	55.6 Å²	55.6	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-44.8	175.3	-77.8	-103.8	0	0	0	111.8	R309 V310 Q312 T318 T323	R309-H320 PolarHBondContact O-NE2 3.39Å; R309-H320 VanDerWaalsContact O-NE2 3.14Å; V310-H320 PolarHBondContact O-CE1 3.49Å; V310-H320 PolarHBondContact O-NE2 3.05Å; Q312-H320 WeakPolarHBondContact CG-NE2 3.39Å; T318-H320 VanDerWaalsContact C-N 3.31Å; T318-H320 PolarHBondContact O-N 2.71Å; H320-T323 WeakPolarHBondContact O-CB 3.44Å; H320-T323 PolarHBondContact O-N 2.78Å
321	F	94.2	Very high	93.4	Very high	51 Å²	51	52 Å²	52	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-46.6	173.4	171.5	-97.2	0	0	0	111.1	V294 F298 T318 T323 I324 Q325 P336	V294-F321 HydrophobicContact CG1-CE2 4.21Å; F298-F321 AromaticContact CE2-CD2 3.91Å; F298-F321 HydrophobicContact CE2-CD2 3.91Å; F298-F321 HydrophobicContact CE2-CE2 4.13Å; F298-F321 AromaticContact CZ-CD2 3.94Å; F298-F321 HydrophobicContact CZ-CD2 3.94Å; T318-F321 WeakPolarHBondContact O-CB 3.35Å; T318-F321 PolarHBondContact O-N 3.24Å; T318-F321 VanDerWaalsContact O-N 3.11Å; F321-T323 PolarHBondContact O-N 2.94Å; F321-I324 PolarHBondContact O-N 2.8Å; F321-I324 VanDerWaalsContact O-N 3.13Å; F321-Q325 HydrophobicContact CD1-CB 4.15Å; F321-Q325 HydrophobicContact CE1-CB 3.71Å; F321-Q325 HydrophobicContact CE1-CG 3.79Å; F321-Q325 HydrophobicContact CZ-CB 3.91Å; F321-Q325 HydrophobicContact CZ-CG 4.05Å; F321-Q325 WeakPolarHBondContact O-CB 3.42Å; F321-Q325 PolarHBondContact O-N 3.35Å; F321-P336 HydrophobicContact CE1-CG 3.8Å; F321-P336 HydrophobicContact CZ-CG 3.91Å
322	E	92.4	Very high	93.6	Very high	52 Å²	52	45 Å²	45	24%	0.243	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-24.6	179.4	-77.7	-64.7	162.7	0	0	113.2	T318 E319 I324 S326	T318-E322 PolarHBondContact O-N 3.04Å; E319-E322 PolarHBondContact O-N 3.08Å; E322-I324 VanDerWaalsContact C-N 3.31Å; E322-I324 PolarHBondContact O-N 2.98Å; E322-S326 WeakPolarHBondContact O-CA 3.16Å; E322-S326 WeakPolarHBondContact O-CB 3.45Å; E322-S326 PolarHBondContact O-N 3.43Å; E322-S326 PolarHBondContact O-OG 2.96Å
323	T	93.3	Very high	93.9	Very high	26 Å²	26	43.9 Å²	43.9	16%	0.16	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-41.8	173.2	-65.1	0	0	0	0	111.4	P302 Q304 V305 E319 H320 F321 S327	P302-T323 HydrophobicContact CB-CG2 3.56Å; Q304-T323 WeakPolarHBondContact O-CG2 3Å; V305-T323 HydrophobicContact CG2-CG2 4.1Å; E319-T323 PolarHBondContact O-N 3.04Å; E319-T323 PolarHBondContact O-OG1 3.26Å; H320-T323 WeakPolarHBondContact O-CB 3.44Å; H320-T323 PolarHBondContact O-N 2.78Å; F321-T323 PolarHBondContact O-N 2.94Å; T323-S327 WeakPolarHBondContact O-CB 3.34Å; T323-S327 PolarHBondContact O-OG 2.9Å
324	I	95.9	Very high	94.1	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-80.9	-48	175.7	-60.8	-55.4	0	0	0	110.9	L297 F298 R300 P302 F321 E322 S326 S327 N328	L297-I324 HydrophobicContact CB-CG2 4.2Å; L297-I324 VanDerWaalsContact O-CG2 3.23Å; L297-I324 WeakPolarHBondContact O-CG2 3.02Å; F298-I324 HydrophobicContact CD1-CG1 4.39Å; F298-I324 HydrophobicContact CD2-CB 4.43Å; F298-I324 HydrophobicContact CD2-CG2 3.81Å; F298-I324 HydrophobicContact CE1-CG1 4.2Å; F298-I324 HydrophobicContact CE2-CB 4.17Å; F298-I324 HydrophobicContact CE2-CG2 3.99Å; F298-I324 HydrophobicContact CG-CG2 4.2Å; F298-I324 HydrophobicContact CZ-CB 4.28Å; F298-I324 HydrophobicContact CZ-CG1 4.32Å; R300-I324 WeakPolarHBondContact O-CD1 3.39Å; P302-I324 HydrophobicContact CB-CD1 3.94Å; F321-I324 PolarHBondContact O-N 2.8Å; F321-I324 VanDerWaalsContact O-N 3.13Å; E322-I324 VanDerWaalsContact C-N 3.31Å; E322-I324 PolarHBondContact O-N 2.98Å; I324-S326 PolarHBondContact O-N 3.34Å; I324-S327 CarbonylContact O-C 3.57Å; I324-S327 PolarHBondContact O-N 3.2Å; I324-S327 PolarHBondContact O-OG 3.48Å; I324-S327 VanDerWaalsContact O-OG 3.08Å; I324-N328 PolarHBondContact O-N 3.3Å; I324-N328 VanDerWaalsContact O-N 3.1Å; I324-N328 PolarHBondContact O-ND2 2.78Å
325	Q	94.6	Very high	94.2	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-46.2	-175.6	170.9	61.3	-14.7	0	0	112.4	F321 S327 N328 R333 F334	F321-Q325 HydrophobicContact CD1-CB 4.15Å; F321-Q325 HydrophobicContact CE1-CB 3.71Å; F321-Q325 HydrophobicContact CE1-CG 3.79Å; F321-Q325 HydrophobicContact CZ-CB 3.91Å; F321-Q325 HydrophobicContact CZ-CG 4.05Å; F321-Q325 WeakPolarHBondContact O-CB 3.42Å; F321-Q325 PolarHBondContact O-N 3.35Å; Q325-S327 PolarHBondContact O-N 3.2Å; Q325-N328 PolarHBondContact O-N 3.34Å; Q325-R333 PolarHBondContact O-NH2 2.98Å; Q325-F334 PolarHBondContact NE2-O 3.28Å
326	S	93.7	Very high	94.3	Very high	22 Å²	22	29.3 Å²	29.3	15%	0.154	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.5	-178.5	76.2	0	0	0	0	113.3	R97 E322 I324 W329 R333	R97-S326 PolarHBondContact NH2-OG 3.5Å; E322-S326 WeakPolarHBondContact O-CA 3.16Å; E322-S326 WeakPolarHBondContact O-CB 3.45Å; E322-S326 PolarHBondContact O-N 3.43Å; E322-S326 PolarHBondContact O-OG 2.96Å; I324-S326 PolarHBondContact O-N 3.34Å; S326-W329 PolarHBondContact O-NE1 3Å; S326-R333 PolarHBondContact O-NH2 2.91Å
327	S	94.8	Very high	94.3	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.028	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.6	178.8	65.1	0	0	0	0	114.2	R251 T323 I324 Q325 W329	R251-S327 PolarHBondContact NE-O 3.14Å; R251-S327 PolarHBondContact NH2-OG 3.23Å; T323-S327 WeakPolarHBondContact O-CB 3.34Å; T323-S327 PolarHBondContact O-OG 2.9Å; I324-S327 CarbonylContact O-C 3.57Å; I324-S327 PolarHBondContact O-N 3.2Å; I324-S327 PolarHBondContact O-OG 3.48Å; I324-S327 VanDerWaalsContact O-OG 3.08Å; Q325-S327 PolarHBondContact O-N 3.2Å; S327-W329 WeakPolarHBondContact O-CZ3 3.22Å
328	N	97.1	Very high	94.1	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.032	14%	0.141	C	C	.	.			trans	-96	110.4	158.7	-78.1	-86.3	0	0	0	107.8	R251 L297 R300 I324 Q325 R333	R251-N328 CarbonylContact O-C 3.58Å; R251-N328 WeakPolarHBondContact O-CA 3.46Å; L297-N328 HydrophobicContact CD2-CB 3.65Å; L297-N328 PolarHBondContact O-ND2 2.8Å; R300-N328 WeakPolarHBondContact CG-OD1 3.12Å; I324-N328 PolarHBondContact O-N 3.3Å; I324-N328 VanDerWaalsContact O-N 3.1Å; I324-N328 PolarHBondContact O-ND2 2.78Å; Q325-N328 PolarHBondContact O-N 3.34Å; N328-R333 PolarHBondContact O-NH2 3.06Å
329	W	97.6	Very high	93.8	Very high	23 Å²	23	28.6 Å²	28.6	9%	0.087	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	81	-170.2	-61.5	-72.4	0	0	0	111	M161 V227 R251 Y252 D253 L303 S326 S327	M161-W329 HydrophobicContact CE-CD2 3.73Å; M161-W329 HydrophobicContact CE-CE3 3.98Å; M161-W329 HydrophobicContact CE-CG 4.26Å; M161-W329 HydrophobicContact CE-CH2 4.18Å; M161-W329 HydrophobicContact CE-CZ2 3.95Å; M161-W329 HydrophobicContact CE-CZ3 4.19Å; V227-W329 HydrophobicContact CB-CE3 4.43Å; V227-W329 HydrophobicContact CB-CZ3 3.89Å; V227-W329 HydrophobicContact CG1-CZ3 4.34Å; V227-W329 HydrophobicContact CG2-CE3 3.77Å; V227-W329 HydrophobicContact CG2-CZ3 3.74Å; R251-W329 HydrophobicContact CG-CE3 3.93Å; R251-W329 HydrophobicContact CG-CZ3 3.74Å; R251-W329 PolarHBondContact O-N 2.8Å; Y252-W329 VanDerWaalsContact CA-O 3.28Å; Y252-W329 WeakPolarHBondContact CA-O 3.45Å; Y252-W329 HydrophobicContact CD2-CB 3.22Å; Y252-W329 HydrophobicContact CD2-CD2 4.31Å; Y252-W329 HydrophobicContact CD2-CE3 4.42Å; Y252-W329 AromaticContact CD2-CG 3.87Å; Y252-W329 HydrophobicContact CD2-CG 3.87Å; Y252-W329 HydrophobicContact CE2-CB 3.82Å; Y252-W329 HydrophobicContact CE2-CG 4.48Å; Y252-W329 HydrophobicContact CG-CB 3.77Å; D253-W329 PolarHBondContact N-O 3.21Å; L303-W329 HydrophobicContact CD1-CH2 4.13Å; L303-W329 HydrophobicContact CD1-CZ3 4.48Å; S326-W329 PolarHBondContact O-NE1 3Å; S327-W329 WeakPolarHBondContact O-CZ3 3.22Å
330	Q	97.5	Very high	93.4	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.056	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	170.7	178.8	-72.3	172	-36.4	0	0	113.6	D253 D256 M332 R351	D253-Q330 WeakPolarHBondContact O-CA 3.36Å; D256-Q330 PolarHBondContact OD2-NE2 3.2Å; Q330-M332 VanDerWaalsContact C-N 3.29Å; Q330-M332 WeakPolarHBondContact CB-O 3.43Å; Q330-R351 WeakPolarHBondContact O-CD 3.27Å; Q330-R351 PolarHBondContact O-NE 2.87Å
331	N	97.6	Very high	92.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-66.5	-33.5	170.8	58.5	-38.6	0	0	0	111.4	T196 W220 S254 T255 R351 P352 M394	T196-N331 HydrophobicContact CG2-CB 4.08Å; T196-N331 PolarHBondContact OG1-ND2 2.96Å; W220-N331 HydrophobicContact CH2-CB 3.58Å; W220-N331 VanDerWaalsContact CH2-N 3.32Å; W220-N331 HydrophobicContact CZ2-CB 3.82Å; W220-N331 HydrophobicContact CZ3-CB 4.29Å; S254-N331 WeakPolarHBondContact CA-OD1 3.42Å; T255-N331 PolarHBondContact N-OD1 3.17Å; T255-N331 PolarHBondContact OG1-OD1 3.16Å; N331-R351 WeakPolarHBondContact O-CB 3.46Å; N331-R351 PolarHBondContact O-N 3.4Å; N331-P352 WeakPolarHBondContact O-CD 3.42Å; N331-M394 HydrophobicContact CB-CE 4.23Å
332	M	97.9	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140	168.3	-62.1	-58.2	-64.2	0	0	109.4	Y189 L192 T193 T196 Q330 V348 E349 F350	Y189-M332 HydrophobicContact CD2-CB 3.8Å; Y189-M332 HydrophobicContact CE1-CB 4.44Å; Y189-M332 HydrophobicContact CE2-CB 3.38Å; Y189-M332 HydrophobicContact CG-CB 4.49Å; L192-M332 HydrophobicContact CB-CE 3.54Å; L192-M332 HydrophobicContact CB-SD 4.11Å; L192-M332 HydrophobicContact CD1-CE 3.98Å; L192-M332 HydrophobicContact CG-CE 4.44Å; T193-M332 WeakPolarHBondContact OG1-CG 3.42Å; T196-M332 HydrophobicContact CG2-CG 3.83Å; T196-M332 HydrophobicContact CG2-SD 3.46Å; T196-M332 WeakPolarHBondContact CG2-SD 3.27Å; Q330-M332 VanDerWaalsContact C-N 3.29Å; Q330-M332 WeakPolarHBondContact CB-O 3.43Å; M332-V348 HydrophobicContact CE-CG1 3.33Å; M332-E349 WeakPolarHBondContact CA-O 3.22Å; M332-F350 HydrophobicContact CE-CB 4.47Å; M332-F350 HydrophobicContact CE-CD2 4.18Å; M332-F350 HydrophobicContact SD-CB 4.23Å; M332-F350 HydrophobicContact SD-CD2 3.52Å; M332-F350 VanDerWaalsContact SD-CD2 3.52Å; M332-F350 HydrophobicContact SD-CE2 4.2Å; M332-F350 HydrophobicContact SD-CG 4.14Å
333	R	97.3	Very high	91.6	Very high	26 Å²	26	37.3 Å²	37.3	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.9	172	179.1	-177.2	-76.5	171.9	-15.5	110.8	Q325 S326 N328 K335 V348 E349	Q325-R333 PolarHBondContact O-NH2 2.98Å; S326-R333 PolarHBondContact O-NH2 2.91Å; N328-R333 PolarHBondContact O-NH2 3.06Å; R333-K335 HydrophobicContact CG-CG 3.88Å; R333-V348 CarbonylContact O-C 3.5Å; R333-V348 WeakPolarHBondContact O-CA 3.43Å; R333-E349 HydrophobicContact CB-CB 4.16Å; R333-E349 WeakPolarHBondContact CD-OE2 3.49Å; R333-E349 PolarHBondContact N-O 3.05Å; R333-E349 IonicContact NH1-OE2 3.58Å; R333-E349 PolarHBondContact O-N 3.42Å
334	F	95.9	Very high	91.1	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.5	173.5	-172.6	-116.9	0	0	0	109.1	V182 A185 R186 Y189 L259 L290 Q325 W346	V182-F334 HydrophobicContact CG2-CZ 3.9Å; A185-F334 HydrophobicContact CB-CE2 3.7Å; R186-F334 HydrophobicContact CG-CE2 4.02Å; R186-F334 HydrophobicContact CG-CZ 3.82Å; Y189-F334 HydrophobicContact CD2-CB 3.79Å; Y189-F334 HydrophobicContact CE2-CB 3.94Å; L259-F334 HydrophobicContact CD1-CB 3.64Å; L259-F334 HydrophobicContact CD1-CD1 3.91Å; L259-F334 HydrophobicContact CD1-CD2 4.05Å; L259-F334 HydrophobicContact CD1-CG 3.62Å; L290-F334 HydrophobicContact CD1-CD1 4.09Å; L290-F334 HydrophobicContact CD1-CE1 3.82Å; L290-F334 HydrophobicContact CD2-CE1 4.42Å; Q325-F334 PolarHBondContact NE2-O 3.28Å; F334-W346 HydrophobicContact CD1-CE3 4.19Å; F334-W346 AromaticContact CD1-CZ3 4Å; F334-W346 HydrophobicContact CD1-CZ3 4Å; F334-W346 HydrophobicContact CE1-CD2 4.46Å; F334-W346 AromaticContact CE1-CE3 3.34Å; F334-W346 HydrophobicContact CE1-CE3 3.34Å; F334-W346 HydrophobicContact CE1-CH2 4.2Å; F334-W346 AromaticContact CE1-CZ3 3.18Å; F334-W346 HydrophobicContact CE1-CZ3 3.18Å; F334-W346 HydrophobicContact CE2-CE3 4.04Å; F334-W346 HydrophobicContact CZ-CD2 4.05Å; F334-W346 AromaticContact CZ-CE3 3.25Å; F334-W346 HydrophobicContact CZ-CE3 3.25Å; F334-W346 AromaticContact CZ-CZ3 3.6Å; F334-W346 HydrophobicContact CZ-CZ3 3.6Å
335	K	93.3	Very high	90.7	Very high	33 Å²	33	38.6 Å²	38.6	14%	0.143	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.8	-169.1	-66.7	175.9	64.3	65.1	0	109.4	T169 R333 R347 E349	T169-K335 HydrophobicContact CG2-CD 4.29Å; R333-K335 HydrophobicContact CG-CG 3.88Å; K335-R347 HydrophobicContact CB-CB 3.88Å; K335-R347 HydrophobicContact CD-CB 4.42Å; K335-R347 PolarHBondContact N-O 3.24Å; K335-R347 PolarHBondContact O-N 3.31Å; K335-E349 HydrophobicContact CD-CB 4.14Å
336	P	91.9	Very high	90.5	Very high	30 Å²	30	41.3 Å²	41.3	20%	0.195	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-57	156.2	170.2	-23.1	33.6	0	0	0	112.4	F321 W346 R347	F321-P336 HydrophobicContact CE1-CG 3.8Å; F321-P336 HydrophobicContact CZ-CG 3.91Å; P336-W346 HydrophobicContact CB-CE3 4.33Å; P336-W346 HydrophobicContact CB-CH2 4.16Å; P336-W346 HydrophobicContact CB-CZ3 3.82Å; P336-W346 HydrophobicContact CG-CH2 4.38Å; P336-W346 HydrophobicContact CG-CZ3 3.83Å; P336-R347 PolarHBondContact O-NH2 3.05Å
337	P	88.9	Confident	90.4	Very high	48 Å²	48	42.5 Å²	42.5	31%	0.312	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-62.3	141.1	166.3	28.5	-34.5	0	0	0	109.8	I344	P337-I344 WeakPolarHBondContact CB-O 3.35Å
338	P	85.6	Confident	90.4	Very high	31 Å²	31	42.5 Å²	42.5	20%	0.201	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-76.2	152.2	171.8	37	-37.7	0	0	0	110.5	D340 A341 I344	P338-D340 VanDerWaalsContact C-N 3.31Å; P338-D340 WeakPolarHBondContact CB-OD1 3.5Å; P338-D340 PolarHBondContact O-N 2.86Å; P338-A341 HydrophobicContact CG-CB 3.7Å; P338-I344 HydrophobicContact CG-CB 4.09Å; P338-I344 HydrophobicContact CG-CD1 4.31Å; P338-I344 HydrophobicContact CG-CG2 4.19Å
339	V	84.9	Confident	90.4	Very high	81 Å²	81	43.1 Å²	43.1	49%	0.491	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-31	-178.9	179.2	0	0	0	0	111.7	T318	T318-V339 HydrophobicContact CG2-CG2 3.56Å
340	D	82.6	Confident	90.4	Very high	140 Å²	140	42 Å²	42	75%	0.749	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.4	-173.9	67.6	-22.7	0	0	0	114.7	P338	P338-D340 VanDerWaalsContact C-N 3.31Å; P338-D340 WeakPolarHBondContact CB-OD1 3.5Å; P338-D340 PolarHBondContact O-N 2.86Å
341	A	82.4	Confident	90.4	Very high	28 Å²	28	42.1 Å²	42.1	23%	0.231	23%	0.232	C	C	.	.			trans	-133.9	83.8	179.7	0	0	0	0	0	112.6	P338 N343 I344	P338-A341 HydrophobicContact CG-CB 3.7Å; A341-N343 PolarHBondContact O-N 2.68Å; A341-I344 HydrophobicContact CB-CB 4.4Å; A341-I344 HydrophobicContact CB-CD1 3.8Å; A341-I344 HydrophobicContact CB-CG1 4.03Å; A341-I344 WeakPolarHBondContact O-CB 3.38Å; A341-I344 PolarHBondContact O-N 3.15Å
342	P	79	Confident	90.4	Very high	121 Å²	121	42.1 Å²	42.1	79%	0.786	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.7	-170.9	25.1	-35.3	0	0	0	114.9	I344	P342-I344 VanDerWaalsContact C-N 3.29Å
343	N	80.9	Confident	90.4	Very high	130 Å²	130	42.1 Å²	42.1	70%	0.695	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.9	176	-66.4	-38.8	0	0	0	113.2	Q171 A341	Q171-N343 PolarHBondContact NE2-O 3.08Å; Q171-N343 VanDerWaalsContact NE2-O 3.11Å; A341-N343 PolarHBondContact O-N 2.68Å
344	I	83.3	Confident	90.5	Very high	56 Å²	56	40.9 Å²	40.9	29%	0.287	23%	0.227	S	C	.	.			trans	-96	120.7	178.8	-60.2	-176.3	0	0	0	108.1	P337 P338 A341 P342 R347	P337-I344 WeakPolarHBondContact CB-O 3.35Å; P338-I344 HydrophobicContact CG-CB 4.09Å; P338-I344 HydrophobicContact CG-CD1 4.31Å; P338-I344 HydrophobicContact CG-CG2 4.19Å; A341-I344 HydrophobicContact CB-CB 4.4Å; A341-I344 HydrophobicContact CB-CD1 3.8Å; A341-I344 HydrophobicContact CB-CG1 4.03Å; A341-I344 WeakPolarHBondContact O-CB 3.38Å; A341-I344 PolarHBondContact O-N 3.15Å; P342-I344 VanDerWaalsContact C-N 3.29Å; I344-R347 VanDerWaalsContact CG2-NE 3.29Å
345	G	87.6	Confident	90.6	Very high	7 Å²	7	42 Å²	42	7%	0.072	23%	0.233	C	C	.	.			trans	-99.4	-162.1	177.5	0	0	0	0	0	113.3	Q171 R347	Q171-G345 VanDerWaalsContact CD-N 3.27Å; G345-R347 PolarHBondContact O-N 2.89Å
346	W	91.2	Very high	90.8	Very high	64 Å²	64	40.4 Å²	40.4	24%	0.242	23%	0.226	C	C	.	.			trans	-61.2	132.2	170.3	-65.8	94.3	0	0	0	110.5	V180 V182 A185 F334 P336	V180-W346 HydrophobicContact CG1-CB 4.35Å; V182-W346 HydrophobicContact CB-CD2 4.18Å; V182-W346 HydrophobicContact CB-CG 4.14Å; V182-W346 HydrophobicContact CB-CZ2 4.49Å; V182-W346 HydrophobicContact CG2-CD2 3.76Å; V182-W346 HydrophobicContact CG2-CE3 4.17Å; V182-W346 HydrophobicContact CG2-CG 4.18Å; V182-W346 HydrophobicContact CG2-CH2 4.28Å; V182-W346 HydrophobicContact CG2-CZ2 3.88Å; V182-W346 HydrophobicContact CG2-CZ3 4.41Å; A185-W346 HydrophobicContact CB-CB 3.67Å; F334-W346 HydrophobicContact CD1-CE3 4.19Å; F334-W346 AromaticContact CD1-CZ3 4Å; F334-W346 HydrophobicContact CD1-CZ3 4Å; F334-W346 HydrophobicContact CE1-CD2 4.46Å; F334-W346 AromaticContact CE1-CE3 3.34Å; F334-W346 HydrophobicContact CE1-CE3 3.34Å; F334-W346 HydrophobicContact CE1-CH2 4.2Å; F334-W346 AromaticContact CE1-CZ3 3.18Å; F334-W346 HydrophobicContact CE1-CZ3 3.18Å; F334-W346 HydrophobicContact CE2-CE3 4.04Å; F334-W346 HydrophobicContact CZ-CD2 4.05Å; F334-W346 AromaticContact CZ-CE3 3.25Å; F334-W346 HydrophobicContact CZ-CE3 3.25Å; F334-W346 AromaticContact CZ-CZ3 3.6Å; F334-W346 HydrophobicContact CZ-CZ3 3.6Å; P336-W346 HydrophobicContact CB-CE3 4.33Å; P336-W346 HydrophobicContact CB-CH2 4.16Å; P336-W346 HydrophobicContact CB-CZ3 3.82Å; P336-W346 HydrophobicContact CG-CH2 4.38Å; P336-W346 HydrophobicContact CG-CZ3 3.83Å
347	R	91.7	Very high	91	Very high	47 Å²	47	39 Å²	39	18%	0.177	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151	-175.2	-74.1	166.5	-62.1	165.5	2.6	111	T169 F170 Q171 K335 P336 I344 G345	T169-R347 HydrophobicContact CG2-CB 3.91Å; T169-R347 HydrophobicContact CG2-CG 4.23Å; F170-R347 WeakPolarHBondContact O-CA 3.48Å; F170-R347 WeakPolarHBondContact O-CB 3.38Å; F170-R347 WeakPolarHBondContact O-CG 3.48Å; Q171-R347 HydrophobicContact CB-CG 3.81Å; Q171-R347 HydrophobicContact CG-CG 4.2Å; K335-R347 HydrophobicContact CB-CB 3.88Å; K335-R347 HydrophobicContact CD-CB 4.42Å; K335-R347 PolarHBondContact N-O 3.24Å; K335-R347 PolarHBondContact O-N 3.31Å; P336-R347 PolarHBondContact O-NH2 3.05Å; I344-R347 VanDerWaalsContact CG2-NE 3.29Å; G345-R347 PolarHBondContact O-N 2.89Å
348	V	94.1	Very high	91.4	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.5	173.1	-177.6	0	0	0	0	107.8	T169 F170 A185 L188 Y189 M332 R333	T169-V348 CarbonylContact C-O 3.46Å; T169-V348 WeakPolarHBondContact CA-O 3.42Å; F170-V348 HydrophobicContact CD2-CB 4.45Å; F170-V348 VanDerWaalsContact CD2-O 3.26Å; F170-V348 WeakPolarHBondContact CD2-O 3.46Å; F170-V348 PolarHBondContact N-O 3.38Å; F170-V348 PolarHBondContact O-N 3.25Å; A185-V348 HydrophobicContact CB-CG2 4.18Å; A185-V348 WeakPolarHBondContact O-CG2 3.42Å; L188-V348 HydrophobicContact CB-CG2 4.39Å; Y189-V348 HydrophobicContact CD2-CG1 4.25Å; M332-V348 HydrophobicContact CE-CG1 3.33Å; R333-V348 CarbonylContact O-C 3.5Å; R333-V348 WeakPolarHBondContact O-CA 3.43Å
349	E	96.4	Very high	91.8	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.6	177.3	-175.5	-172.7	-151.9	0	0	110.2	Q167 V168 T169 M332 R333 K335 R351	Q167-E349 PolarHBondContact OE1-OE1 3.32Å; V168-E349 CarbonylContact O-C 3.2Å; V168-E349 WeakPolarHBondContact O-CA 3.25Å; T169-E349 WeakPolarHBondContact OG1-CG 3.47Å; M332-E349 WeakPolarHBondContact CA-O 3.22Å; R333-E349 HydrophobicContact CB-CB 4.16Å; R333-E349 WeakPolarHBondContact CD-OE2 3.49Å; R333-E349 PolarHBondContact N-O 3.05Å; R333-E349 IonicContact NH1-OE2 3.58Å; R333-E349 PolarHBondContact O-N 3.42Å; K335-E349 HydrophobicContact CD-CB 4.14Å; E349-R351 HydrophobicContact CB-CG 4.32Å; E349-R351 HydrophobicContact CG-CG 3.61Å; E349-R351 IonicContact OE1-NH1 3.59Å; E349-R351 PolarHBondContact OE1-NH1 3.11Å; E349-R351 WeakPolarHBondContact OE2-CD 3.41Å; E349-R351 IonicContact OE2-CZ 2.61Å; E349-R351 IonicContact OE2-NE 3.61Å; E349-R351 IonicContact OE2-NH1 3.68Å; E349-R351 PolarHBondContact OE2-NH1 2.91Å
350	F	97.6	Very high	92.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.4	174.8	-170	-81.6	0	0	0	109.2	Q167 V168 F170 L192 I195 T196 V199 M332 P352 T353 I369	Q167-F350 WeakPolarHBondContact CA-O 3.19Å; V168-F350 PolarHBondContact N-O 3.43Å; V168-F350 PolarHBondContact O-N 2.88Å; F170-F350 HydrophobicContact CE2-CB 3.76Å; F170-F350 HydrophobicContact CZ-CB 4.25Å; L192-F350 HydrophobicContact CB-CD2 4.14Å; L192-F350 HydrophobicContact CB-CE2 4.39Å; L192-F350 HydrophobicContact CD1-CD2 4.46Å; I195-F350 HydrophobicContact CB-CE2 4.32Å; I195-F350 HydrophobicContact CG2-CE2 4.26Å; I195-F350 HydrophobicContact CG2-CZ 4.29Å; T196-F350 HydrophobicContact CG2-CD2 4.05Å; T196-F350 HydrophobicContact CG2-CE2 3.58Å; T196-F350 HydrophobicContact CG2-CZ 3.96Å; V199-F350 HydrophobicContact CB-CE1 3.95Å; V199-F350 HydrophobicContact CB-CZ 3.83Å; V199-F350 HydrophobicContact CG1-CE1 3.86Å; V199-F350 HydrophobicContact CG1-CZ 4.26Å; V199-F350 HydrophobicContact CG2-CE1 4.22Å; V199-F350 HydrophobicContact CG2-CZ 3.81Å; M332-F350 HydrophobicContact CE-CB 4.47Å; M332-F350 HydrophobicContact CE-CD2 4.18Å; M332-F350 HydrophobicContact SD-CB 4.23Å; M332-F350 HydrophobicContact SD-CD2 3.52Å; M332-F350 VanDerWaalsContact SD-CD2 3.52Å; M332-F350 HydrophobicContact SD-CE2 4.2Å; M332-F350 HydrophobicContact SD-CG 4.14Å; F350-P352 HydrophobicContact CD1-CG 3.92Å; F350-P352 HydrophobicContact CE1-CG 3.38Å; F350-P352 HydrophobicContact CZ-CG 3.78Å; F350-T353 WeakPolarHBondContact CE1-OG1 3.18Å; F350-I369 HydrophobicContact CB-CG2 4.42Å; F350-I369 HydrophobicContact CD1-CD1 3.7Å; F350-I369 HydrophobicContact CD1-CG1 4.48Å; F350-I369 HydrophobicContact CD1-CG2 4.37Å; F350-I369 HydrophobicContact CD2-CG2 4.21Å; F350-I369 HydrophobicContact CE1-CD1 3.76Å; F350-I369 HydrophobicContact CE1-CG1 4.35Å; F350-I369 HydrophobicContact CG-CD1 4.48Å; F350-I369 HydrophobicContact CG-CG2 4.1Å
351	R	98.3	Very high	93	Very high	14 Å²	14	26.2 Å²	26.2	5%	0.053	14%	0.142	C	C	.	.			trans	-114	-13.2	-163.6	-58	168.7	56.2	71.2	12.8	118.1	Q167 R219 Q330 N331 E349 T353	Q167-R351 HydrophobicContact CG-CB 4.46Å; Q167-R351 VanDerWaalsContact OE1-NH1 3.14Å; R219-R351 PolarHBondContact NH2-O 2.75Å; Q330-R351 WeakPolarHBondContact O-CD 3.27Å; Q330-R351 PolarHBondContact O-NE 2.87Å; N331-R351 WeakPolarHBondContact O-CB 3.46Å; N331-R351 PolarHBondContact O-N 3.4Å; E349-R351 HydrophobicContact CB-CG 4.32Å; E349-R351 HydrophobicContact CG-CG 3.61Å; E349-R351 IonicContact OE1-NH1 3.59Å; E349-R351 PolarHBondContact OE1-NH1 3.11Å; E349-R351 WeakPolarHBondContact OE2-CD 3.41Å; E349-R351 IonicContact OE2-CZ 2.61Å; E349-R351 IonicContact OE2-NE 3.61Å; E349-R351 IonicContact OE2-NH1 3.68Å; E349-R351 PolarHBondContact OE2-NH1 2.91Å; R351-T353 PolarHBondContact O-N 3.48Å
352	P	98	Very high	93.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.			trans	-75.7	-24.5	-170.4	34	-41.3	0	0	0	113.6	T196 L200 R219 W220 N331 F350 E354	T196-P352 HydrophobicContact CG2-CG 3.91Å; L200-P352 HydrophobicContact CB-CB 4.3Å; L200-P352 WeakPolarHBondContact CD1-O 3.46Å; R219-P352 PolarHBondContact NH1-O 3.48Å; R219-P352 PolarHBondContact NH2-O 2.8Å; W220-P352 HydrophobicContact CE3-CB 4.41Å; W220-P352 HydrophobicContact CZ3-CB 4.23Å; N331-P352 WeakPolarHBondContact O-CD 3.42Å; F350-P352 HydrophobicContact CD1-CG 3.92Å; F350-P352 HydrophobicContact CE1-CG 3.38Å; F350-P352 HydrophobicContact CZ-CG 3.78Å; P352-E354 PolarHBondContact O-N 3.32Å
353	T	98.6	Very high	94.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-55.5	125.8	-168.8	-43.2	0	0	0	0	111.9	L166 V199 R219 F350 R351 F365	L166-T353 HydrophobicContact CB-CG2 4.12Å; L166-T353 HydrophobicContact CD2-CG2 4.06Å; L166-T353 HydrophobicContact CG-CG2 4.46Å; L166-T353 PolarHBondContact N-O 3Å; L166-T353 WeakPolarHBondContact O-CB 3.49Å; V199-T353 HydrophobicContact CG1-CG2 3.9Å; V199-T353 WeakPolarHBondContact CG1-OG1 3.32Å; R219-T353 PolarHBondContact NH1-O 3.41Å; R219-T353 PolarHBondContact NH2-O 2.92Å; R219-T353 VanDerWaalsContact NH2-O 3.08Å; F350-T353 WeakPolarHBondContact CE1-OG1 3.18Å; R351-T353 PolarHBondContact O-N 3.48Å; T353-F365 HydrophobicContact CG2-CB 4.13Å; T353-F365 HydrophobicContact CG2-CD1 4.21Å; T353-F365 HydrophobicContact CG2-CD2 4.44Å; T353-F365 HydrophobicContact CG2-CG 4.03Å
354	E	98.5	Very high	95.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-66.9	147.4	172.2	-67	-92.7	118.6	0	0	109.9	L200 S203 S205 T206 R219 P352 Q356	L200-E354 HydrophobicContact CD1-CG 4.11Å; S203-E354 WeakPolarHBondContact O-CB 3.2Å; S203-E354 PolarHBondContact OG-N 3.43Å; S205-E354 WeakPolarHBondContact CA-OE2 3.32Å; S205-E354 WeakPolarHBondContact CB-OE2 3.46Å; S205-E354 PolarHBondContact N-OE2 3.04Å; S205-E354 WeakPolarHBondContact OG-CB 3.33Å; S205-E354 PolarHBondContact OG-OE2 3.2Å; T206-E354 WeakPolarHBondContact CB-OE2 3.08Å; T206-E354 PolarHBondContact N-OE2 3.46Å; T206-E354 PolarHBondContact OG1-OE2 3.12Å; R219-E354 WeakPolarHBondContact CB-OE1 3.24Å; R219-E354 VanDerWaalsContact CD-OE1 3.3Å; R219-E354 WeakPolarHBondContact CD-OE1 3.49Å; R219-E354 WeakPolarHBondContact CG-OE1 3.38Å; R219-E354 IonicContact CZ-OE1 2.69Å; R219-E354 PolarHBondContact N-OE1 3.3Å; R219-E354 IonicContact NE-OE1 3.23Å; R219-E354 VanDerWaalsContact NH1-CD 3.3Å; R219-E354 IonicContact NH1-OE1 3.3Å; R219-E354 PolarHBondContact NH1-OE1 3.38Å; P352-E354 PolarHBondContact O-N 3.32Å; E354-Q356 PolarHBondContact O-NE2 3.48Å
355	L	97.6	Very high	96	Very high	29 Å²	29	10.5 Å²	10.5	15%	0.152	5%	0.048	C	C	.	.	P	Polyproline II helix	trans	-76.3	134.7	177.2	-171.3	65.4	0	0	0	109.9	F56 C164 L166 S205 N362	F56-L355 WeakPolarHBondContact CA-O 3.42Å; C164-L355 HydrophobicContact CB-CB 4.26Å; C164-L355 HydrophobicContact CB-CD2 3.68Å; L166-L355 HydrophobicContact CB-CD1 4.33Å; S205-L355 WeakPolarHBondContact CB-O 3.16Å; S205-L355 PolarHBondContact OG-O 2.92Å; L355-N362 WeakPolarHBondContact CD1-OD1 3.18Å
356	Q	97.8	Very high	96.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.048	C	C	.	.	P	Polyproline II helix	trans	-100.3	158.2	-177.2	-48.5	-57.9	-68.6	0	0	112	S55 S203 E354 T358 E361 N362 F365	S55-Q356 CarbonylContact C-O 3.57Å; S55-Q356 WeakPolarHBondContact CB-O 3.38Å; S55-Q356 CarbonylContact O-C 3.44Å; S55-Q356 PolarHBondContact OG-O 2.61Å; S203-Q356 PolarHBondContact O-NE2 3.4Å; E354-Q356 PolarHBondContact O-NE2 3.48Å; Q356-T358 PolarHBondContact O-N 2.9Å; Q356-E361 HydrophobicContact CB-CB 3.51Å; Q356-E361 HydrophobicContact CG-CB 3.99Å; Q356-N362 WeakPolarHBondContact CA-OD1 3.28Å; Q356-N362 VanDerWaalsContact CB-OD1 3.3Å; Q356-N362 WeakPolarHBondContact CB-OD1 3.34Å; Q356-N362 PolarHBondContact N-OD1 3.39Å; Q356-N362 PolarHBondContact O-ND2 3.15Å; Q356-F365 HydrophobicContact CG-CD2 3.65Å; Q356-F365 HydrophobicContact CG-CE2 3.63Å
357	L	96.6	Very high	96.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-61.7	-46	-174.8	-172.1	54.7	0	0	0	112.9	S55 L499 M531 I534 Q535 L544	S55-L357 WeakPolarHBondContact O-CA 3.2Å; S55-L357 PolarHBondContact O-N 3.44Å; S55-L357 PolarHBondContact OG-O 3.22Å; L357-L499 HydrophobicContact CB-CD1 4.38Å; L357-L499 HydrophobicContact CB-CD2 3.99Å; L357-L499 HydrophobicContact CD2-CD1 4.28Å; L357-M531 HydrophobicContact CD1-CB 3.96Å; L357-M531 HydrophobicContact CD1-CE 4.02Å; L357-M531 HydrophobicContact CD2-CB 4.01Å; L357-M531 HydrophobicContact CD2-CG 4.16Å; L357-I534 HydrophobicContact CD2-CB 3.87Å; L357-I534 HydrophobicContact CD2-CD1 4.5Å; L357-I534 HydrophobicContact CD2-CG2 3.75Å; L357-Q535 HydrophobicContact CD1-CB 4.02Å; L357-Q535 HydrophobicContact CG-CB 4.17Å; L357-Q535 WeakPolarHBondContact O-CG 3.42Å; L357-Q535 PolarHBondContact O-OE1 3Å; L357-L544 HydrophobicContact CD2-CD1 4.25Å
358	T	96	Very high	96.7	Very high	10 Å²	10	5.7 Å²	5.7	6%	0.061	3%	0.029	C	C	.	.	S	Bend	trans	-104.7	153	-175.8	67.6	0	0	0	0	113	Q356 F360 E361 N362 I534 L545	Q356-T358 PolarHBondContact O-N 2.9Å; T358-F360 PolarHBondContact O-N 3.41Å; T358-E361 WeakPolarHBondContact CB-OE2 3.38Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.14Å; T358-E361 PolarHBondContact N-OE2 3.37Å; T358-E361 PolarHBondContact O-N 2.98Å; T358-E361 WeakPolarHBondContact OG1-CB 3.37Å; T358-E361 VanDerWaalsContact OG1-CD 3.25Å; T358-E361 WeakPolarHBondContact OG1-CG 3.46Å; T358-E361 PolarHBondContact OG1-N 3.43Å; T358-E361 VanDerWaalsContact OG1-N 3.08Å; T358-E361 PolarHBondContact OG1-OE2 3.47Å; T358-N362 PolarHBondContact O-N 3.48Å; T358-N362 PolarHBondContact O-ND2 3.06Å; T358-I534 HydrophobicContact CG2-CG2 4.48Å; T358-L545 HydrophobicContact CG2-CD1 4.12Å; T358-L545 HydrophobicContact CG2-CD2 4.32Å
359	D	94.4	Very high	96.8	Very high	16 Å²	16	5.6 Å²	5.6	9%	0.086	3%	0.029	C	C	.	.	H	α-helix	trans	-60.2	-31.8	171.2	-62.4	-38.8	0	0	0	111.9	E33 M36 R37 R40 A363	E33-D359 HydrophobicContact CG-CB 4.31Å; M36-D359 HydrophobicContact CB-CB 3.96Å; R37-D359 WeakPolarHBondContact CA-OD2 3.39Å; R40-D359 IonicContact CZ-OD1 3.14Å; R40-D359 IonicContact CZ-OD2 3.98Å; R40-D359 IonicContact NE-OD1 3.55Å; R40-D359 PolarHBondContact NE-OD1 3.18Å; R40-D359 IonicContact NE-OD2 3.95Å; R40-D359 PolarHBondContact NE-OD2 3.45Å; R40-D359 VanDerWaalsContact NE-OD2 3.08Å; R40-D359 IonicContact NH2-OD1 3.08Å; R40-D359 PolarHBondContact NH2-OD1 3.15Å; R40-D359 IonicContact NH2-OD2 3.7Å; D359-A363 WeakPolarHBondContact O-CB 3.45Å; D359-A363 PolarHBondContact O-N 3.28Å
360	F	95.7	Very high	96.6	Very high	5 Å²	5	6.1 Å²	6.1	2%	0.022	3%	0.033	C	C	.	.	H	α-helix	trans	-62.4	-49.1	174.3	172.5	-101.7	0	0	0	111.9	T358 A363 A364 Y484 L487 L545 F548	T358-F360 PolarHBondContact O-N 3.41Å; F360-A363 PolarHBondContact O-N 3.36Å; F360-A364 WeakPolarHBondContact O-CB 3.39Å; F360-A364 PolarHBondContact O-N 2.79Å; F360-Y484 AromaticContact CD2-CD1 3.89Å; F360-Y484 HydrophobicContact CD2-CD1 3.89Å; F360-Y484 AromaticContact CD2-CE1 3.4Å; F360-Y484 HydrophobicContact CD2-CE1 3.4Å; F360-Y484 VanDerWaalsContact CD2-CE1 3.4Å; F360-Y484 AromaticContact CE2-CD1 3.35Å; F360-Y484 HydrophobicContact CE2-CD1 3.35Å; F360-Y484 AromaticContact CE2-CE1 3.31Å; F360-Y484 HydrophobicContact CE2-CE1 3.31Å; F360-Y484 HydrophobicContact CG-CE1 4.37Å; F360-Y484 AromaticContact CZ-CD1 3.91Å; F360-Y484 HydrophobicContact CZ-CD1 3.91Å; F360-Y484 HydrophobicContact CZ-CE1 4.28Å; F360-L487 HydrophobicContact CD1-CD2 4.34Å; F360-L487 HydrophobicContact CE1-CB 4.2Å; F360-L487 HydrophobicContact CE1-CD1 4.16Å; F360-L487 HydrophobicContact CE1-CD2 3.96Å; F360-L487 HydrophobicContact CE1-CG 4.32Å; F360-L487 HydrophobicContact CZ-CB 4.49Å; F360-L545 HydrophobicContact CD1-CD2 4.4Å; F360-F548 HydrophobicContact CD1-CB 4.32Å; F360-F548 HydrophobicContact CE1-CB 3.77Å; F360-F548 AromaticContact CE1-CD2 3.73Å; F360-F548 HydrophobicContact CE1-CD2 3.73Å; F360-F548 HydrophobicContact CE1-CE2 4.43Å; F360-F548 AromaticContact CE1-CG 3.76Å; F360-F548 HydrophobicContact CE1-CG 3.76Å; F360-F548 HydrophobicContact CZ-CB 4.16Å; F360-F548 HydrophobicContact CZ-CD1 4.17Å; F360-F548 HydrophobicContact CZ-CD2 4.01Å; F360-F548 HydrophobicContact CZ-CE1 4.5Å; F360-F548 HydrophobicContact CZ-CE2 4.43Å; F360-F548 AromaticContact CZ-CG 3.85Å; F360-F548 HydrophobicContact CZ-CG 3.85Å
361	E	97.7	Very high	96.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.8	-42	178.9	-68.8	161.1	124.9	0	0	111.3	Q356 T358 A364 F365 L487 R491 L545	Q356-E361 HydrophobicContact CB-CB 3.51Å; Q356-E361 HydrophobicContact CG-CB 3.99Å; T358-E361 WeakPolarHBondContact CB-OE2 3.38Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.14Å; T358-E361 PolarHBondContact N-OE2 3.37Å; T358-E361 PolarHBondContact O-N 2.98Å; T358-E361 WeakPolarHBondContact OG1-CB 3.37Å; T358-E361 VanDerWaalsContact OG1-CD 3.25Å; T358-E361 WeakPolarHBondContact OG1-CG 3.46Å; T358-E361 PolarHBondContact OG1-N 3.43Å; T358-E361 VanDerWaalsContact OG1-N 3.08Å; T358-E361 PolarHBondContact OG1-OE2 3.47Å; E361-A364 WeakPolarHBondContact O-CB 3.45Å; E361-A364 PolarHBondContact O-N 3.04Å; E361-F365 WeakPolarHBondContact O-CD2 3.22Å; E361-F365 PolarHBondContact O-N 3.24Å; E361-F365 VanDerWaalsContact O-N 3.16Å; E361-L487 HydrophobicContact CB-CD2 4.14Å; E361-L487 HydrophobicContact CG-CD1 4.46Å; E361-L487 HydrophobicContact CG-CD2 3.87Å; E361-R491 IonicContact OE1-CZ 3.48Å; E361-R491 IonicContact OE1-NH2 2.77Å; E361-R491 PolarHBondContact OE1-NH2 2.88Å; E361-L545 HydrophobicContact CG-CD2 3.69Å
362	N	97	Very high	96.1	Very high	5 Å²	5	5.5 Å²	5.5	3%	0.027	3%	0.031	C	C	.	.	H	α-helix	trans	-62.9	-47.5	176.5	-71.2	-50.9	0	0	0	111.4	M36 L166 L355 Q356 T358 A364 F365 V366	M36-N362 HydrophobicContact CE-CB 4.05Å; M36-N362 HydrophobicContact SD-CB 3.6Å; M36-N362 VanDerWaalsContact SD-CB 3.6Å; L166-N362 HydrophobicContact CD2-CB 4.26Å; L166-N362 WeakPolarHBondContact CD2-O 3.31Å; L355-N362 WeakPolarHBondContact CD1-OD1 3.18Å; Q356-N362 WeakPolarHBondContact CA-OD1 3.28Å; Q356-N362 VanDerWaalsContact CB-OD1 3.3Å; Q356-N362 WeakPolarHBondContact CB-OD1 3.34Å; Q356-N362 PolarHBondContact N-OD1 3.39Å; Q356-N362 PolarHBondContact O-ND2 3.15Å; T358-N362 PolarHBondContact O-N 3.48Å; T358-N362 PolarHBondContact O-ND2 3.06Å; N362-A364 VanDerWaalsContact C-N 3.29Å; N362-A364 PolarHBondContact O-N 2.89Å; N362-F365 PolarHBondContact O-N 3.02Å; N362-V366 WeakPolarHBondContact O-CG2 3.47Å; N362-V366 PolarHBondContact O-N 2.84Å
363	A	95.5	Very high	95.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.2	-39.4	175.3	0	0	0	0	0	111.6	V32 E33 M36 D359 F360 F365 V366 C367 Y484	V32-A363 HydrophobicContact CB-CB 4.32Å; V32-A363 HydrophobicContact CG1-CB 3.89Å; E33-A363 HydrophobicContact CB-CB 3.73Å; M36-A363 HydrophobicContact SD-CB 4.24Å; D359-A363 WeakPolarHBondContact O-CB 3.45Å; D359-A363 PolarHBondContact O-N 3.28Å; F360-A363 PolarHBondContact O-N 3.36Å; A363-F365 PolarHBondContact O-N 2.91Å; A363-V366 PolarHBondContact O-N 3.06Å; A363-C367 VanDerWaalsContact O-CB 3.23Å; A363-C367 WeakPolarHBondContact O-CB 3.45Å; A363-C367 PolarHBondContact O-N 3.15Å; A363-C367 PolarHBondContact O-SG 3.13Å; A363-Y484 HydrophobicContact CB-CE1 4.12Å; A363-Y484 HydrophobicContact CB-CE2 4.5Å
364	A	96.9	Very high	95.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.1	-45	177.6	0	0	0	0	0	112.5	F360 E361 N362 F368 Y484 L487	F360-A364 WeakPolarHBondContact O-CB 3.39Å; F360-A364 PolarHBondContact O-N 2.79Å; E361-A364 WeakPolarHBondContact O-CB 3.45Å; E361-A364 PolarHBondContact O-N 3.04Å; N362-A364 VanDerWaalsContact C-N 3.29Å; N362-A364 PolarHBondContact O-N 2.89Å; A364-F368 VanDerWaalsContact O-CB 3.24Å; A364-F368 WeakPolarHBondContact O-CB 3.26Å; A364-F368 PolarHBondContact O-N 3.06Å; A364-Y484 HydrophobicContact CB-CD1 3.53Å; A364-Y484 HydrophobicContact CB-CE1 4.37Å; A364-Y484 HydrophobicContact CB-CG 3.89Å; A364-L487 HydrophobicContact CB-CD2 3.56Å
365	F	98	Very high	95	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.6	-43.8	175.2	-81.5	-70.8	0	0	0	112.7	L166 V199 L202 T353 Q356 E361 N362 A363 C367 F368 I369 I488	L166-F365 HydrophobicContact CD2-CB 3.85Å; V199-F365 HydrophobicContact CG1-CD1 4.16Å; V199-F365 HydrophobicContact CG1-CE1 4.34Å; L202-F365 HydrophobicContact CB-CE1 4.08Å; L202-F365 HydrophobicContact CB-CZ 4.35Å; T353-F365 HydrophobicContact CG2-CB 4.13Å; T353-F365 HydrophobicContact CG2-CD1 4.21Å; T353-F365 HydrophobicContact CG2-CD2 4.44Å; T353-F365 HydrophobicContact CG2-CG 4.03Å; Q356-F365 HydrophobicContact CG-CD2 3.65Å; Q356-F365 HydrophobicContact CG-CE2 3.63Å; E361-F365 WeakPolarHBondContact O-CD2 3.22Å; E361-F365 PolarHBondContact O-N 3.24Å; E361-F365 VanDerWaalsContact O-N 3.16Å; N362-F365 PolarHBondContact O-N 3.02Å; A363-F365 PolarHBondContact O-N 2.91Å; F365-C367 PolarHBondContact O-N 2.98Å; F365-F368 PolarHBondContact O-N 2.67Å; F365-I369 WeakPolarHBondContact O-CD1 3.46Å; F365-I369 VanDerWaalsContact O-CG1 3.23Å; F365-I369 WeakPolarHBondContact O-CG1 3.4Å; F365-I369 PolarHBondContact O-N 2.88Å; F365-I488 HydrophobicContact CD1-CD1 3.69Å; F365-I488 HydrophobicContact CD2-CD1 4.4Å; F365-I488 HydrophobicContact CE1-CD1 3.59Å; F365-I488 HydrophobicContact CE2-CD1 4.32Å; F365-I488 HydrophobicContact CG-CD1 4.1Å; F365-I488 HydrophobicContact CZ-CD1 3.92Å
366	V	95.5	Very high	94.6	Very high	14 Å²	14	7.5 Å²	7.5	9%	0.085	4%	0.036	C	C	.	.	H	α-helix	trans	-57.3	-53.4	176.8	173.8	0	0	0	0	110	V32 M36 L166 V168 N362 A363 F368 I369 V370	V32-V366 HydrophobicContact CG1-CB 4.23Å; V32-V366 HydrophobicContact CG1-CG1 4.13Å; M36-V366 HydrophobicContact CE-CG2 3.69Å; L166-V366 HydrophobicContact CD1-CG2 3.82Å; L166-V366 HydrophobicContact CD2-CG2 3.9Å; L166-V366 HydrophobicContact CG-CG2 4.15Å; V168-V366 HydrophobicContact CG1-CG1 4.29Å; V168-V366 HydrophobicContact CG2-CB 4.31Å; V168-V366 HydrophobicContact CG2-CG1 4.24Å; V168-V366 HydrophobicContact CG2-CG2 3.88Å; N362-V366 WeakPolarHBondContact O-CG2 3.47Å; N362-V366 PolarHBondContact O-N 2.84Å; A363-V366 PolarHBondContact O-N 3.06Å; V366-F368 VanDerWaalsContact C-N 3.33Å; V366-F368 PolarHBondContact O-N 3.21Å; V366-I369 PolarHBondContact O-N 2.78Å; V366-V370 HydrophobicContact CG1-CG2 4.16Å; V366-V370 VanDerWaalsContact O-CG2 3.25Å; V366-V370 WeakPolarHBondContact O-CG2 3.4Å; V366-V370 PolarHBondContact O-N 2.95Å
367	C	94.3	Very high	94.1	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	5%	0.047	C	C	.	.	H	α-helix	trans	-60.2	-42.3	-180	-69.2	0	0	0	0	111.6	F29 A363 F365 I369 V370 L371 L481 Y484	F29-C367 HydrophobicContact CD1-CB 3.53Å; F29-C367 WeakPolarHBondContact CD1-SG 3.5Å; F29-C367 HydrophobicContact CE1-CB 3.76Å; F29-C367 VanDerWaalsContact CE1-O 3.31Å; F29-C367 WeakPolarHBondContact CE1-O 3.5Å; A363-C367 VanDerWaalsContact O-CB 3.23Å; A363-C367 WeakPolarHBondContact O-CB 3.45Å; A363-C367 PolarHBondContact O-N 3.15Å; A363-C367 PolarHBondContact O-SG 3.13Å; F365-C367 PolarHBondContact O-N 2.98Å; C367-I369 PolarHBondContact O-N 2.95Å; C367-V370 PolarHBondContact O-N 3.49Å; C367-L371 WeakPolarHBondContact O-CB 3.18Å; C367-L371 PolarHBondContact O-N 3.03Å; C367-L481 HydrophobicContact CB-CD2 4.15Å; C367-Y484 HydrophobicContact CB-CD2 3.81Å; C367-Y484 HydrophobicContact CB-CE2 4.31Å
368	F	96.6	Very high	93.6	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-47.5	176	170.6	-116.6	0	0	0	112.1	V199 A364 F365 V366 L371 L372 L460 I461 L485 I488	V199-F368 HydrophobicContact CG2-CE1 4.27Å; A364-F368 VanDerWaalsContact O-CB 3.24Å; A364-F368 WeakPolarHBondContact O-CB 3.26Å; A364-F368 PolarHBondContact O-N 3.06Å; F365-F368 PolarHBondContact O-N 2.67Å; V366-F368 VanDerWaalsContact C-N 3.33Å; V366-F368 PolarHBondContact O-N 3.21Å; F368-L371 PolarHBondContact O-N 3.31Å; F368-L372 HydrophobicContact CZ-CD2 4.42Å; F368-L372 WeakPolarHBondContact O-CB 3.35Å; F368-L372 PolarHBondContact O-N 2.74Å; F368-L460 HydrophobicContact CE2-CB 4.36Å; F368-L460 HydrophobicContact CZ-CB 4.26Å; F368-L460 HydrophobicContact CZ-CD1 4.11Å; F368-I461 HydrophobicContact CD2-CD1 4Å; F368-I461 HydrophobicContact CE2-CD1 3.81Å; F368-L485 HydrophobicContact CD2-CD2 3.84Å; F368-I488 HydrophobicContact CB-CG1 4.21Å; F368-I488 HydrophobicContact CD1-CG2 4.45Å; F368-I488 HydrophobicContact CE1-CG2 4.47Å; F368-I488 HydrophobicContact CG-CG1 4.32Å
369	I	95.8	Very high	93.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-68	-44.2	-178.3	-57.3	157.8	0	0	0	110.6	V168 F170 V199 F350 F365 V366 C367 L371 L372 T373	V168-I369 HydrophobicContact CG2-CD1 4.25Å; F170-I369 HydrophobicContact CE1-CG2 4.15Å; F170-I369 HydrophobicContact CE2-CG2 4.27Å; F170-I369 HydrophobicContact CZ-CB 4.33Å; F170-I369 HydrophobicContact CZ-CG2 3.43Å; F170-I369 VanDerWaalsContact CZ-CG2 3.43Å; V199-I369 HydrophobicContact CG1-CD1 4.44Å; F350-I369 HydrophobicContact CB-CG2 4.42Å; F350-I369 HydrophobicContact CD1-CD1 3.7Å; F350-I369 HydrophobicContact CD1-CG1 4.48Å; F350-I369 HydrophobicContact CD1-CG2 4.37Å; F350-I369 HydrophobicContact CD2-CG2 4.21Å; F350-I369 HydrophobicContact CE1-CD1 3.76Å; F350-I369 HydrophobicContact CE1-CG1 4.35Å; F350-I369 HydrophobicContact CG-CD1 4.48Å; F350-I369 HydrophobicContact CG-CG2 4.1Å; F365-I369 WeakPolarHBondContact O-CD1 3.46Å; F365-I369 VanDerWaalsContact O-CG1 3.23Å; F365-I369 WeakPolarHBondContact O-CG1 3.4Å; F365-I369 PolarHBondContact O-N 2.88Å; V366-I369 PolarHBondContact O-N 2.78Å; C367-I369 PolarHBondContact O-N 2.95Å; I369-L371 VanDerWaalsContact C-N 3.34Å; I369-L371 PolarHBondContact O-N 2.79Å; I369-L372 WeakPolarHBondContact O-CB 3.37Å; I369-L372 PolarHBondContact O-N 2.62Å; I369-T373 WeakPolarHBondContact O-CG2 3.23Å; I369-T373 PolarHBondContact O-N 3.46Å
370	V	92.5	Very high	92.9	Very high	32 Å²	32	22.9 Å²	22.9	19%	0.194	11%	0.11	C	C	.	.	H	α-helix	trans	-62.7	-41.1	176.6	179.5	0	0	0	0	111.1	F29 V168 F170 V366 C367 L372 T373 R374	F29-V370 HydrophobicContact CE1-CB 4.24Å; F29-V370 HydrophobicContact CE1-CG1 4.37Å; F29-V370 HydrophobicContact CE2-CG1 3.88Å; F29-V370 HydrophobicContact CZ-CB 3.82Å; F29-V370 HydrophobicContact CZ-CG1 3.49Å; F29-V370 VanDerWaalsContact CZ-CG1 3.49Å; V168-V370 HydrophobicContact CG1-CG2 4.01Å; F170-V370 HydrophobicContact CD1-CG2 4.24Å; F170-V370 HydrophobicContact CE1-CB 4.29Å; F170-V370 HydrophobicContact CE1-CG2 3.65Å; V366-V370 HydrophobicContact CG1-CG2 4.16Å; V366-V370 VanDerWaalsContact O-CG2 3.25Å; V366-V370 WeakPolarHBondContact O-CG2 3.4Å; V366-V370 PolarHBondContact O-N 2.95Å; C367-V370 PolarHBondContact O-N 3.49Å; V370-L372 VanDerWaalsContact C-N 3.29Å; V370-L372 PolarHBondContact O-N 3.41Å; V370-T373 PolarHBondContact O-N 3.34Å; V370-T373 PolarHBondContact O-OG1 2.96Å; V370-R374 PolarHBondContact O-N 3.12Å
371	L	92.6	Very high	92.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-38.4	176.1	-175.9	58.8	0	0	0	110.9	F29 C367 F368 I369 T373 R374 V375 C464 Y467 L468 L481 L485	F29-L371 HydrophobicContact CE1-CB 4.24Å; F29-L371 HydrophobicContact CZ-CB 4.37Å; C367-L371 WeakPolarHBondContact O-CB 3.18Å; C367-L371 PolarHBondContact O-N 3.03Å; F368-L371 PolarHBondContact O-N 3.31Å; I369-L371 VanDerWaalsContact C-N 3.34Å; I369-L371 PolarHBondContact O-N 2.79Å; L371-T373 VanDerWaalsContact C-N 3.33Å; L371-T373 PolarHBondContact O-N 3.19Å; L371-R374 WeakPolarHBondContact O-CB 3.34Å; L371-R374 PolarHBondContact O-N 2.91Å; L371-V375 HydrophobicContact CG-CG2 4.44Å; L371-V375 VanDerWaalsContact O-CG2 3.23Å; L371-V375 WeakPolarHBondContact O-CG2 3.23Å; L371-V375 PolarHBondContact O-N 3.47Å; L371-C464 HydrophobicContact CD2-CB 3.68Å; L371-C464 HydrophobicContact CG-CB 4.18Å; L371-Y467 HydrophobicContact CD1-CD1 3.65Å; L371-Y467 HydrophobicContact CD1-CE1 3.9Å; L371-L468 HydrophobicContact CD1-CD2 3.87Å; L371-L468 HydrophobicContact CD1-CG 4.24Å; L371-L468 HydrophobicContact CD2-CD1 3.86Å; L371-L468 HydrophobicContact CD2-CD2 4.33Å; L371-L468 HydrophobicContact CD2-CG 4.1Å; L371-L481 HydrophobicContact CD2-CD2 4.48Å; L371-L485 HydrophobicContact CD2-CD1 4.1Å; L371-L485 HydrophobicContact CD2-CD2 4.3Å
372	L	93.4	Very high	92.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-35.9	177.8	-170.8	62.2	0	0	0	112.2	I195 F368 I369 V370 R374 V375 I376 F383 L460	I195-L372 HydrophobicContact CD1-CD2 4.22Å; I195-L372 HydrophobicContact CG1-CD2 4.06Å; I195-L372 HydrophobicContact CG2-CD2 3.93Å; F368-L372 HydrophobicContact CZ-CD2 4.42Å; F368-L372 WeakPolarHBondContact O-CB 3.35Å; F368-L372 PolarHBondContact O-N 2.74Å; I369-L372 WeakPolarHBondContact O-CB 3.37Å; I369-L372 PolarHBondContact O-N 2.62Å; V370-L372 VanDerWaalsContact C-N 3.29Å; V370-L372 PolarHBondContact O-N 3.41Å; L372-R374 VanDerWaalsContact C-N 3.3Å; L372-R374 PolarHBondContact O-N 2.85Å; L372-V375 PolarHBondContact O-N 3.48Å; L372-I376 HydrophobicContact CG-CD1 4.11Å; L372-I376 HydrophobicContact CG-CG1 4.45Å; L372-I376 WeakPolarHBondContact O-CD1 3.44Å; L372-I376 WeakPolarHBondContact O-CG1 3.36Å; L372-I376 PolarHBondContact O-N 3.39Å; L372-F383 HydrophobicContact CD1-CE2 4.28Å; L372-F383 HydrophobicContact CD1-CZ 4.3Å; L372-L460 HydrophobicContact CD1-CD2 4.24Å; L372-L460 HydrophobicContact CD2-CD1 4.48Å
373	T	91.6	Very high	92.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.1	-42.7	173.9	72	0	0	0	0	111.3	F170 L188 L192 I369 V370 L371 I376 L377	F170-T373 HydrophobicContact CD1-CG2 3.81Å; F170-T373 HydrophobicContact CD2-CG2 4.48Å; F170-T373 HydrophobicContact CE1-CG2 3.81Å; F170-T373 HydrophobicContact CG-CG2 4.18Å; F170-T373 HydrophobicContact CZ-CG2 4.22Å; L188-T373 HydrophobicContact CD2-CG2 4.42Å; L192-T373 HydrophobicContact CD1-CG2 3.97Å; L192-T373 HydrophobicContact CD2-CG2 4.39Å; I369-T373 WeakPolarHBondContact O-CG2 3.23Å; I369-T373 PolarHBondContact O-N 3.46Å; V370-T373 PolarHBondContact O-N 3.34Å; V370-T373 PolarHBondContact O-OG1 2.96Å; L371-T373 VanDerWaalsContact C-N 3.33Å; L371-T373 PolarHBondContact O-N 3.19Å; T373-I376 PolarHBondContact O-N 3.37Å; T373-L377 WeakPolarHBondContact O-CG 3.13Å; T373-L377 PolarHBondContact O-N 3.37Å; T373-L377 VanDerWaalsContact O-N 3.14Å
374	R	88.4	Confident	92.2	Very high	71 Å²	71	22.6 Å²	22.6	27%	0.268	11%	0.109	S	C	.	.	H	α-helix	trans	-63.3	-42.5	176.5	-59.9	-67.4	179.6	-166.6	-11.9	112.2	L26 E172 V370 L371 L372 L377 S378 Y467	L26-R374 HydrophobicContact CD2-CG 4.2Å; E172-R374 VanDerWaalsContact CD-NH2 3.28Å; E172-R374 IonicContact OE1-CZ 3.53Å; E172-R374 IonicContact OE1-NE 3.45Å; E172-R374 PolarHBondContact OE1-NE 3.22Å; E172-R374 IonicContact OE1-NH1 3.53Å; E172-R374 PolarHBondContact OE1-NH1 2.98Å; E172-R374 VanDerWaalsContact OE1-NH1 3.12Å; E172-R374 IonicContact OE1-NH2 3.76Å; E172-R374 PolarHBondContact OE1-NH2 2.92Å; E172-R374 IonicContact OE2-CZ 2.96Å; E172-R374 IonicContact OE2-NH1 3.65Å; E172-R374 PolarHBondContact OE2-NH1 2.66Å; E172-R374 IonicContact OE2-NH2 3.55Å; E172-R374 PolarHBondContact OE2-NH2 3.39Å; V370-R374 PolarHBondContact O-N 3.12Å; L371-R374 WeakPolarHBondContact O-CB 3.34Å; L371-R374 PolarHBondContact O-N 2.91Å; L372-R374 VanDerWaalsContact C-N 3.3Å; L372-R374 PolarHBondContact O-N 2.85Å; R374-L377 PolarHBondContact O-N 3.34Å; R374-S378 VanDerWaalsContact O-CB 3.24Å; R374-S378 WeakPolarHBondContact O-CB 3.38Å; R374-S378 PolarHBondContact O-N 2.58Å; R374-S378 PolarHBondContact O-OG 2.8Å; R374-Y467 HydrophobicContact CB-CE1 3.83Å
375	V	90.7	Very high	92.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-45	177.4	174.3	0	0	0	0	111	L371 L372 L377 S378 Y379 L381 L463 Y467	L371-V375 HydrophobicContact CG-CG2 4.44Å; L371-V375 VanDerWaalsContact O-CG2 3.23Å; L371-V375 WeakPolarHBondContact O-CG2 3.23Å; L371-V375 PolarHBondContact O-N 3.47Å; L372-V375 PolarHBondContact O-N 3.48Å; V375-L377 PolarHBondContact O-N 3Å; V375-S378 PolarHBondContact O-N 2.81Å; V375-Y379 HydrophobicContact CG1-CD2 3.78Å; V375-Y379 HydrophobicContact CG1-CE2 4.14Å; V375-Y379 WeakPolarHBondContact O-CB 3.42Å; V375-Y379 PolarHBondContact O-N 2.8Å; V375-L381 HydrophobicContact CG1-CD1 3.75Å; V375-L463 HydrophobicContact CG1-CB 3.92Å; V375-Y467 HydrophobicContact CG2-CD1 4.18Å; V375-Y467 HydrophobicContact CG2-CG 3.91Å
376	I	90.3	Very high	92.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.6	-51.2	177.2	-72.4	161.1	0	0	0	110.6	L188 Q191 L192 L372 T373 K380 L381 F383	L188-I376 HydrophobicContact CD2-CB 4.49Å; L188-I376 HydrophobicContact CD2-CG2 4.23Å; Q191-I376 HydrophobicContact CB-CD1 4.11Å; Q191-I376 HydrophobicContact CB-CG2 3.89Å; Q191-I376 HydrophobicContact CG-CG2 3.86Å; L192-I376 HydrophobicContact CD2-CD1 3.86Å; L192-I376 HydrophobicContact CG-CD1 4.34Å; L372-I376 HydrophobicContact CG-CD1 4.11Å; L372-I376 HydrophobicContact CG-CG1 4.45Å; L372-I376 WeakPolarHBondContact O-CD1 3.44Å; L372-I376 WeakPolarHBondContact O-CG1 3.36Å; L372-I376 PolarHBondContact O-N 3.39Å; T373-I376 PolarHBondContact O-N 3.37Å; I376-K380 CarbonylContact O-C 3.58Å; I376-K380 VanDerWaalsContact O-CA 3.24Å; I376-K380 WeakPolarHBondContact O-CA 3.44Å; I376-K380 PolarHBondContact O-N 3.02Å; I376-L381 PolarHBondContact O-N 3.27Å; I376-F383 HydrophobicContact CD1-CD2 4.11Å; I376-F383 HydrophobicContact CD1-CE2 3.72Å; I376-F383 HydrophobicContact CG1-CD2 4.1Å; I376-F383 HydrophobicContact CG1-CE2 3.42Å; I376-F383 VanDerWaalsContact CG1-CE2 3.42Å; I376-F383 HydrophobicContact CG1-CZ 4.31Å
377	L	86.6	Confident	92.2	Very high	44 Å²	44	22.1 Å²	22.1	23%	0.23	11%	0.106	C	C	.	.	H	α-helix	trans	-68.7	-45.7	-176.7	-66.2	172.8	0	0	0	111.8	E172 E184 L188 T373 R374 V375 Y379 K380	E172-L377 HydrophobicContact CG-CD1 4.15Å; E184-L377 HydrophobicContact CG-CD1 4.39Å; E184-L377 HydrophobicContact CG-CD2 3.78Å; E184-L377 VanDerWaalsContact OE1-CD1 3.29Å; E184-L377 WeakPolarHBondContact OE1-CD1 3.49Å; L188-L377 HydrophobicContact CD1-CD1 4.15Å; L188-L377 HydrophobicContact CD2-CD1 4.33Å; L188-L377 HydrophobicContact CD2-CD2 4.14Å; L188-L377 HydrophobicContact CD2-CG 4.02Å; L188-L377 HydrophobicContact CG-CD1 4.47Å; L188-L377 HydrophobicContact CG-CD2 4.18Å; L188-L377 HydrophobicContact CG-CG 4.43Å; T373-L377 WeakPolarHBondContact O-CG 3.13Å; T373-L377 PolarHBondContact O-N 3.37Å; T373-L377 VanDerWaalsContact O-N 3.14Å; R374-L377 PolarHBondContact O-N 3.34Å; V375-L377 PolarHBondContact O-N 3Å; L377-Y379 PolarHBondContact O-N 3.5Å; L377-K380 PolarHBondContact O-N 3.11Å
378	S	86.9	Confident	92.4	Very high	64 Å²	64	23.5 Å²	23.5	45%	0.448	12%	0.115	S	C	.	.	H	α-helix	trans	-67.2	-37.8	-174.7	-55.9	0	0	0	0	112.5	R374 V375 Y467	R374-S378 VanDerWaalsContact O-CB 3.24Å; R374-S378 WeakPolarHBondContact O-CB 3.38Å; R374-S378 PolarHBondContact O-N 2.58Å; R374-S378 PolarHBondContact O-OG 2.8Å; V375-S378 PolarHBondContact O-N 2.81Å; S378-Y467 WeakPolarHBondContact OG-CE2 3.31Å
379	Y	88.8	Confident	92.5	Very high	76 Å²	76	26 Å²	26	30%	0.298	13%	0.126	S	C	.	.	H	α-helix	trans	-99.4	2.1	-179.7	-59.9	-25.1	0	0	0	113.5	V375 L377 L381 S466 Y467	V375-Y379 HydrophobicContact CG1-CD2 3.78Å; V375-Y379 HydrophobicContact CG1-CE2 4.14Å; V375-Y379 WeakPolarHBondContact O-CB 3.42Å; V375-Y379 PolarHBondContact O-N 2.8Å; L377-Y379 PolarHBondContact O-N 3.5Å; Y379-L381 PolarHBondContact O-N 3.05Å; Y379-S466 PolarHBondContact OH-O 3.29Å; Y379-Y467 WeakPolarHBondContact OH-CA 3.36Å; Y379-Y467 PolarHBondContact OH-N 2.81Å
380	K	86.9	Confident	92.6	Very high	166 Å²	166	25.9 Å²	25.9	72%	0.722	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	46.3	-176.8	-56.8	-175.2	178	-173.2	0	111.8	I376 L377	I376-K380 CarbonylContact O-C 3.58Å; I376-K380 VanDerWaalsContact O-CA 3.24Å; I376-K380 WeakPolarHBondContact O-CA 3.44Å; I376-K380 PolarHBondContact O-N 3.02Å; L377-K380 PolarHBondContact O-N 3.11Å
381	L	89.5	Confident	92.9	Very high	3 Å²	3	25 Å²	25	2%	0.016	12%	0.12	C	C	.	.			trans	-72.8	147.9	-177.5	-55.7	-176.5	0	0	0	111.2	V375 I376 Y379 F383 L414 T415 L463	V375-L381 HydrophobicContact CG1-CD1 3.75Å; I376-L381 PolarHBondContact O-N 3.27Å; Y379-L381 PolarHBondContact O-N 3.05Å; L381-F383 HydrophobicContact CB-CZ 4.22Å; L381-F383 HydrophobicContact CD1-CE1 4.36Å; L381-F383 HydrophobicContact CD1-CZ 3.75Å; L381-L414 WeakPolarHBondContact CA-O 3.46Å; L381-L414 HydrophobicContact CD2-CB 4.06Å; L381-T415 HydrophobicContact CD2-CG2 3.56Å; L381-L463 HydrophobicContact CD1-CD1 3.95Å
382	S	91.8	Very high	93.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.			trans	-120	125.6	167.8	-173.8	0	0	0	0	111.9	Q191 L384 R411 L414	Q191-S382 VanDerWaalsContact OE1-CA 3.24Å; S382-L384 WeakPolarHBondContact OG-CG 3.46Å; S382-R411 WeakPolarHBondContact O-CD 3.5Å; S382-R411 PolarHBondContact OG-NH1 2.69Å; S382-R411 VanDerWaalsContact OG-NH1 3.16Å; S382-L414 PolarHBondContact N-O 3.42Å; S382-L414 WeakPolarHBondContact O-CD2 3.41Å
383	F	94	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.			trans	-107.1	3.1	175	-60.9	-52.2	0	0	0	113.2	Q191 P194 I195 L372 I376 L381 I385 F410 L414 L460	Q191-F383 HydrophobicContact CB-CD2 4.43Å; Q191-F383 WeakPolarHBondContact O-CD2 3.22Å; P194-F383 HydrophobicContact CB-CB 4.25Å; P194-F383 WeakPolarHBondContact CB-O 3.3Å; P194-F383 HydrophobicContact CG-CB 4.34Å; P194-F383 VanDerWaalsContact CG-O 3.22Å; P194-F383 WeakPolarHBondContact CG-O 3.34Å; I195-F383 HydrophobicContact CD1-CD2 3.88Å; I195-F383 HydrophobicContact CD1-CE2 4.15Å; I195-F383 HydrophobicContact CD1-CG 4.08Å; I195-F383 HydrophobicContact CG1-CD2 4.07Å; I195-F383 HydrophobicContact CG1-CE2 4.48Å; L372-F383 HydrophobicContact CD1-CE2 4.28Å; L372-F383 HydrophobicContact CD1-CZ 4.3Å; I376-F383 HydrophobicContact CD1-CD2 4.11Å; I376-F383 HydrophobicContact CD1-CE2 3.72Å; I376-F383 HydrophobicContact CG1-CD2 4.1Å; I376-F383 HydrophobicContact CG1-CE2 3.42Å; I376-F383 VanDerWaalsContact CG1-CE2 3.42Å; I376-F383 HydrophobicContact CG1-CZ 4.31Å; L381-F383 HydrophobicContact CB-CZ 4.22Å; L381-F383 HydrophobicContact CD1-CE1 4.36Å; L381-F383 HydrophobicContact CD1-CZ 3.75Å; F383-I385 PolarHBondContact O-N 3.3Å; F383-F410 HydrophobicContact CD1-CE1 4.05Å; F383-F410 AromaticContact CD1-CZ 3.89Å; F383-F410 HydrophobicContact CD1-CZ 3.89Å; F383-F410 HydrophobicContact CE1-CE1 4.48Å; F383-F410 HydrophobicContact CE1-CZ 4.43Å; F383-F410 HydrophobicContact CG-CZ 4.4Å; F383-L414 HydrophobicContact CD1-CD2 3.46Å; F383-L414 VanDerWaalsContact CD1-CD2 3.46Å; F383-L414 HydrophobicContact CE1-CD1 3.78Å; F383-L414 HydrophobicContact CE1-CD2 3.53Å; F383-L414 HydrophobicContact CE1-CG 4.22Å; F383-L460 HydrophobicContact CE1-CD2 3.82Å; F383-L460 HydrophobicContact CZ-CD2 3.74Å
384	L	95.2	Very high	93.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.132	C	C	.	.			trans	-54.7	133.6	-170.7	-60.8	170	0	0	0	112.4	D190 Y258 N263 F266 S382	D190-L384 HydrophobicContact CB-CD2 4.02Å; Y258-L384 HydrophobicContact CD1-CD2 4.08Å; Y258-L384 HydrophobicContact CE1-CD2 3.77Å; Y258-L384 HydrophobicContact CE2-CD2 4.47Å; N263-L384 HydrophobicContact CB-CD1 3.97Å; N263-L384 HydrophobicContact CB-CD2 4.37Å; N263-L384 WeakPolarHBondContact OD1-CD1 3.1Å; F266-L384 HydrophobicContact CD1-CB 4.07Å; F266-L384 HydrophobicContact CD2-CB 4.04Å; F266-L384 HydrophobicContact CD2-CD1 3.88Å; F266-L384 HydrophobicContact CD2-CG 4.48Å; F266-L384 HydrophobicContact CE1-CB 3.92Å; F266-L384 HydrophobicContact CE2-CB 3.89Å; F266-L384 HydrophobicContact CE2-CD1 3.63Å; F266-L384 HydrophobicContact CE2-CG 4.4Å; F266-L384 HydrophobicContact CG-CB 4.13Å; F266-L384 HydrophobicContact CZ-CB 3.84Å; F266-L384 HydrophobicContact CZ-CD1 4.29Å; S382-L384 WeakPolarHBondContact OG-CG 3.46Å
385	I	96.1	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.			trans	-137.1	156.7	168.3	64.9	178.9	0	0	0	107.3	P194 Y258 F383 K389 V390 Y409 M441	P194-I385 HydrophobicContact CB-CD1 4.34Å; P194-I385 HydrophobicContact CB-CG1 4.21Å; P194-I385 HydrophobicContact CG-CG1 4.19Å; Y258-I385 VanDerWaalsContact CE2-O 3.23Å; Y258-I385 WeakPolarHBondContact CE2-O 3.28Å; Y258-I385 PolarHBondContact OH-O 3.43Å; F383-I385 PolarHBondContact O-N 3.3Å; I385-K389 HydrophobicContact CB-CB 4.49Å; I385-K389 HydrophobicContact CD1-CB 4.04Å; I385-K389 HydrophobicContact CG1-CB 4.32Å; I385-V390 HydrophobicContact CD1-CG2 3.98Å; I385-V390 HydrophobicContact CG1-CG2 3.65Å; I385-Y409 WeakPolarHBondContact CD1-O 3.25Å; I385-M441 HydrophobicContact CB-SD 3.61Å; I385-M441 HydrophobicContact CG2-CG 4.01Å; I385-M441 HydrophobicContact CG2-SD 3.56Å; I385-M441 VanDerWaalsContact CG2-SD 3.56Å
386	P	97.1	Very high	94.5	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.019	15%	0.15	C	C	.	.			trans	-55.3	144.4	177.8	-24.5	33.5	0	0	0	112.4	F266 D268 S388 K389 V390 Y436 M441	F266-P386 WeakPolarHBondContact O-CA 3.1Å; D268-P386 HydrophobicContact CB-CB 4.17Å; D268-P386 VanDerWaalsContact CG-CB 3.4Å; D268-P386 VanDerWaalsContact OD2-CB 3.25Å; D268-P386 WeakPolarHBondContact OD2-CB 3.47Å; P386-S388 PolarHBondContact O-N 2.88Å; P386-K389 HydrophobicContact CB-CG 4.31Å; P386-K389 HydrophobicContact CG-CG 4.4Å; P386-K389 WeakPolarHBondContact O-CA 3.46Å; P386-K389 WeakPolarHBondContact O-CB 3.33Å; P386-K389 PolarHBondContact O-N 3.17Å; P386-V390 PolarHBondContact O-N 3.44Å; P386-V390 VanDerWaalsContact O-N 3.1Å; P386-Y436 HydrophobicContact CG-CD2 3.99Å; P386-Y436 HydrophobicContact CG-CE2 3.4Å; P386-M441 WeakPolarHBondContact CD-SD 3.46Å; P386-M441 HydrophobicContact CG-CE 3.96Å; P386-M441 HydrophobicContact CG-SD 4.36Å
387	I	97.9	Very high	94.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-56.2	-35.7	-179.8	-67.3	-65.6	0	0	0	111.3	T255 Y258 F266 D268 L269 K389 V390 N391	T255-I387 HydrophobicContact CG2-CD1 4.4Å; Y258-I387 HydrophobicContact CD1-CD1 4.33Å; Y258-I387 HydrophobicContact CD2-CD1 3.61Å; Y258-I387 HydrophobicContact CD2-CG1 3.82Å; Y258-I387 HydrophobicContact CE1-CD1 4.19Å; Y258-I387 HydrophobicContact CE2-CD1 3.39Å; Y258-I387 HydrophobicContact CE2-CG1 3.74Å; Y258-I387 HydrophobicContact CG-CD1 4.08Å; F266-I387 PolarHBondContact O-N 3.16Å; D268-I387 PolarHBondContact OD1-N 3.39Å; L269-I387 HydrophobicContact CD1-CG2 4.05Å; I387-K389 PolarHBondContact O-N 2.84Å; I387-V390 WeakPolarHBondContact O-CB 3.5Å; I387-V390 PolarHBondContact O-N 2.85Å; I387-V390 VanDerWaalsContact O-N 3.15Å; I387-N391 VanDerWaalsContact O-CG 3.29Å; I387-N391 PolarHBondContact O-N 2.87Å
388	S	97.7	Very high	95.5	Very high	29 Å²	29	30.5 Å²	30.5	20%	0.203	14%	0.14	C	C	.	.	H	α-helix	trans	-56.2	-36	173.6	71.3	0	0	0	0	113.1	D268 P386 E392	D268-S388 PolarHBondContact OD1-N 3.3Å; D268-S388 WeakPolarHBondContact OD2-CB 3.23Å; D268-S388 PolarHBondContact OD2-OG 3.39Å; P386-S388 PolarHBondContact O-N 2.88Å; S388-E392 PolarHBondContact O-N 3.41Å
389	K	98.1	Very high	96	Very high	54 Å²	54	33.8 Å²	33.8	24%	0.235	14%	0.143	C	C	.	.	H	α-helix	trans	-79.1	-33.4	177.9	-58.3	-50.6	-173.1	177.6	0	112.5	I385 P386 I387 N391 E392 N393 Y409	I385-K389 HydrophobicContact CB-CB 4.49Å; I385-K389 HydrophobicContact CD1-CB 4.04Å; I385-K389 HydrophobicContact CG1-CB 4.32Å; P386-K389 HydrophobicContact CB-CG 4.31Å; P386-K389 HydrophobicContact CG-CG 4.4Å; P386-K389 WeakPolarHBondContact O-CA 3.46Å; P386-K389 WeakPolarHBondContact O-CB 3.33Å; P386-K389 PolarHBondContact O-N 3.17Å; I387-K389 PolarHBondContact O-N 2.84Å; K389-N391 VanDerWaalsContact C-N 3.35Å; K389-E392 IonicContact NZ-OE2 3.2Å; K389-E392 PolarHBondContact NZ-OE2 2.97Å; K389-E392 PolarHBondContact O-N 3.43Å; K389-N393 WeakPolarHBondContact O-CB 3.34Å; K389-N393 VanDerWaalsContact O-CG 3.25Å; K389-N393 PolarHBondContact O-N 2.86Å; K389-Y409 HydrophobicContact CB-CD2 4.17Å; K389-Y409 HydrophobicContact CB-CG 4.15Å; K389-Y409 HydrophobicContact CD-CD1 4.37Å; K389-Y409 HydrophobicContact CD-CD2 3.78Å; K389-Y409 HydrophobicContact CD-CE1 4.42Å; K389-Y409 HydrophobicContact CD-CE2 3.81Å; K389-Y409 HydrophobicContact CD-CG 4.06Å; K389-Y409 HydrophobicContact CG-CD2 4.38Å; K389-Y409 HydrophobicContact CG-CG 4.28Å; K389-Y409 PolarHBondContact NZ-OH 2.81Å
390	V	98.4	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-48.1	167.8	-178.9	0	0	0	0	110.2	T193 Y258 I385 P386 I387 E392 N393 M394	T193-V390 HydrophobicContact CG2-CG1 3.84Å; T193-V390 HydrophobicContact CG2-CG2 4.2Å; Y258-V390 WeakPolarHBondContact OH-CG2 3.43Å; I385-V390 HydrophobicContact CD1-CG2 3.98Å; I385-V390 HydrophobicContact CG1-CG2 3.65Å; P386-V390 PolarHBondContact O-N 3.44Å; P386-V390 VanDerWaalsContact O-N 3.1Å; I387-V390 WeakPolarHBondContact O-CB 3.5Å; I387-V390 PolarHBondContact O-N 2.85Å; I387-V390 VanDerWaalsContact O-N 3.15Å; V390-E392 VanDerWaalsContact C-N 3.31Å; V390-E392 PolarHBondContact O-N 3.48Å; V390-N393 WeakPolarHBondContact O-CB 3.35Å; V390-N393 PolarHBondContact O-N 3.22Å; V390-M394 WeakPolarHBondContact O-CG 3.38Å; V390-M394 PolarHBondContact O-N 3.15Å
391	N	98.1	Very high	97	Very high	14 Å²	14	27.2 Å²	27.2	8%	0.075	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-40.5	179	-67.6	-10.9	0	0	0	111.7	S254 L269 I387 K389 M394 R395	S254-N391 PolarHBondContact OG-OD1 2.81Å; L269-N391 WeakPolarHBondContact CD1-ND2 3.33Å; I387-N391 VanDerWaalsContact O-CG 3.29Å; I387-N391 PolarHBondContact O-N 2.87Å; K389-N391 VanDerWaalsContact C-N 3.35Å; N391-M394 PolarHBondContact O-N 3.21Å; N391-R395 PolarHBondContact O-N 3.39Å
392	E	98.3	Very high	97.4	Very high	48 Å²	48	27.3 Å²	27.3	22%	0.224	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-44.9	175	-167.3	175.7	165.5	0	0	112.2	S388 K389 V390 M394 R395 R396 Y409	S388-E392 PolarHBondContact O-N 3.41Å; K389-E392 IonicContact NZ-OE2 3.2Å; K389-E392 PolarHBondContact NZ-OE2 2.97Å; K389-E392 PolarHBondContact O-N 3.43Å; V390-E392 VanDerWaalsContact C-N 3.31Å; V390-E392 PolarHBondContact O-N 3.48Å; E392-M394 VanDerWaalsContact C-N 3.32Å; E392-M394 PolarHBondContact O-N 3.47Å; E392-R395 WeakPolarHBondContact O-CB 3.47Å; E392-R395 PolarHBondContact O-N 3.15Å; E392-R395 VanDerWaalsContact O-N 3.15Å; E392-R396 WeakPolarHBondContact O-CG 3.41Å; E392-R396 PolarHBondContact O-N 3.36Å; E392-R396 IonicContact OE1-CZ 2.93Å; E392-R396 VanDerWaalsContact OE1-CZ 3.3Å; E392-R396 IonicContact OE1-NE 3.87Å; E392-R396 PolarHBondContact OE1-NE 3.12Å; E392-R396 IonicContact OE1-NH2 2.76Å; E392-R396 PolarHBondContact OE1-NH2 2.69Å; E392-Y409 HydrophobicContact CG-CE2 4.4Å; E392-Y409 WeakPolarHBondContact OE2-CE2 3.47Å
393	N	98.8	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.2	-40.2	175.4	-77.2	-9.7	0	0	0	111.9	P197 K389 V390 R395 R396 A397 F408 Y409	P197-N393 HydrophobicContact CB-CB 3.62Å; P197-N393 HydrophobicContact CG-CB 3.51Å; K389-N393 WeakPolarHBondContact O-CB 3.34Å; K389-N393 VanDerWaalsContact O-CG 3.25Å; K389-N393 PolarHBondContact O-N 2.86Å; V390-N393 WeakPolarHBondContact O-CB 3.35Å; V390-N393 PolarHBondContact O-N 3.22Å; N393-R395 VanDerWaalsContact C-N 3.28Å; N393-R395 PolarHBondContact O-N 3.05Å; N393-R396 PolarHBondContact O-N 2.69Å; N393-A397 VanDerWaalsContact O-CB 3.32Å; N393-A397 WeakPolarHBondContact O-CB 3.38Å; N393-A397 PolarHBondContact O-N 3.44Å; N393-F408 HydrophobicContact CB-CD1 3.87Å; N393-F408 WeakPolarHBondContact O-CE1 3.36Å; N393-F408 WeakPolarHBondContact OD1-CA 3.32Å; N393-Y409 PolarHBondContact ND2-N 3.14Å; N393-Y409 PolarHBondContact ND2-O 3.24Å; N393-Y409 PolarHBondContact OD1-N 3.43Å
394	M	98.6	Very high	97.9	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.02	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-32.9	176.2	-74.3	-65.5	-66	0	0	112.8	P197 L200 W220 N331 V390 N391 E392 Q398	P197-M394 HydrophobicContact CB-CG 4.22Å; P197-M394 HydrophobicContact CB-SD 3.82Å; P197-M394 HydrophobicContact CG-SD 4.45Å; L200-M394 HydrophobicContact CD2-CE 3.86Å; L200-M394 HydrophobicContact CD2-SD 4.27Å; W220-M394 HydrophobicContact CD2-CE 3.46Å; W220-M394 VanDerWaalsContact CD2-CE 3.46Å; W220-M394 HydrophobicContact CE3-CE 4.04Å; W220-M394 HydrophobicContact CG-CE 3.81Å; W220-M394 HydrophobicContact CH2-CE 4.42Å; W220-M394 HydrophobicContact CZ2-CE 3.82Å; W220-M394 HydrophobicContact CZ3-CE 4.49Å; N331-M394 HydrophobicContact CB-CE 4.23Å; V390-M394 WeakPolarHBondContact O-CG 3.38Å; V390-M394 PolarHBondContact O-N 3.15Å; N391-M394 PolarHBondContact O-N 3.21Å; E392-M394 VanDerWaalsContact C-N 3.32Å; E392-M394 PolarHBondContact O-N 3.47Å; M394-Q398 PolarHBondContact O-NE2 3.03Å
395	R	97.9	Very high	98.1	Very high	145 Å²	145	36.3 Å²	36.3	55%	0.547	16%	0.159	S	C	.	.	H	α-helix	trans	-70.8	-44.6	171.4	-69.4	-175	-69.3	-97.5	2.7	111.8	N391 E392 N393 A397 Q398	N391-R395 PolarHBondContact O-N 3.39Å; E392-R395 WeakPolarHBondContact O-CB 3.47Å; E392-R395 PolarHBondContact O-N 3.15Å; E392-R395 VanDerWaalsContact O-N 3.15Å; N393-R395 VanDerWaalsContact C-N 3.28Å; N393-R395 PolarHBondContact O-N 3.05Å; R395-A397 VanDerWaalsContact C-N 3.33Å; R395-A397 PolarHBondContact O-N 2.53Å; R395-Q398 PolarHBondContact O-N 3.39Å
396	R	98.5	Very high	98.2	Very high	28 Å²	28	37.8 Å²	37.8	11%	0.106	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-39.4	179.4	-67.8	174	-178.3	-157.5	0.5	111.9	E392 N393 Q398 R399 A402 K407 F408 E443	E392-R396 WeakPolarHBondContact O-CG 3.41Å; E392-R396 PolarHBondContact O-N 3.36Å; E392-R396 IonicContact OE1-CZ 2.93Å; E392-R396 VanDerWaalsContact OE1-CZ 3.3Å; E392-R396 IonicContact OE1-NE 3.87Å; E392-R396 PolarHBondContact OE1-NE 3.12Å; E392-R396 IonicContact OE1-NH2 2.76Å; E392-R396 PolarHBondContact OE1-NH2 2.69Å; N393-R396 PolarHBondContact O-N 2.69Å; R396-Q398 PolarHBondContact O-N 2.85Å; R396-R399 WeakPolarHBondContact O-CB 3.24Å; R396-R399 PolarHBondContact O-N 3.1Å; R396-R399 VanDerWaalsContact O-N 3.13Å; R396-A402 WeakPolarHBondContact O-CB 3.44Å; R396-K407 VanDerWaalsContact CD-O 3.32Å; R396-K407 WeakPolarHBondContact CD-O 3.46Å; R396-K407 PolarHBondContact NH1-O 3.23Å; R396-F408 HydrophobicContact CB-CD1 4.42Å; R396-F408 HydrophobicContact CB-CE1 3.93Å; R396-F408 HydrophobicContact CB-CZ 4.42Å; R396-E443 IonicContact CZ-OE1 3.35Å; R396-E443 IonicContact NH1-OE1 3.72Å; R396-E443 PolarHBondContact NH1-OE1 2.79Å; R396-E443 IonicContact NH2-OE1 3.96Å; R396-E443 PolarHBondContact NH2-OE1 3.13Å; R396-E443 VanDerWaalsContact NH2-OE1 3.09Å
397	A	98.7	Very high	98.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.5	-177.7	0	0	0	0	0	114.8	P197 L200 A201 C218 N393 R395 F408	P197-A397 HydrophobicContact CB-CB 4.09Å; P197-A397 WeakPolarHBondContact O-CB 3.23Å; L200-A397 HydrophobicContact CB-CB 4.11Å; L200-A397 HydrophobicContact CD2-CB 3.93Å; L200-A397 HydrophobicContact CG-CB 4.11Å; A201-A397 HydrophobicContact CB-CB 4.19Å; C218-A397 PolarHBondContact SG-O 2.76Å; N393-A397 VanDerWaalsContact O-CB 3.32Å; N393-A397 WeakPolarHBondContact O-CB 3.38Å; N393-A397 PolarHBondContact O-N 3.44Å; R395-A397 VanDerWaalsContact C-N 3.33Å; R395-A397 PolarHBondContact O-N 2.53Å; A397-F408 HydrophobicContact CB-CE1 3.85Å; A397-F408 HydrophobicContact CB-CZ 4.29Å
398	Q	97.9	Very high	98.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.019	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-18.4	-177.8	-63	179.6	70.1	0	0	113.4	L200 V216 D217 C218 W220 N221 M394 R395 R396	L200-Q398 HydrophobicContact CD2-CG 4.06Å; V216-Q398 CarbonylContact C-O 3.51Å; V216-Q398 WeakPolarHBondContact CA-O 3.37Å; V216-Q398 WeakPolarHBondContact CB-O 3.45Å; D217-Q398 PolarHBondContact N-O 3.2Å; C218-Q398 HydrophobicContact CB-CB 4.23Å; C218-Q398 HydrophobicContact CB-CG 3.93Å; W220-Q398 HydrophobicContact CB-CG 4.22Å; N221-Q398 VanDerWaalsContact CG-CD 3.41Å; N221-Q398 PolarHBondContact ND2-NE2 3.35Å; N221-Q398 VanDerWaalsContact ND2-NE2 3.18Å; N221-Q398 PolarHBondContact ND2-OE1 3.09Å; N221-Q398 PolarHBondContact OD1-NE2 3Å; N221-Q398 PolarHBondContact OD1-OE1 3.15Å; M394-Q398 PolarHBondContact O-NE2 3.03Å; R395-Q398 PolarHBondContact O-N 3.39Å; R396-Q398 PolarHBondContact O-N 2.85Å
399	R	98.4	Very high	98.3	Very high	132 Å²	132	43.6 Å²	43.6	50%	0.498	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-57	146.8	-179.1	-69	177.2	172.5	178.6	-5.4	109.9	R396 N401 A402 Q406	R396-R399 WeakPolarHBondContact O-CB 3.24Å; R396-R399 PolarHBondContact O-N 3.1Å; R396-R399 VanDerWaalsContact O-N 3.13Å; R399-N401 PolarHBondContact O-N 2.87Å; R399-A402 HydrophobicContact CB-CB 4.38Å; R399-A402 WeakPolarHBondContact O-CB 3.49Å; R399-A402 PolarHBondContact O-N 2.65Å; R399-Q406 HydrophobicContact CB-CG 4.27Å; R399-Q406 VanDerWaalsContact CD-CD 3.48Å; R399-Q406 VanDerWaalsContact CD-OE1 3.31Å
400	R	98.2	Very high	98.3	Very high	77 Å²	77	41 Å²	41	29%	0.291	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	134.2	173.3	-177.6	175.6	57.8	71.7	8.1	110.1	D215 D217 A402 R504	D215-R400 PolarHBondContact O-N 2.89Å; D215-R400 WeakPolarHBondContact OD1-CD 3.37Å; D215-R400 IonicContact OD1-CZ 3.76Å; D215-R400 IonicContact OD1-NE 3.39Å; D215-R400 PolarHBondContact OD1-NE 2.83Å; D215-R400 IonicContact OD1-NH2 2.58Å; D217-R400 WeakPolarHBondContact OD2-CA 3.4Å; R400-A402 PolarHBondContact O-N 2.74Å; R400-R504 VanDerWaalsContact CD-CZ 3.42Å
401	N	98	Very high	98	Very high	28 Å²	28	41.2 Å²	41.2	15%	0.15	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	28.2	-179.8	-155.3	27	0	0	0	114.2	D217 R399 V403 M404 E405	D217-N401 PolarHBondContact OD2-N 3.22Å; R399-N401 PolarHBondContact O-N 2.87Å; N401-V403 PolarHBondContact O-N 3.2Å; N401-V403 VanDerWaalsContact O-N 3.12Å; N401-M404 PolarHBondContact O-N 3.09Å; N401-M404 WeakPolarHBondContact OD1-CG 3.21Å; N401-E405 HydrophobicContact CB-CG 4.28Å; N401-E405 PolarHBondContact ND2-OE1 3.03Å; N401-E405 PolarHBondContact O-N 3.45Å
402	A	98.7	Very high	97.4	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-32.3	-174.6	0	0	0	0	0	114.2	A201 R396 R399 R400 M404 Q406 F408	A201-A402 HydrophobicContact CB-CB 4.32Å; R396-A402 WeakPolarHBondContact O-CB 3.44Å; R399-A402 HydrophobicContact CB-CB 4.38Å; R399-A402 WeakPolarHBondContact O-CB 3.49Å; R399-A402 PolarHBondContact O-N 2.65Å; R400-A402 PolarHBondContact O-N 2.74Å; A402-M404 PolarHBondContact O-N 3.05Å; A402-Q406 HydrophobicContact CB-CB 4.16Å; A402-Q406 HydrophobicContact CB-CG 3.71Å; A402-Q406 WeakPolarHBondContact O-CB 3.12Å; A402-Q406 PolarHBondContact O-N 3.28Å; A402-Q406 VanDerWaalsContact O-N 3.08Å; A402-F408 HydrophobicContact CB-CZ 4.45Å
403	V	98.5	Very high	96.6	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-56.6	-34.8	175.8	69.4	0	0	0	0	112.7	L202 N401 V446 T498	L202-V403 HydrophobicContact CD2-CG2 4.05Å; N401-V403 PolarHBondContact O-N 3.2Å; N401-V403 VanDerWaalsContact O-N 3.12Å; V403-V446 HydrophobicContact CG2-CB 4.18Å; V403-V446 HydrophobicContact CG2-CG1 4Å; V403-V446 HydrophobicContact CG2-CG2 4.44Å; V403-T498 HydrophobicContact CB-CG2 4.44Å; V403-T498 HydrophobicContact CG1-CG2 3.86Å
404	M	97.9	Very high	96	Very high	73 Å²	73	44.4 Å²	44.4	36%	0.36	19%	0.191	S	C	.	.	H	α-helix	trans	-98.6	-36.4	-178.3	-60.8	-53	-64.2	0	0	113.1	N401 A402 G494	N401-M404 PolarHBondContact O-N 3.09Å; N401-M404 WeakPolarHBondContact OD1-CG 3.21Å; A402-M404 PolarHBondContact O-N 3.05Å; M404-G494 WeakPolarHBondContact SD-CA 3.33Å
405	E	98.1	Very high	95	Very high	110 Å²	110	45.4 Å²	45.4	51%	0.514	20%	0.197	S	C	.	.	H	α-helix	trans	-105.5	-22	-164.7	-67.8	178.1	-159.9	0	0	114.1	N401	N401-E405 HydrophobicContact CB-CG 4.28Å; N401-E405 PolarHBondContact ND2-OE1 3.03Å; N401-E405 PolarHBondContact O-N 3.45Å
406	Q	98.5	Very high	93.1	Very high	32 Å²	32	40.9 Å²	40.9	15%	0.15	19%	0.188	C	C	.	.			trans	-93.2	151.2	-178.2	-61.2	-61.5	-64.5	0	0	111.3	R399 A402 F408	R399-Q406 HydrophobicContact CB-CG 4.27Å; R399-Q406 VanDerWaalsContact CD-CD 3.48Å; R399-Q406 VanDerWaalsContact CD-OE1 3.31Å; A402-Q406 HydrophobicContact CB-CB 4.16Å; A402-Q406 HydrophobicContact CB-CG 3.71Å; A402-Q406 WeakPolarHBondContact O-CB 3.12Å; A402-Q406 PolarHBondContact O-N 3.28Å; A402-Q406 VanDerWaalsContact O-N 3.08Å; Q406-F408 HydrophobicContact CB-CE2 3.81Å; Q406-F408 HydrophobicContact CB-CZ 3.97Å
407	K	98.6	Very high	90.9	Very high	107 Å²	107	47.3 Å²	47.3	47%	0.465	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	151.4	164.2	-59.9	-176.1	177.8	-178.9	0	109.4	R396 E443 M444 T445	R396-K407 VanDerWaalsContact CD-O 3.32Å; R396-K407 WeakPolarHBondContact CD-O 3.46Å; R396-K407 PolarHBondContact NH1-O 3.23Å; K407-E443 HydrophobicContact CB-CB 3.92Å; K407-E443 HydrophobicContact CD-CB 4.33Å; K407-M444 CarbonylContact C-O 3.31Å; K407-M444 VanDerWaalsContact CA-O 3.29Å; K407-M444 WeakPolarHBondContact CA-O 3.31Å; K407-T445 HydrophobicContact CG-CG2 4.1Å
408	F	98.7	Very high	88.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.6	-176	-64.1	-92.8	0	0	0	109.1	P197 I198 A201 N393 R396 A397 A402 Q406 F410 E443 M444 V446 I449	P197-F408 HydrophobicContact CB-CD1 4.45Å; P197-F408 HydrophobicContact CB-CE1 4.48Å; I198-F408 HydrophobicContact CD1-CB 3.54Å; I198-F408 HydrophobicContact CD1-CD1 3.83Å; I198-F408 HydrophobicContact CD1-CD2 4.07Å; I198-F408 HydrophobicContact CD1-CG 3.53Å; A201-F408 HydrophobicContact CB-CE2 4.47Å; A201-F408 HydrophobicContact CB-CZ 3.89Å; N393-F408 HydrophobicContact CB-CD1 3.87Å; N393-F408 WeakPolarHBondContact O-CE1 3.36Å; N393-F408 WeakPolarHBondContact OD1-CA 3.32Å; R396-F408 HydrophobicContact CB-CD1 4.42Å; R396-F408 HydrophobicContact CB-CE1 3.93Å; R396-F408 HydrophobicContact CB-CZ 4.42Å; A397-F408 HydrophobicContact CB-CE1 3.85Å; A397-F408 HydrophobicContact CB-CZ 4.29Å; A402-F408 HydrophobicContact CB-CZ 4.45Å; Q406-F408 HydrophobicContact CB-CE2 3.81Å; Q406-F408 HydrophobicContact CB-CZ 3.97Å; F408-F410 PolarHBondContact O-N 2.66Å; F408-E443 CarbonylContact O-C 3.57Å; F408-E443 VanDerWaalsContact O-CA 3.31Å; F408-E443 WeakPolarHBondContact O-CA 3.47Å; F408-M444 PolarHBondContact N-O 3.2Å; F408-M444 PolarHBondContact O-N 2.82Å; F408-V446 HydrophobicContact CD2-CG2 3.91Å; F408-V446 HydrophobicContact CE2-CG2 3.52Å; F408-V446 HydrophobicContact CZ-CG2 4.36Å; F408-I449 HydrophobicContact CB-CD1 4.07Å
409	Y	98.1	Very high	86	Confident	47 Å²	47	55.6 Å²	55.6	18%	0.184	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	124.2	169.4	-69.4	-76	0	0	0	109	I385 K389 E392 N393 T442 E443	I385-Y409 WeakPolarHBondContact CD1-O 3.25Å; K389-Y409 HydrophobicContact CB-CD2 4.17Å; K389-Y409 HydrophobicContact CB-CG 4.15Å; K389-Y409 HydrophobicContact CD-CD1 4.37Å; K389-Y409 HydrophobicContact CD-CD2 3.78Å; K389-Y409 HydrophobicContact CD-CE1 4.42Å; K389-Y409 HydrophobicContact CD-CE2 3.81Å; K389-Y409 HydrophobicContact CD-CG 4.06Å; K389-Y409 HydrophobicContact CG-CD2 4.38Å; K389-Y409 HydrophobicContact CG-CG 4.28Å; K389-Y409 PolarHBondContact NZ-OH 2.81Å; E392-Y409 HydrophobicContact CG-CE2 4.4Å; E392-Y409 WeakPolarHBondContact OE2-CE2 3.47Å; N393-Y409 PolarHBondContact ND2-N 3.14Å; N393-Y409 PolarHBondContact ND2-O 3.24Å; N393-Y409 PolarHBondContact OD1-N 3.43Å; Y409-T442 WeakPolarHBondContact CA-O 3.46Å; Y409-E443 HydrophobicContact CD1-CG 3.85Å; Y409-E443 HydrophobicContact CE1-CG 3.69Å; Y409-E443 HydrophobicContact CG-CG 4.42Å
410	F	96.5	Very high	83.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.3	-179	-148.7	-99.4	0	0	0	110.8	I195 I198 F383 F408 M441 T442 M444 I449 F457	I195-F410 HydrophobicContact CD1-CE2 3.96Å; I195-F410 HydrophobicContact CD1-CZ 3.76Å; I198-F410 HydrophobicContact CG1-CD2 4.41Å; I198-F410 HydrophobicContact CG1-CE2 4.23Å; F383-F410 HydrophobicContact CD1-CE1 4.05Å; F383-F410 AromaticContact CD1-CZ 3.89Å; F383-F410 HydrophobicContact CD1-CZ 3.89Å; F383-F410 HydrophobicContact CE1-CE1 4.48Å; F383-F410 HydrophobicContact CE1-CZ 4.43Å; F383-F410 HydrophobicContact CG-CZ 4.4Å; F408-F410 PolarHBondContact O-N 2.66Å; F410-M441 WeakPolarHBondContact O-CA 3.43Å; F410-T442 PolarHBondContact N-O 3.31Å; F410-T442 PolarHBondContact O-N 2.98Å; F410-T442 VanDerWaalsContact O-O 3.11Å; F410-M444 HydrophobicContact CB-SD 4.48Å; F410-I449 HydrophobicContact CB-CD1 3.89Å; F410-I449 HydrophobicContact CB-CG1 4.1Å; F410-I449 HydrophobicContact CD1-CG1 4.18Å; F410-I449 HydrophobicContact CD1-CG2 4.21Å; F410-I449 HydrophobicContact CD2-CD1 3.82Å; F410-I449 HydrophobicContact CD2-CG1 4.26Å; F410-I449 HydrophobicContact CD2-CG2 4.2Å; F410-I449 HydrophobicContact CE1-CG2 3.98Å; F410-I449 HydrophobicContact CE2-CG2 3.96Å; F410-I449 HydrophobicContact CG-CD1 3.84Å; F410-I449 HydrophobicContact CG-CG1 3.9Å; F410-I449 HydrophobicContact CG-CG2 4.32Å; F410-I449 HydrophobicContact CZ-CG2 3.85Å; F410-F457 HydrophobicContact CD1-CE2 4.34Å; F410-F457 HydrophobicContact CD1-CZ 4.05Å; F410-F457 HydrophobicContact CE1-CE2 4.27Å; F410-F457 AromaticContact CE1-CZ 3.77Å; F410-F457 HydrophobicContact CE1-CZ 3.77Å
411	R	92.1	Very high	80.4	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136	179.4	-162.8	177.5	-166.6	139.9	9.5	111.1	S382 L413 L414 P433 D440	S382-R411 WeakPolarHBondContact O-CD 3.5Å; S382-R411 PolarHBondContact OG-NH1 2.69Å; S382-R411 VanDerWaalsContact OG-NH1 3.16Å; R411-L413 WeakPolarHBondContact CD-O 3.32Å; R411-L413 VanDerWaalsContact CG-O 3.32Å; R411-L413 WeakPolarHBondContact CG-O 3.39Å; R411-L413 PolarHBondContact NE-O 2.75Å; R411-L413 VanDerWaalsContact NE-O 3.1Å; R411-L414 HydrophobicContact CB-CD2 4.45Å; R411-P433 PolarHBondContact NH1-O 3.27Å; R411-P433 PolarHBondContact NH2-O 3.22Å; R411-D440 HydrophobicContact CG-CB 4.48Å; R411-D440 IonicContact CZ-OD2 3.53Å; R411-D440 IonicContact NH2-OD2 3.04Å; R411-D440 PolarHBondContact NH2-OD2 3.29Å
412	K	87.1	Confident	77.8	Confident	80 Å²	80	60.4 Å²	60.4	35%	0.348	32%	0.318	S	S	.	.	S	Bend	trans	-82.3	-43.3	178.3	-66.9	178.5	-71.6	-168.5	0	112.8	N439 D440 M441 T442 M444	K412-N439 WeakPolarHBondContact CE-O 3.36Å; K412-N439 PolarHBondContact NZ-O 3.38Å; K412-D440 WeakPolarHBondContact CB-O 3.24Å; K412-D440 PolarHBondContact N-O 2.89Å; K412-M441 WeakPolarHBondContact CE-O 3.49Å; K412-M441 PolarHBondContact NZ-O 3.49Å; K412-T442 HydrophobicContact CD-CG2 3.75Å; K412-T442 HydrophobicContact CG-CG2 3.44Å; K412-T442 VanDerWaalsContact CG-CG2 3.44Å; K412-M444 HydrophobicContact CG-CE 3.86Å
413	L	81.7	Confident	74.8	Confident	47 Å²	47	68.2 Å²	68.2	25%	0.246	36%	0.359	C	S	.	.			trans	-104.8	118	-177.3	-62.9	172.5	0	0	0	108.9	R411 D418 K419	R411-L413 WeakPolarHBondContact CD-O 3.32Å; R411-L413 VanDerWaalsContact CG-O 3.32Å; R411-L413 WeakPolarHBondContact CG-O 3.39Å; R411-L413 PolarHBondContact NE-O 2.75Å; R411-L413 VanDerWaalsContact NE-O 3.1Å; L413-D418 HydrophobicContact CD2-CB 3.72Å; L413-K419 HydrophobicContact CD1-CG 4.47Å
414	L	85.2	Confident	71.9	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.016	39%	0.394	C	S	.	.			trans	-96.9	-21	-173.1	-59	-179.4	0	0	0	112.4	L381 S382 F383 R411 D418 F457 P458 L463	L381-L414 WeakPolarHBondContact CA-O 3.46Å; L381-L414 HydrophobicContact CD2-CB 4.06Å; S382-L414 PolarHBondContact N-O 3.42Å; S382-L414 WeakPolarHBondContact O-CD2 3.41Å; F383-L414 HydrophobicContact CD1-CD2 3.46Å; F383-L414 VanDerWaalsContact CD1-CD2 3.46Å; F383-L414 HydrophobicContact CE1-CD1 3.78Å; F383-L414 HydrophobicContact CE1-CD2 3.53Å; F383-L414 HydrophobicContact CE1-CG 4.22Å; R411-L414 HydrophobicContact CB-CD2 4.45Å; L414-D418 PolarHBondContact N-OD2 2.76Å; L414-F457 HydrophobicContact CD1-CE2 3.71Å; L414-F457 HydrophobicContact CD1-CZ 4.06Å; L414-F457 HydrophobicContact CD2-CE2 3.99Å; L414-F457 HydrophobicContact CG-CE2 3.89Å; L414-P458 HydrophobicContact CD1-CG 4.35Å; L414-L463 HydrophobicContact CD1-CD1 3.57Å
415	T	77.6	Confident	68.8	Low	25 Å²	25	73.9 Å²	73.9	15%	0.153	41%	0.413	C	S	.	.	S	Bend	trans	-130.9	159.7	176.3	73.2	0	0	0	0	111.7	L381 F417 D418	L381-T415 HydrophobicContact CD2-CG2 3.56Å; T415-F417 PolarHBondContact O-N 2.98Å; T415-F417 PolarHBondContact OG1-N 3.27Å; T415-D418 PolarHBondContact N-OD2 2.81Å; T415-D418 PolarHBondContact O-N 3.46Å; T415-D418 PolarHBondContact OG1-N 2.93Å; T415-D418 PolarHBondContact OG1-OD1 3.08Å; T415-D418 PolarHBondContact OG1-OD2 2.98Å
416	S	58.7	Low	65.7	Low	49 Å²	49	81.3 Å²	81.3	34%	0.343	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.5	171.6	50	0	0	0	0	113.6
417	F	50.8	Low	62.6	Low	163 Å²	163	83.1 Å²	83.1	72%	0.715	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.3	-179.2	-60.5	-75.6	0	0	0	113.6	T415 K419	T415-F417 PolarHBondContact O-N 2.98Å; T415-F417 PolarHBondContact OG1-N 3.27Å; F417-K419 VanDerWaalsContact C-N 3.25Å; F417-K419 PolarHBondContact O-N 2.83Å
418	D	51.5	Low	59.5	Low	75 Å²	75	82.5 Å²	82.5	40%	0.401	47%	0.467	S	S	.	.			trans	-77.7	4.1	-171.6	-68.1	-35.7	0	0	0	114.9	L413 L414 T415 P420	L413-D418 HydrophobicContact CD2-CB 3.72Å; L414-D418 PolarHBondContact N-OD2 2.76Å; T415-D418 PolarHBondContact N-OD2 2.81Å; T415-D418 PolarHBondContact O-N 3.46Å; T415-D418 PolarHBondContact OG1-N 2.93Å; T415-D418 PolarHBondContact OG1-OD1 3.08Å; T415-D418 PolarHBondContact OG1-OD2 2.98Å; D418-P420 WeakPolarHBondContact O-CD 3.34Å
419	K	43.9	Very low	56.5	Low	105 Å²	105	90.5 Å²	90.5	46%	0.457	50%	0.498	S	S	.	.			trans	-77.1	119.4	171.1	-81.4	-171.8	-178.2	175.3	0	109.7	L413 F417 Y429	L413-K419 HydrophobicContact CD1-CG 4.47Å; F417-K419 VanDerWaalsContact C-N 3.25Å; F417-K419 PolarHBondContact O-N 2.83Å; K419-Y429 PolarHBondContact NZ-O 3.02Å
420	P	40	Very low	54.2	Low	106 Å²	106	97.6 Å²	97.6	69%	0.688	52%	0.524	S	S	*	.			trans	-60.8	139.2	166.2	-2.5	15	0	0	0	107.9	D418 S422	D418-P420 WeakPolarHBondContact O-CD 3.34Å; P420-S422 VanDerWaalsContact C-N 3.28Å; P420-S422 PolarHBondContact O-N 3.25Å
421	P	37.7	Very low	52.1	Low	125 Å²	125	98.4 Å²	98.4	81%	0.812	53%	0.531	S	S	*	.			trans	-68	91.4	172.3	28.2	-31.8	0	0	0	108.1	N423	P421-N423 PolarHBondContact O-N 3.37Å
422	S	44.7	Very low	50.9	Low	106 Å²	106	101.9 Å²	101.9	74%	0.741	55%	0.55	S	S	*	*			trans	-71.1	116.9	168.7	58.1	0	0	0	0	108.3	P420 A424	P420-S422 VanDerWaalsContact C-N 3.28Å; P420-S422 PolarHBondContact O-N 3.25Å; S422-A424 PolarHBondContact O-N 3.49Å
423	N	35.3	Very low	50.1	Low	168 Å²	168	98.7 Å²	98.7	90%	0.898	54%	0.537	S	S	*	.	S	Bend	trans	-57.8	93.9	171.2	-78	-25	0	0	0	110.7	P421	P421-N423 PolarHBondContact O-N 3.37Å
424	A	36.3	Very low	49.8	Very low	93 Å²	93	98.3 Å²	98.3	77%	0.769	53%	0.534	S	S	*	.	S	Bend	trans	158.5	88.3	148.6	0	0	0	0	0	110	S422	S422-A424 PolarHBondContact O-N 3.49Å
425	S	34.5	Very low	49.5	Very low	107 Å²	107	103.7 Å²	103.7	75%	0.748	56%	0.559	S	S	*	*			trans	139.4	118.3	154.7	-171.3	0	0	0	0	109.8	S427	S425-S427 PolarHBondContact O-N 3.35Å
426	R	32	Very low	49.8	Very low	265 Å²	265	107.5 Å²	107.5	100%	1	57%	0.572	S	S	*	*	S	Bend	trans	-72.1	41.2	-179.4	-85.9	175	132.5	164.1	-4.1	113.4
427	S	32.8	Very low	51.1	Low	71 Å²	71	108 Å²	108	50%	0.497	57%	0.571	S	S	.	*			trans	-124.9	76.3	163.3	178.6	0	0	0	0	108	S425 Y429	S425-S427 PolarHBondContact O-N 3.35Å; S427-Y429 PolarHBondContact O-N 2.79Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.46Å
428	A	35	Very low	52.7	Low	93 Å²	93	103.7 Å²	103.7	77%	0.769	56%	0.559	S	S	*	*			trans	-67.3	82.1	164.9	0	0	0	0	0	107.7	R430	A428-R430 PolarHBondContact O-N 3.2Å
429	Y	35.7	Very low	54.3	Low	169 Å²	169	105.9 Å²	105.9	66%	0.663	57%	0.571	S	S	*	*			trans	-58.1	94.1	158.3	-99.7	-89.7	0	0	0	105.6	K419 S427 A431	K419-Y429 PolarHBondContact NZ-O 3.02Å; S427-Y429 PolarHBondContact O-N 2.79Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.46Å; Y429-A431 PolarHBondContact O-N 3.25Å
430	R	48.4	Very low	56.4	Low	195 Å²	195	101.5 Å²	101.5	74%	0.736	55%	0.553	S	S	*	*			trans	-59.5	95.8	157.4	-70.3	-177	179.2	-179.9	-0.4	103.6	A428 D432	A428-R430 PolarHBondContact O-N 3.2Å; R430-D432 PolarHBondContact O-N 3.33Å; R430-D432 VanDerWaalsContact O-N 3.07Å
431	A	52.7	Low	58.8	Low	17 Å²	17	97.7 Å²	97.7	14%	0.14	53%	0.526	C	S	.	.			trans	-61.8	116.8	174.8	0	0	0	0	0	104.9	Y429 P433	Y429-A431 PolarHBondContact O-N 3.25Å; A431-P433 VanDerWaalsContact O-CD 3.29Å; A431-P433 WeakPolarHBondContact O-CD 3.39Å
432	D	66.9	Low	61.5	Low	78 Å²	78	94.4 Å²	94.4	42%	0.417	50%	0.503	S	S	.	.			trans	-63.2	120.9	171.7	-174.9	-13.6	0	0	0	106.1	R430 Q434 E435	R430-D432 PolarHBondContact O-N 3.33Å; R430-D432 VanDerWaalsContact O-N 3.07Å; D432-Q434 PolarHBondContact O-N 2.99Å; D432-Q434 WeakPolarHBondContact OD1-CB 3.29Å; D432-Q434 PolarHBondContact OD1-N 3.06Å; D432-Q434 PolarHBondContact OD1-OE1 3.19Å; D432-E435 HydrophobicContact CB-CB 4.25Å; D432-E435 WeakPolarHBondContact O-CB 3.44Å; D432-E435 PolarHBondContact O-N 3.03Å
433	P	70.3	Confident	64	Low	12 Å²	12	93.1 Å²	93.1	8%	0.078	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.9	174.4	18.9	-28	0	0	0	112.1	R411 A431	R411-P433 PolarHBondContact NH1-O 3.27Å; R411-P433 PolarHBondContact NH2-O 3.22Å; A431-P433 VanDerWaalsContact O-CD 3.29Å; A431-P433 WeakPolarHBondContact O-CD 3.39Å
434	Q	75.7	Confident	67	Low	39 Å²	39	85.4 Å²	85.4	18%	0.182	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.3	174.2	-71.1	62.6	80.5	0	0	113.1	W187 F266 D432	W187-Q434 HydrophobicContact CH2-CG 4.15Å; W187-Q434 HydrophobicContact CZ3-CG 4.3Å; F266-Q434 VanDerWaalsContact CE2-O 3.3Å; F266-Q434 WeakPolarHBondContact CE2-O 3.28Å; D432-Q434 PolarHBondContact O-N 2.99Å; D432-Q434 WeakPolarHBondContact OD1-CB 3.29Å; D432-Q434 PolarHBondContact OD1-N 3.06Å; D432-Q434 PolarHBondContact OD1-OE1 3.19Å
435	E	79.4	Confident	69.9	Low	116 Å²	116	82.4 Å²	82.4	54%	0.542	42%	0.417	S	S	.	.	S	Bend	trans	-79.4	128.8	174.4	-166.1	178.6	-178	0	0	110.3	D432 N437	D432-E435 HydrophobicContact CB-CB 4.25Å; D432-E435 WeakPolarHBondContact O-CB 3.44Å; D432-E435 PolarHBondContact O-N 3.03Å; E435-N437 PolarHBondContact O-N 2.95Å
436	Y	83.4	Confident	73	Confident	105 Å²	105	77.3 Å²	77.3	41%	0.412	38%	0.381	S	S	.	.			trans	-68.7	116.4	174.4	170.2	-106.4	0	0	0	110.2	F266 P386 M441	F266-Y436 HydrophobicContact CD1-CD2 4.04Å; F266-Y436 AromaticContact CE1-CD2 3.94Å; F266-Y436 HydrophobicContact CE1-CD2 3.94Å; P386-Y436 HydrophobicContact CG-CD2 3.99Å; P386-Y436 HydrophobicContact CG-CE2 3.4Å; Y436-M441 HydrophobicContact CE2-CE 3.87Å
437	N	85.5	Confident	76.1	Confident	60 Å²	60	67.6 Å²	67.6	32%	0.321	35%	0.349	S	S	.	.			trans	-131.9	118	169.9	-170	-25.9	0	0	0	109.8	E435 N439 D440	E435-N437 PolarHBondContact O-N 2.95Å; N437-N439 PolarHBondContact O-N 2.92Å; N437-N439 VanDerWaalsContact O-N 3.12Å; N437-N439 VanDerWaalsContact OD1-CB 3.28Å; N437-N439 WeakPolarHBondContact OD1-CB 3.46Å; N437-N439 PolarHBondContact OD1-N 2.9Å; N437-N439 PolarHBondContact OD1-ND2 3.46Å; N437-D440 HydrophobicContact CB-CB 4.45Å; N437-D440 WeakPolarHBondContact O-CB 3.38Å; N437-D440 PolarHBondContact O-N 3.33Å
438	P	84	Confident	79.2	Confident	73 Å²	73	65.9 Å²	65.9	47%	0.474	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.8	179.1	23.8	-33	0	0	0	112.6	D440 M441	P438-D440 PolarHBondContact O-N 3.33Å; P438-M441 PolarHBondContact O-N 2.94Å
439	N	86.5	Confident	82.2	Confident	120 Å²	120	61.4 Å²	61.4	64%	0.642	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-73.5	-12	177.6	-62.6	-46.3	0	0	0	113.5	K412 N437 M441	K412-N439 WeakPolarHBondContact CE-O 3.36Å; K412-N439 PolarHBondContact NZ-O 3.38Å; N437-N439 PolarHBondContact O-N 2.92Å; N437-N439 VanDerWaalsContact O-N 3.12Å; N437-N439 VanDerWaalsContact OD1-CB 3.28Å; N437-N439 WeakPolarHBondContact OD1-CB 3.46Å; N437-N439 PolarHBondContact OD1-N 2.9Å; N437-N439 PolarHBondContact OD1-ND2 3.46Å; N439-M441 VanDerWaalsContact C-N 3.27Å
440	D	87.2	Confident	85.2	Confident	14 Å²	14	53.4 Å²	53.4	8%	0.075	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-81.1	-10.7	177.1	-73.7	-0.5	0	0	0	112.5	R411 K412 N437 P438	R411-D440 HydrophobicContact CG-CB 4.48Å; R411-D440 IonicContact CZ-OD2 3.53Å; R411-D440 IonicContact NH2-OD2 3.04Å; R411-D440 PolarHBondContact NH2-OD2 3.29Å; K412-D440 WeakPolarHBondContact CB-O 3.24Å; K412-D440 PolarHBondContact N-O 2.89Å; N437-D440 HydrophobicContact CB-CB 4.45Å; N437-D440 WeakPolarHBondContact O-CB 3.38Å; N437-D440 PolarHBondContact O-N 3.33Å; P438-D440 PolarHBondContact O-N 3.33Å
441	M	90.8	Very high	87.6	Confident	26 Å²	26	45.5 Å²	45.5	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	157.3	-178.9	-62.5	-177.3	-70.5	0	0	112.3	I385 P386 F410 K412 Y436 P438 N439	I385-M441 HydrophobicContact CB-SD 3.61Å; I385-M441 HydrophobicContact CG2-CG 4.01Å; I385-M441 HydrophobicContact CG2-SD 3.56Å; I385-M441 VanDerWaalsContact CG2-SD 3.56Å; P386-M441 WeakPolarHBondContact CD-SD 3.46Å; P386-M441 HydrophobicContact CG-CE 3.96Å; P386-M441 HydrophobicContact CG-SD 4.36Å; F410-M441 WeakPolarHBondContact O-CA 3.43Å; K412-M441 WeakPolarHBondContact CE-O 3.49Å; K412-M441 PolarHBondContact NZ-O 3.49Å; Y436-M441 HydrophobicContact CE2-CE 3.87Å; P438-M441 PolarHBondContact O-N 2.94Å; N439-M441 VanDerWaalsContact C-N 3.27Å
442	T	94.6	Very high	89.6	Confident	55 Å²	55	45.3 Å²	45.3	34%	0.337	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.4	168.9	-171.5	0	0	0	0	109.4	Y409 F410 K412 M444	Y409-T442 WeakPolarHBondContact CA-O 3.46Å; F410-T442 PolarHBondContact N-O 3.31Å; F410-T442 PolarHBondContact O-N 2.98Å; F410-T442 VanDerWaalsContact O-O 3.11Å; K412-T442 HydrophobicContact CD-CG2 3.75Å; K412-T442 HydrophobicContact CG-CG2 3.44Å; K412-T442 VanDerWaalsContact CG-CG2 3.44Å; T442-M444 HydrophobicContact CG2-CE 3.37Å; T442-M444 HydrophobicContact CG2-CG 3.65Å; T442-M444 HydrophobicContact CG2-SD 4.36Å
443	E	97.1	Very high	90.8	Very high	79 Å²	79	45.7 Å²	45.7	37%	0.369	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.2	165.9	-66.9	-178	97.9	0	0	110.1	R396 K407 F408 Y409	R396-E443 IonicContact CZ-OE1 3.35Å; R396-E443 IonicContact NH1-OE1 3.72Å; R396-E443 PolarHBondContact NH1-OE1 2.79Å; R396-E443 IonicContact NH2-OE1 3.96Å; R396-E443 PolarHBondContact NH2-OE1 3.13Å; R396-E443 VanDerWaalsContact NH2-OE1 3.09Å; K407-E443 HydrophobicContact CB-CB 3.92Å; K407-E443 HydrophobicContact CD-CB 4.33Å; F408-E443 CarbonylContact O-C 3.57Å; F408-E443 VanDerWaalsContact O-CA 3.31Å; F408-E443 WeakPolarHBondContact O-CA 3.47Å; Y409-E443 HydrophobicContact CD1-CG 3.85Å; Y409-E443 HydrophobicContact CE1-CG 3.69Å; Y409-E443 HydrophobicContact CG-CG 4.42Å
444	M	97.6	Very high	91.4	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.9	177	-61.1	-169.2	-168.1	0	0	110.6	K407 F408 F410 K412 T442 E448 I449 F457	K407-M444 CarbonylContact C-O 3.31Å; K407-M444 VanDerWaalsContact CA-O 3.29Å; K407-M444 WeakPolarHBondContact CA-O 3.31Å; F408-M444 PolarHBondContact N-O 3.2Å; F408-M444 PolarHBondContact O-N 2.82Å; F410-M444 HydrophobicContact CB-SD 4.48Å; K412-M444 HydrophobicContact CG-CE 3.86Å; T442-M444 HydrophobicContact CG2-CE 3.37Å; T442-M444 HydrophobicContact CG2-CG 3.65Å; T442-M444 HydrophobicContact CG2-SD 4.36Å; M444-E448 VanDerWaalsContact CA-OE2 3.23Å; M444-E448 WeakPolarHBondContact CA-OE2 3.25Å; M444-E448 HydrophobicContact CB-CB 4Å; M444-I449 HydrophobicContact CB-CD1 4.03Å; M444-I449 HydrophobicContact CB-CG1 3.6Å; M444-I449 HydrophobicContact CG-CG1 4.43Å; M444-I449 HydrophobicContact SD-CG1 4.14Å; M444-F457 HydrophobicContact CE-CB 4.19Å; M444-F457 HydrophobicContact CE-CD2 4.05Å; M444-F457 HydrophobicContact CE-CG 4.03Å; M444-F457 HydrophobicContact SD-CD1 4.11Å; M444-F457 HydrophobicContact SD-CG 4.14Å
445	T	98.2	Very high	91.8	Very high	31 Å²	31	54.3 Å²	54.3	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	164.5	168	66.7	0	0	0	0	110.5	K407 D447 E448 I449	K407-T445 HydrophobicContact CG-CG2 4.1Å; T445-D447 PolarHBondContact O-N 3.38Å; T445-E448 PolarHBondContact N-OE2 2.97Å; T445-E448 PolarHBondContact O-N 3.19Å; T445-E448 VanDerWaalsContact OG1-CG 3.31Å; T445-E448 WeakPolarHBondContact OG1-CG 3.16Å; T445-E448 PolarHBondContact OG1-N 2.93Å; T445-E448 VanDerWaalsContact OG1-N 3.1Å; T445-I449 WeakPolarHBondContact O-CG1 3.42Å; T445-I449 PolarHBondContact O-N 3.45Å
446	V	98.6	Very high	92	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-39.7	172.9	177.4	0	0	0	0	111	I198 A201 L202 V403 F408 E448 I449 V450 A492	I198-V446 HydrophobicContact CG2-CG1 4.15Å; A201-V446 HydrophobicContact CB-CG2 4.2Å; L202-V446 HydrophobicContact CD1-CG1 4.07Å; L202-V446 HydrophobicContact CD2-CG1 3.38Å; L202-V446 HydrophobicContact CG-CG1 3.5Å; L202-V446 VanDerWaalsContact CG-CG1 3.5Å; V403-V446 HydrophobicContact CG2-CB 4.18Å; V403-V446 HydrophobicContact CG2-CG1 4Å; V403-V446 HydrophobicContact CG2-CG2 4.44Å; F408-V446 HydrophobicContact CD2-CG2 3.91Å; F408-V446 HydrophobicContact CE2-CG2 3.52Å; F408-V446 HydrophobicContact CZ-CG2 4.36Å; V446-E448 PolarHBondContact O-N 2.93Å; V446-I449 PolarHBondContact O-N 3.49Å; V446-V450 HydrophobicContact CG1-CG2 3.87Å; V446-V450 WeakPolarHBondContact O-CB 3.38Å; V446-V450 VanDerWaalsContact O-CG2 3.26Å; V446-V450 WeakPolarHBondContact O-CG2 3.4Å; V446-V450 PolarHBondContact O-N 3.39Å; V446-A492 HydrophobicContact CG1-CB 4.14Å
447	D	98.5	Very high	92.4	Very high	60 Å²	60	50.7 Å²	50.7	32%	0.321	28%	0.281	S	S	.	.	H	α-helix	trans	-56.8	-49.4	174.6	-170.2	26.6	0	0	0	111.8	T445 I449 V450 N451 A492 N493	T445-D447 PolarHBondContact O-N 3.38Å; D447-I449 VanDerWaalsContact C-N 3.3Å; D447-I449 PolarHBondContact O-N 3.5Å; D447-V450 PolarHBondContact O-N 2.93Å; D447-N451 WeakPolarHBondContact O-CA 3.44Å; D447-N451 WeakPolarHBondContact O-CB 3.41Å; D447-N451 PolarHBondContact O-N 3.48Å; D447-N451 WeakPolarHBondContact OD1-CB 3.39Å; D447-N451 PolarHBondContact OD1-ND2 3.48Å; D447-A492 WeakPolarHBondContact CB-O 3.1Å; D447-N493 VanDerWaalsContact OD1-CB 3.27Å; D447-N493 WeakPolarHBondContact OD1-CB 3.46Å
448	E	97.9	Very high	92.7	Very high	35 Å²	35	50.6 Å²	50.6	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-37.9	178.5	-72.3	172.6	146.3	0	0	112	M444 T445 V446 G452 K453 F457	M444-E448 VanDerWaalsContact CA-OE2 3.23Å; M444-E448 WeakPolarHBondContact CA-OE2 3.25Å; M444-E448 HydrophobicContact CB-CB 4Å; T445-E448 PolarHBondContact N-OE2 2.97Å; T445-E448 PolarHBondContact O-N 3.19Å; T445-E448 VanDerWaalsContact OG1-CG 3.31Å; T445-E448 WeakPolarHBondContact OG1-CG 3.16Å; T445-E448 PolarHBondContact OG1-N 2.93Å; T445-E448 VanDerWaalsContact OG1-N 3.1Å; V446-E448 PolarHBondContact O-N 2.93Å; E448-G452 CarbonylContact O-C 3.58Å; E448-G452 WeakPolarHBondContact O-CA 3.18Å; E448-G452 PolarHBondContact O-N 3.45Å; E448-K453 HydrophobicContact CB-CB 4.28Å; E448-K453 HydrophobicContact CG-CB 4.23Å; E448-K453 HydrophobicContact CG-CD 4.16Å; E448-K453 HydrophobicContact CG-CG 4.34Å; E448-K453 VanDerWaalsContact OE1-CD 3.32Å; E448-K453 WeakPolarHBondContact OE1-CD 3.19Å; E448-K453 WeakPolarHBondContact OE1-CE 2.96Å; E448-K453 IonicContact OE1-NZ 2.7Å; E448-K453 PolarHBondContact OE1-NZ 2.85Å; E448-K453 IonicContact OE2-NZ 3.92Å; E448-F457 WeakPolarHBondContact O-CD1 3.41Å
449	I	97.9	Very high	93.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-72	-44.7	178	-65	166	0	0	0	111.1	I198 F408 F410 M444 T445 V446 D447 F457 G459 L460	I198-I449 HydrophobicContact CD1-CD1 3.55Å; I198-I449 HydrophobicContact CG1-CD1 4.19Å; I198-I449 HydrophobicContact CG2-CG2 4.17Å; F408-I449 HydrophobicContact CB-CD1 4.07Å; F410-I449 HydrophobicContact CB-CD1 3.89Å; F410-I449 HydrophobicContact CB-CG1 4.1Å; F410-I449 HydrophobicContact CD1-CG1 4.18Å; F410-I449 HydrophobicContact CD1-CG2 4.21Å; F410-I449 HydrophobicContact CD2-CD1 3.82Å; F410-I449 HydrophobicContact CD2-CG1 4.26Å; F410-I449 HydrophobicContact CD2-CG2 4.2Å; F410-I449 HydrophobicContact CE1-CG2 3.98Å; F410-I449 HydrophobicContact CE2-CG2 3.96Å; F410-I449 HydrophobicContact CG-CD1 3.84Å; F410-I449 HydrophobicContact CG-CG1 3.9Å; F410-I449 HydrophobicContact CG-CG2 4.32Å; F410-I449 HydrophobicContact CZ-CG2 3.85Å; M444-I449 HydrophobicContact CB-CD1 4.03Å; M444-I449 HydrophobicContact CB-CG1 3.6Å; M444-I449 HydrophobicContact CG-CG1 4.43Å; M444-I449 HydrophobicContact SD-CG1 4.14Å; T445-I449 WeakPolarHBondContact O-CG1 3.42Å; T445-I449 PolarHBondContact O-N 3.45Å; V446-I449 PolarHBondContact O-N 3.49Å; D447-I449 VanDerWaalsContact C-N 3.3Å; D447-I449 PolarHBondContact O-N 3.5Å; I449-F457 WeakPolarHBondContact O-CE1 3.22Å; I449-G459 WeakPolarHBondContact O-CA 3.47Å; I449-L460 HydrophobicContact CG2-CD1 3.95Å; I449-L460 HydrophobicContact CG2-CG 4.19Å; I449-L460 WeakPolarHBondContact O-CG 3.29Å; I449-L460 PolarHBondContact O-N 3Å
450	V	98.2	Very high	93.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-78.7	-47.9	-173.6	174.7	0	0	0	0	111.1	I198 L202 V446 D447 G459 L460 I461 I488 A492	I198-V450 HydrophobicContact CG2-CG2 4.43Å; L202-V450 HydrophobicContact CD1-CG2 3.72Å; L202-V450 HydrophobicContact CD2-CG2 4.27Å; L202-V450 HydrophobicContact CG-CG2 4.48Å; V446-V450 HydrophobicContact CG1-CG2 3.87Å; V446-V450 WeakPolarHBondContact O-CB 3.38Å; V446-V450 VanDerWaalsContact O-CG2 3.26Å; V446-V450 WeakPolarHBondContact O-CG2 3.4Å; V446-V450 PolarHBondContact O-N 3.39Å; D447-V450 PolarHBondContact O-N 2.93Å; V450-G459 CarbonylContact O-C 3.49Å; V450-L460 PolarHBondContact O-N 3.46Å; V450-I461 HydrophobicContact CG1-CD1 4.18Å; V450-I461 HydrophobicContact CG1-CG1 3.45Å; V450-I461 VanDerWaalsContact CG1-CG1 3.45Å; V450-I461 WeakPolarHBondContact O-CB 3.42Å; V450-I461 WeakPolarHBondContact O-CG1 3.4Å; V450-I461 PolarHBondContact O-N 3.18Å; V450-I488 HydrophobicContact CG1-CG2 3.97Å; V450-A492 HydrophobicContact CB-CB 3.62Å; V450-A492 HydrophobicContact CG1-CB 3.69Å; V450-A492 HydrophobicContact CG2-CB 3.91Å
451	N	98	Very high	94.2	Very high	29 Å²	29	40.9 Å²	40.9	16%	0.155	23%	0.228	C	C	.	.	H	α-helix	trans	-99.9	-14.5	-171.6	-63.7	-32.4	0	0	0	113.5	D447 N462 R489	D447-N451 WeakPolarHBondContact O-CA 3.44Å; D447-N451 WeakPolarHBondContact O-CB 3.41Å; D447-N451 PolarHBondContact O-N 3.48Å; D447-N451 WeakPolarHBondContact OD1-CB 3.39Å; D447-N451 PolarHBondContact OD1-ND2 3.48Å; N451-N462 PolarHBondContact O-ND2 3.07Å; N451-N462 VanDerWaalsContact O-ND2 3.09Å; N451-R489 PolarHBondContact ND2-O 3.23Å; N451-R489 WeakPolarHBondContact OD1-CA 3.3Å; N451-R489 VanDerWaalsContact OD1-CB 3.24Å; N451-R489 WeakPolarHBondContact OD1-CB 3.36Å; N451-R489 WeakPolarHBondContact OD1-CG 3.47Å
452	G	95.5	Very high	94.4	Very high	13 Å²	13	42.7 Å²	42.7	13%	0.134	24%	0.237	C	C	.	.			trans	101.8	167.4	177.1	0	0	0	0	0	113	E448 F457 G459	E448-G452 CarbonylContact O-C 3.58Å; E448-G452 WeakPolarHBondContact O-CA 3.18Å; E448-G452 PolarHBondContact O-N 3.45Å; G452-F457 WeakPolarHBondContact CA-O 3.17Å; G452-G459 VanDerWaalsContact CA-CA 3.44Å
453	K	91.3	Very high	94.4	Very high	86 Å²	86	41.1 Å²	41.1	37%	0.374	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-134.3	74.8	173.1	-172.3	-179.5	-173.5	152.3	0	109.1	E448 H456 F457	E448-K453 HydrophobicContact CB-CB 4.28Å; E448-K453 HydrophobicContact CG-CB 4.23Å; E448-K453 HydrophobicContact CG-CD 4.16Å; E448-K453 HydrophobicContact CG-CG 4.34Å; E448-K453 VanDerWaalsContact OE1-CD 3.32Å; E448-K453 WeakPolarHBondContact OE1-CD 3.19Å; E448-K453 WeakPolarHBondContact OE1-CE 2.96Å; E448-K453 IonicContact OE1-NZ 2.7Å; E448-K453 PolarHBondContact OE1-NZ 2.85Å; E448-K453 IonicContact OE2-NZ 3.92Å; K453-H456 WeakPolarHBondContact O-CA 3.47Å; K453-H456 WeakPolarHBondContact O-CB 3.48Å; K453-H456 PolarHBondContact O-N 3.42Å; K453-F457 CarbonylContact C-O 3.53Å; K453-F457 HydrophobicContact CB-CB 4.22Å; K453-F457 PolarHBondContact N-O 2.92Å; K453-F457 PolarHBondContact O-N 3.49Å
454	P	84.3	Confident	94.3	Very high	110 Å²	110	37.3 Å²	37.3	71%	0.714	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	145.6	-176.7	-23.4	34.4	0	0	0	112.4	H456	P454-H456 VanDerWaalsContact C-N 3.29Å
455	P	82.7	Confident	94.1	Very high	123 Å²	123	40.5 Å²	40.5	80%	0.799	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.6	5.6	-5.1	35.8	-36.6	0	0	0	113.7
456	H	83.7	Confident	93.9	Very high	142 Å²	142	41.9 Å²	41.9	66%	0.657	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-27.7	-164.1	-56.2	-61.9	0	0	0	115.2	K453 P454	K453-H456 WeakPolarHBondContact O-CA 3.47Å; K453-H456 WeakPolarHBondContact O-CB 3.48Å; K453-H456 PolarHBondContact O-N 3.42Å; P454-H456 VanDerWaalsContact C-N 3.29Å
457	F	91.8	Very high	93.6	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-145.4	129.3	-178	-174	-106.3	0	0	0	110.6	F410 L414 M444 E448 I449 G452 K453	F410-F457 HydrophobicContact CD1-CE2 4.34Å; F410-F457 HydrophobicContact CD1-CZ 4.05Å; F410-F457 HydrophobicContact CE1-CE2 4.27Å; F410-F457 AromaticContact CE1-CZ 3.77Å; F410-F457 HydrophobicContact CE1-CZ 3.77Å; L414-F457 HydrophobicContact CD1-CE2 3.71Å; L414-F457 HydrophobicContact CD1-CZ 4.06Å; L414-F457 HydrophobicContact CD2-CE2 3.99Å; L414-F457 HydrophobicContact CG-CE2 3.89Å; M444-F457 HydrophobicContact CE-CB 4.19Å; M444-F457 HydrophobicContact CE-CD2 4.05Å; M444-F457 HydrophobicContact CE-CG 4.03Å; M444-F457 HydrophobicContact SD-CD1 4.11Å; M444-F457 HydrophobicContact SD-CG 4.14Å; E448-F457 WeakPolarHBondContact O-CD1 3.41Å; I449-F457 WeakPolarHBondContact O-CE1 3.22Å; G452-F457 WeakPolarHBondContact CA-O 3.17Å; K453-F457 CarbonylContact C-O 3.53Å; K453-F457 HydrophobicContact CB-CB 4.22Å; K453-F457 PolarHBondContact N-O 2.92Å; K453-F457 PolarHBondContact O-N 3.49Å
458	P	92.5	Very high	93.3	Very high	58 Å²	58	40.5 Å²	40.5	38%	0.377	23%	0.225	S	C	.	.			trans	-70.3	-33.6	-173.9	25.9	-34.3	0	0	0	113.4	L414 N462 L463	L414-P458 HydrophobicContact CD1-CG 4.35Å; P458-N462 WeakPolarHBondContact O-CB 3.35Å; P458-N462 PolarHBondContact O-ND2 3.39Å; P458-L463 HydrophobicContact CB-CD2 4.33Å; P458-L463 HydrophobicContact CB-CG 4.39Å; P458-L463 HydrophobicContact CG-CD1 4.28Å; P458-L463 HydrophobicContact CG-CD2 4.09Å; P458-L463 HydrophobicContact CG-CG 4.2Å
459	G	95.3	Very high	92.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.			trans	89.5	140.3	-172.6	0	0	0	0	0	113.3	I449 V450 G452 I461 N462 L463	I449-G459 WeakPolarHBondContact O-CA 3.47Å; V450-G459 CarbonylContact O-C 3.49Å; G452-G459 VanDerWaalsContact CA-CA 3.44Å; G459-I461 VanDerWaalsContact C-N 3.33Å; G459-I461 PolarHBondContact O-N 3.31Å; G459-N462 PolarHBondContact O-N 3.23Å; G459-L463 WeakPolarHBondContact O-CG 3.49Å; G459-L463 PolarHBondContact O-N 3.49Å; G459-L463 VanDerWaalsContact O-N 3.11Å
460	L	96.9	Very high	92.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-38.7	-177.3	-61.5	-178.3	0	0	0	113.1	I195 F368 L372 F383 I449 V450 L463 C464	I195-L460 HydrophobicContact CD1-CD1 4.1Å; F368-L460 HydrophobicContact CE2-CB 4.36Å; F368-L460 HydrophobicContact CZ-CB 4.26Å; F368-L460 HydrophobicContact CZ-CD1 4.11Å; L372-L460 HydrophobicContact CD1-CD2 4.24Å; L372-L460 HydrophobicContact CD2-CD1 4.48Å; F383-L460 HydrophobicContact CE1-CD2 3.82Å; F383-L460 HydrophobicContact CZ-CD2 3.74Å; I449-L460 HydrophobicContact CG2-CD1 3.95Å; I449-L460 HydrophobicContact CG2-CG 4.19Å; I449-L460 WeakPolarHBondContact O-CG 3.29Å; I449-L460 PolarHBondContact O-N 3Å; V450-L460 PolarHBondContact O-N 3.46Å; L460-L463 HydrophobicContact CD2-CD1 4.48Å; L460-L463 PolarHBondContact O-N 2.93Å; L460-C464 PolarHBondContact O-N 2.84Å; L460-C464 PolarHBondContact O-SG 3.35Å
461	I	97.2	Very high	91.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-68	-39.7	179.8	-63.2	-63.5	0	0	0	111	F368 V450 G459 L463 C464 Q465 L485 I488	F368-I461 HydrophobicContact CD2-CD1 4Å; F368-I461 HydrophobicContact CE2-CD1 3.81Å; V450-I461 HydrophobicContact CG1-CD1 4.18Å; V450-I461 HydrophobicContact CG1-CG1 3.45Å; V450-I461 VanDerWaalsContact CG1-CG1 3.45Å; V450-I461 WeakPolarHBondContact O-CB 3.42Å; V450-I461 WeakPolarHBondContact O-CG1 3.4Å; V450-I461 PolarHBondContact O-N 3.18Å; G459-I461 VanDerWaalsContact C-N 3.33Å; G459-I461 PolarHBondContact O-N 3.31Å; I461-L463 VanDerWaalsContact C-N 3.34Å; I461-C464 WeakPolarHBondContact O-CB 3.15Å; I461-C464 PolarHBondContact O-N 3.41Å; I461-Q465 HydrophobicContact CG2-CG 4.48Å; I461-Q465 WeakPolarHBondContact O-CG 3.42Å; I461-Q465 PolarHBondContact O-N 3.41Å; I461-L485 HydrophobicContact CD1-CB 4.14Å; I461-L485 HydrophobicContact CD1-CD2 3.64Å; I461-L485 HydrophobicContact CD1-CG 4.45Å; I461-L485 HydrophobicContact CG2-CB 4.22Å; I461-I488 HydrophobicContact CD1-CB 4.14Å; I461-I488 HydrophobicContact CD1-CG2 4.07Å
462	N	94.9	Very high	91	Very high	63 Å²	63	57.3 Å²	57.3	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-67.3	-37.7	177.8	-65.3	-27.5	0	0	0	111	N451 P458 G459 Q465 S466	N451-N462 PolarHBondContact O-ND2 3.07Å; N451-N462 VanDerWaalsContact O-ND2 3.09Å; P458-N462 WeakPolarHBondContact O-CB 3.35Å; P458-N462 PolarHBondContact O-ND2 3.39Å; G459-N462 PolarHBondContact O-N 3.23Å; N462-Q465 PolarHBondContact O-N 2.84Å; N462-S466 WeakPolarHBondContact O-CB 3.34Å; N462-S466 PolarHBondContact O-N 2.88Å; N462-S466 PolarHBondContact O-OG 2.78Å; N462-S466 VanDerWaalsContact O-OG 3.13Å
463	L	94.5	Very high	90.5	Very high	22 Å²	22	58.1 Å²	58.1	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-43.2	171.7	-66.4	168.1	0	0	0	111.9	V375 L381 L414 P458 G459 L460 I461 Q465 S466 Y467	V375-L463 HydrophobicContact CG1-CB 3.92Å; L381-L463 HydrophobicContact CD1-CD1 3.95Å; L414-L463 HydrophobicContact CD1-CD1 3.57Å; P458-L463 HydrophobicContact CB-CD2 4.33Å; P458-L463 HydrophobicContact CB-CG 4.39Å; P458-L463 HydrophobicContact CG-CD1 4.28Å; P458-L463 HydrophobicContact CG-CD2 4.09Å; P458-L463 HydrophobicContact CG-CG 4.2Å; G459-L463 WeakPolarHBondContact O-CG 3.49Å; G459-L463 PolarHBondContact O-N 3.49Å; G459-L463 VanDerWaalsContact O-N 3.11Å; L460-L463 HydrophobicContact CD2-CD1 4.48Å; L460-L463 PolarHBondContact O-N 2.93Å; I461-L463 VanDerWaalsContact C-N 3.34Å; L463-Q465 PolarHBondContact O-N 2.86Å; L463-S466 PolarHBondContact O-N 3.12Å; L463-Y467 PolarHBondContact O-N 3.31Å
464	C	94.9	Very high	90.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-44.4	174.7	-69.1	0	0	0	0	111.9	L371 L460 I461 Y467 L468 L485	L371-C464 HydrophobicContact CD2-CB 3.68Å; L371-C464 HydrophobicContact CG-CB 4.18Å; L460-C464 PolarHBondContact O-N 2.84Å; L460-C464 PolarHBondContact O-SG 3.35Å; I461-C464 WeakPolarHBondContact O-CB 3.15Å; I461-C464 PolarHBondContact O-N 3.41Å; C464-Y467 PolarHBondContact O-N 2.88Å; C464-L468 VanDerWaalsContact O-CG 3.32Å; C464-L468 WeakPolarHBondContact O-CG 3.35Å; C464-L468 PolarHBondContact O-N 3.49Å; C464-L485 HydrophobicContact CB-CD1 3.99Å; C464-L485 HydrophobicContact CB-CD2 4.21Å
465	Q	94.2	Very high	90.4	Very high	73 Å²	73	56.7 Å²	56.7	34%	0.341	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.9	-72.6	176.1	-4.9	0	0	112.4	I461 N462 L463 Y467 L468 N469 L485	I461-Q465 HydrophobicContact CG2-CG 4.48Å; I461-Q465 WeakPolarHBondContact O-CG 3.42Å; I461-Q465 PolarHBondContact O-N 3.41Å; N462-Q465 PolarHBondContact O-N 2.84Å; L463-Q465 PolarHBondContact O-N 2.86Å; Q465-Y467 VanDerWaalsContact C-N 3.33Å; Q465-Y467 PolarHBondContact O-N 3.17Å; Q465-L468 PolarHBondContact O-N 3.31Å; Q465-N469 PolarHBondContact O-N 3.16Å; Q465-N469 VanDerWaalsContact O-N 3.11Å; Q465-N469 PolarHBondContact O-ND2 3.32Å; Q465-L485 HydrophobicContact CG-CD1 4.3Å
466	S	93	Very high	90.7	Very high	59 Å²	59	57 Å²	57	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-42.8	174.3	-68.3	0	0	0	0	111.6	Y379 N462 L463 L468 N469	Y379-S466 PolarHBondContact OH-O 3.29Å; N462-S466 WeakPolarHBondContact O-CB 3.34Å; N462-S466 PolarHBondContact O-N 2.88Å; N462-S466 PolarHBondContact O-OG 2.78Å; N462-S466 VanDerWaalsContact O-OG 3.13Å; L463-S466 PolarHBondContact O-N 3.12Å; S466-L468 PolarHBondContact O-N 3.21Å; S466-N469 WeakPolarHBondContact O-CB 3.26Å; S466-N469 PolarHBondContact O-N 3.06Å
467	Y	92.2	Very high	90.9	Very high	30 Å²	30	50.2 Å²	50.2	12%	0.118	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-43.7	176.8	174.7	-100.5	0	0	0	111.8	L26 L371 R374 V375 S378 Y379 L463 C464 Q465 N469 S470 A471	L26-Y467 HydrophobicContact CD1-CE1 4.37Å; L371-Y467 HydrophobicContact CD1-CD1 3.65Å; L371-Y467 HydrophobicContact CD1-CE1 3.9Å; R374-Y467 HydrophobicContact CB-CE1 3.83Å; V375-Y467 HydrophobicContact CG2-CD1 4.18Å; V375-Y467 HydrophobicContact CG2-CG 3.91Å; S378-Y467 WeakPolarHBondContact OG-CE2 3.31Å; Y379-Y467 WeakPolarHBondContact OH-CA 3.36Å; Y379-Y467 PolarHBondContact OH-N 2.81Å; L463-Y467 PolarHBondContact O-N 3.31Å; C464-Y467 PolarHBondContact O-N 2.88Å; Q465-Y467 VanDerWaalsContact C-N 3.33Å; Q465-Y467 PolarHBondContact O-N 3.17Å; Y467-N469 PolarHBondContact O-N 3.16Å; Y467-S470 PolarHBondContact O-N 3.22Å; Y467-S470 VanDerWaalsContact O-N 3.11Å; Y467-S470 PolarHBondContact O-OG 3.01Å; Y467-A471 HydrophobicContact CD1-CB 4.32Å; Y467-A471 HydrophobicContact CE1-CB 3.96Å; Y467-A471 WeakPolarHBondContact O-CB 3.39Å; Y467-A471 PolarHBondContact O-N 2.87Å
468	L	91.9	Very high	90.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-25.2	178.4	-67.7	173.3	0	0	0	113	L371 C464 Q465 S466 S470 V473 R478 L481 L485	L371-L468 HydrophobicContact CD1-CD2 3.87Å; L371-L468 HydrophobicContact CD1-CG 4.24Å; L371-L468 HydrophobicContact CD2-CD1 3.86Å; L371-L468 HydrophobicContact CD2-CD2 4.33Å; L371-L468 HydrophobicContact CD2-CG 4.1Å; C464-L468 VanDerWaalsContact O-CG 3.32Å; C464-L468 WeakPolarHBondContact O-CG 3.35Å; C464-L468 PolarHBondContact O-N 3.49Å; Q465-L468 PolarHBondContact O-N 3.31Å; S466-L468 PolarHBondContact O-N 3.21Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 3.29Å; L468-V473 HydrophobicContact CD2-CG2 4.47Å; L468-R478 VanDerWaalsContact CB-CZ 3.46Å; L468-R478 PolarHBondContact O-NH1 3.44Å; L468-L481 HydrophobicContact CD1-CB 4.11Å; L468-L481 HydrophobicContact CD1-CD1 4.12Å; L468-L481 HydrophobicContact CD2-CD1 3.66Å; L468-L485 HydrophobicContact CD1-CD1 4.14Å
469	N	90.3	Very high	90.8	Very high	118 Å²	118	56.8 Å²	56.8	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-65.4	-29.9	174.4	-70.9	-26.3	0	0	0	113.3	Q465 S466 Y467 R478	Q465-N469 PolarHBondContact O-N 3.16Å; Q465-N469 VanDerWaalsContact O-N 3.11Å; Q465-N469 PolarHBondContact O-ND2 3.32Å; S466-N469 WeakPolarHBondContact O-CB 3.26Å; S466-N469 PolarHBondContact O-N 3.06Å; Y467-N469 PolarHBondContact O-N 3.16Å; N469-R478 PolarHBondContact OD1-NH1 3.16Å; N469-R478 PolarHBondContact OD1-NH2 3.26Å
470	S	85.8	Confident	90.6	Very high	87 Å²	87	57.7 Å²	57.7	61%	0.608	30%	0.304	S	S	*	.	H	α-helix	trans	-100.9	-13.3	177.4	51.8	0	0	0	0	113.7	Y467 L468	Y467-S470 PolarHBondContact O-N 3.22Å; Y467-S470 VanDerWaalsContact O-N 3.11Å; Y467-S470 PolarHBondContact O-OG 3.01Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 3.29Å
471	A	84.1	Confident	90.4	Very high	20 Å²	20	57.7 Å²	57.7	17%	0.165	30%	0.304	C	S	.	.	S	Bend	trans	-81.4	138.8	-177.5	0	0	0	0	0	112.1	L26 Y467 V473	L26-A471 HydrophobicContact CD1-CB 4.22Å; Y467-A471 HydrophobicContact CD1-CB 4.32Å; Y467-A471 HydrophobicContact CE1-CB 3.96Å; Y467-A471 WeakPolarHBondContact O-CB 3.39Å; Y467-A471 PolarHBondContact O-N 2.87Å; A471-V473 HydrophobicContact CB-CG1 4.38Å; A471-V473 PolarHBondContact O-N 3.22Å
472	E	83.6	Confident	90.3	Very high	192 Å²	192	59.9 Å²	59.9	90%	0.897	32%	0.319	S	S	*	.			trans	-74.7	91.2	171.4	-65.7	-178.6	-178.3	0	0	110.2
473	V	85	Confident	90.3	Very high	30 Å²	30	58.2 Å²	58.2	18%	0.182	31%	0.309	C	S	.	.			trans	-128.1	146.8	175.9	-67.5	0	0	0	0	110.4	L26 L468 A471 R478	L26-V473 HydrophobicContact CB-CG1 3.86Å; L26-V473 HydrophobicContact CD1-CG1 3.81Å; L26-V473 HydrophobicContact CG-CG1 4.45Å; L468-V473 HydrophobicContact CD2-CG2 4.47Å; A471-V473 HydrophobicContact CB-CG1 4.38Å; A471-V473 PolarHBondContact O-N 3.22Å; V473-R478 HydrophobicContact CG2-CB 4.06Å
474	T	87.7	Confident	90.3	Very high	51 Å²	51	57.3 Å²	57.3	31%	0.313	30%	0.304	S	S	.	.			trans	-64.6	156.9	176	80.3	0	0	0	0	111.3	E476 T477 R478	T474-E476 VanDerWaalsContact C-N 3.26Å; T474-E476 WeakPolarHBondContact CB-OE2 3.43Å; T474-E476 PolarHBondContact O-N 3.04Å; T474-E476 PolarHBondContact OG1-OE2 3.37Å; T474-T477 PolarHBondContact O-N 3.48Å; T474-T477 PolarHBondContact OG1-N 2.94Å; T474-T477 PolarHBondContact OG1-OG1 3.05Å; T474-R478 WeakPolarHBondContact O-CB 3.37Å; T474-R478 PolarHBondContact O-N 3.15Å
475	V	87.4	Confident	90.4	Very high	116 Å²	116	57.4 Å²	57.4	70%	0.703	30%	0.304	S	S	*	.	H	α-helix	trans	-59.6	-39.7	179.5	178.2	0	0	0	0	111	R478 F479	V475-R478 PolarHBondContact O-N 3.29Å; V475-F479 WeakPolarHBondContact O-CB 3.49Å; V475-F479 PolarHBondContact O-N 3.42Å
476	E	88.1	Confident	90.6	Very high	128 Å²	128	56.7 Å²	56.7	60%	0.598	30%	0.3	S	S	*	.	H	α-helix	trans	-64.4	-46.2	178.5	-55.1	72.1	-153.5	0	0	110.7	T474 F479 L480	T474-E476 VanDerWaalsContact C-N 3.26Å; T474-E476 WeakPolarHBondContact CB-OE2 3.43Å; T474-E476 PolarHBondContact O-N 3.04Å; T474-E476 PolarHBondContact OG1-OE2 3.37Å; E476-F479 PolarHBondContact O-N 3.27Å; E476-L480 WeakPolarHBondContact O-CB 3.45Å; E476-L480 PolarHBondContact O-N 2.8Å
477	T	88.2	Confident	90.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-44.2	178	-56.7	0	0	0	0	110.7	F29 T474 L480 L481	F29-T477 HydrophobicContact CB-CG2 4.12Å; T474-T477 PolarHBondContact O-N 3.48Å; T474-T477 PolarHBondContact OG1-N 2.94Å; T474-T477 PolarHBondContact OG1-OG1 3.05Å; T477-L480 PolarHBondContact O-N 3.03Å; T477-L481 HydrophobicContact CG2-CD1 4.08Å; T477-L481 WeakPolarHBondContact O-CB 3.22Å; T477-L481 WeakPolarHBondContact O-CG 3.43Å; T477-L481 PolarHBondContact O-N 2.84Å
478	R	90.3	Very high	91.1	Very high	63 Å²	63	52.5 Å²	52.5	24%	0.238	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-48.1	175.9	-174.3	76.8	-164.1	-108.8	0.5	111.5	L468 N469 V473 T474 V475 L481 C482	L468-R478 VanDerWaalsContact CB-CZ 3.46Å; L468-R478 PolarHBondContact O-NH1 3.44Å; N469-R478 PolarHBondContact OD1-NH1 3.16Å; N469-R478 PolarHBondContact OD1-NH2 3.26Å; V473-R478 HydrophobicContact CG2-CB 4.06Å; T474-R478 WeakPolarHBondContact O-CB 3.37Å; T474-R478 PolarHBondContact O-N 3.15Å; V475-R478 PolarHBondContact O-N 3.29Å; R478-L481 PolarHBondContact O-N 2.78Å; R478-C482 PolarHBondContact O-N 3.08Å; R478-C482 PolarHBondContact O-SG 2.87Å
479	F	91	Very high	91.4	Very high	136 Å²	136	57.7 Å²	57.7	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-62.7	-43.8	180	179.6	-108.1	0	0	0	111.9	V475 E476 C482 Q483	V475-F479 WeakPolarHBondContact O-CB 3.49Å; V475-F479 PolarHBondContact O-N 3.42Å; E476-F479 PolarHBondContact O-N 3.27Å; F479-C482 PolarHBondContact O-N 3.21Å; F479-Q483 VanDerWaalsContact CD1-NE2 3.26Å; F479-Q483 PolarHBondContact O-N 3.39Å
480	L	91.8	Very high	91.8	Very high	19 Å²	19	52.5 Å²	52.5	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-45.8	176.8	-178.1	64.7	0	0	0	111.9	N30 E476 T477 C482 Q483 Y484	N30-L480 HydrophobicContact CB-CD2 4.06Å; E476-L480 WeakPolarHBondContact O-CB 3.45Å; E476-L480 PolarHBondContact O-N 2.8Å; T477-L480 PolarHBondContact O-N 3.03Å; L480-C482 VanDerWaalsContact C-N 3.3Å; L480-C482 PolarHBondContact O-N 2.84Å; L480-Q483 WeakPolarHBondContact O-CB 3.27Å; L480-Q483 PolarHBondContact O-N 2.9Å; L480-Y484 HydrophobicContact CD1-CE1 4.12Å; L480-Y484 HydrophobicContact CD1-CE2 3.99Å; L480-Y484 HydrophobicContact CD2-CE2 3.76Å; L480-Y484 HydrophobicContact CG-CD2 4.11Å; L480-Y484 HydrophobicContact CG-CE2 3.51Å; L480-Y484 PolarHBondContact O-N 3.25Å
481	L	92.5	Very high	92.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-56.7	-43.4	174.8	-81.4	172.6	0	0	0	111.9	F29 C367 L371 L468 T477 R478 Q483 Y484 L485	F29-L481 HydrophobicContact CB-CD2 4.5Å; F29-L481 HydrophobicContact CD1-CD1 4.46Å; F29-L481 HydrophobicContact CD1-CD2 3.36Å; F29-L481 HydrophobicContact CD1-CG 4.25Å; F29-L481 HydrophobicContact CE1-CD2 3.75Å; F29-L481 HydrophobicContact CG-CD2 4.21Å; C367-L481 HydrophobicContact CB-CD2 4.15Å; L371-L481 HydrophobicContact CD2-CD2 4.48Å; L468-L481 HydrophobicContact CD1-CB 4.11Å; L468-L481 HydrophobicContact CD1-CD1 4.12Å; L468-L481 HydrophobicContact CD2-CD1 3.66Å; T477-L481 HydrophobicContact CG2-CD1 4.08Å; T477-L481 WeakPolarHBondContact O-CB 3.22Å; T477-L481 WeakPolarHBondContact O-CG 3.43Å; T477-L481 PolarHBondContact O-N 2.84Å; R478-L481 PolarHBondContact O-N 2.78Å; L481-Q483 VanDerWaalsContact C-N 3.27Å; L481-Q483 PolarHBondContact O-N 2.79Å; L481-Y484 PolarHBondContact O-N 3.49Å; L481-L485 WeakPolarHBondContact O-CB 3.08Å; L481-L485 VanDerWaalsContact O-CG 3.28Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 3.4Å
482	C	94.3	Very high	93.1	Very high	47 Å²	47	47.5 Å²	47.5	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-36.6	175.4	-73.3	0	0	0	0	112.5	R478 F479 L480 K486	R478-C482 PolarHBondContact O-N 3.08Å; R478-C482 PolarHBondContact O-SG 2.87Å; F479-C482 PolarHBondContact O-N 3.21Å; L480-C482 VanDerWaalsContact C-N 3.3Å; L480-C482 PolarHBondContact O-N 2.84Å; C482-K486 VanDerWaalsContact O-CB 3.29Å; C482-K486 WeakPolarHBondContact O-CB 3.4Å; C482-K486 PolarHBondContact O-N 3.1Å
483	Q	95	Very high	93.8	Very high	29 Å²	29	40.6 Å²	40.6	14%	0.136	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-43.9	175.2	-66.5	179.2	64.2	0	0	112	F479 L480 L481 K486 L487 F548	F479-Q483 VanDerWaalsContact CD1-NE2 3.26Å; F479-Q483 PolarHBondContact O-N 3.39Å; L480-Q483 WeakPolarHBondContact O-CB 3.27Å; L480-Q483 PolarHBondContact O-N 2.9Å; L481-Q483 VanDerWaalsContact C-N 3.27Å; L481-Q483 PolarHBondContact O-N 2.79Å; Q483-K486 PolarHBondContact O-N 3.44Å; Q483-L487 PolarHBondContact O-N 2.92Å; Q483-F548 HydrophobicContact CB-CE1 3.98Å; Q483-F548 HydrophobicContact CG-CE1 4.2Å; Q483-F548 WeakPolarHBondContact O-CZ 3.49Å
484	Y	96.1	Very high	94.4	Very high	2 Å²	2	40 Å²	40	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-48.8	174.8	-68.6	-31.7	0	0	0	111.7	E33 F360 A363 A364 C367 L480 L481 K486 L487 I488	E33-Y484 WeakPolarHBondContact CB-OH 3.49Å; E33-Y484 PolarHBondContact OE2-OH 3.26Å; F360-Y484 AromaticContact CD2-CD1 3.89Å; F360-Y484 HydrophobicContact CD2-CD1 3.89Å; F360-Y484 AromaticContact CD2-CE1 3.4Å; F360-Y484 HydrophobicContact CD2-CE1 3.4Å; F360-Y484 VanDerWaalsContact CD2-CE1 3.4Å; F360-Y484 AromaticContact CE2-CD1 3.35Å; F360-Y484 HydrophobicContact CE2-CD1 3.35Å; F360-Y484 AromaticContact CE2-CE1 3.31Å; F360-Y484 HydrophobicContact CE2-CE1 3.31Å; F360-Y484 HydrophobicContact CG-CE1 4.37Å; F360-Y484 AromaticContact CZ-CD1 3.91Å; F360-Y484 HydrophobicContact CZ-CD1 3.91Å; F360-Y484 HydrophobicContact CZ-CE1 4.28Å; A363-Y484 HydrophobicContact CB-CE1 4.12Å; A363-Y484 HydrophobicContact CB-CE2 4.5Å; A364-Y484 HydrophobicContact CB-CD1 3.53Å; A364-Y484 HydrophobicContact CB-CE1 4.37Å; A364-Y484 HydrophobicContact CB-CG 3.89Å; C367-Y484 HydrophobicContact CB-CD2 3.81Å; C367-Y484 HydrophobicContact CB-CE2 4.31Å; L480-Y484 HydrophobicContact CD1-CE1 4.12Å; L480-Y484 HydrophobicContact CD1-CE2 3.99Å; L480-Y484 HydrophobicContact CD2-CE2 3.76Å; L480-Y484 HydrophobicContact CG-CD2 4.11Å; L480-Y484 HydrophobicContact CG-CE2 3.51Å; L480-Y484 PolarHBondContact O-N 3.25Å; L481-Y484 PolarHBondContact O-N 3.49Å; Y484-K486 VanDerWaalsContact C-N 3.27Å; Y484-K486 PolarHBondContact O-N 2.85Å; Y484-L487 WeakPolarHBondContact O-CB 3.43Å; Y484-L487 PolarHBondContact O-N 3.04Å; Y484-L487 VanDerWaalsContact O-N 3.16Å; Y484-I488 PolarHBondContact O-N 3.35Å
485	L	96.9	Very high	94.9	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-35.2	177.7	-66.2	177.5	0	0	0	112	F368 L371 I461 C464 Q465 L468 L481 I488 R489	F368-L485 HydrophobicContact CD2-CD2 3.84Å; L371-L485 HydrophobicContact CD2-CD1 4.1Å; L371-L485 HydrophobicContact CD2-CD2 4.3Å; I461-L485 HydrophobicContact CD1-CB 4.14Å; I461-L485 HydrophobicContact CD1-CD2 3.64Å; I461-L485 HydrophobicContact CD1-CG 4.45Å; I461-L485 HydrophobicContact CG2-CB 4.22Å; C464-L485 HydrophobicContact CB-CD1 3.99Å; C464-L485 HydrophobicContact CB-CD2 4.21Å; Q465-L485 HydrophobicContact CG-CD1 4.3Å; L468-L485 HydrophobicContact CD1-CD1 4.14Å; L481-L485 WeakPolarHBondContact O-CB 3.08Å; L481-L485 VanDerWaalsContact O-CG 3.28Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 3.4Å; L485-I488 PolarHBondContact O-N 3.4Å; L485-R489 WeakPolarHBondContact O-CB 3.32Å; L485-R489 PolarHBondContact O-N 2.68Å
486	K	97.3	Very high	95.4	Very high	58 Å²	58	36.8 Å²	36.8	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-65.1	-39	174.8	176.9	169.9	171.3	52.9	0	112.4	C482 Q483 Y484 I488 R489 D490 F548	C482-K486 VanDerWaalsContact O-CB 3.29Å; C482-K486 WeakPolarHBondContact O-CB 3.4Å; C482-K486 PolarHBondContact O-N 3.1Å; Q483-K486 PolarHBondContact O-N 3.44Å; Y484-K486 VanDerWaalsContact C-N 3.27Å; Y484-K486 PolarHBondContact O-N 2.85Å; K486-I488 VanDerWaalsContact C-N 3.34Å; K486-I488 PolarHBondContact O-N 2.92Å; K486-R489 PolarHBondContact O-N 3.02Å; K486-D490 WeakPolarHBondContact CE-OD2 3.24Å; K486-D490 WeakPolarHBondContact CG-OD2 3.13Å; K486-D490 IonicContact NZ-OD1 2.67Å; K486-D490 PolarHBondContact NZ-OD1 3.43Å; K486-D490 IonicContact NZ-OD2 3.94Å; K486-D490 PolarHBondContact NZ-OD2 3.2Å; K486-D490 VanDerWaalsContact O-CB 3.31Å; K486-D490 WeakPolarHBondContact O-CB 3.48Å; K486-D490 PolarHBondContact O-N 3.04Å; K486-F548 HydrophobicContact CB-CZ 3.95Å; K486-F548 HydrophobicContact CD-CZ 3.96Å; K486-F548 HydrophobicContact CG-CE2 4.37Å; K486-F548 HydrophobicContact CG-CZ 3.79Å
487	L	97.9	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-48.3	172.4	177.7	80	0	0	0	110.9	F360 E361 A364 Q483 Y484 D490 R491 L496 F548	F360-L487 HydrophobicContact CD1-CD2 4.34Å; F360-L487 HydrophobicContact CE1-CB 4.2Å; F360-L487 HydrophobicContact CE1-CD1 4.16Å; F360-L487 HydrophobicContact CE1-CD2 3.96Å; F360-L487 HydrophobicContact CE1-CG 4.32Å; F360-L487 HydrophobicContact CZ-CB 4.49Å; E361-L487 HydrophobicContact CB-CD2 4.14Å; E361-L487 HydrophobicContact CG-CD1 4.46Å; E361-L487 HydrophobicContact CG-CD2 3.87Å; A364-L487 HydrophobicContact CB-CD2 3.56Å; Q483-L487 PolarHBondContact O-N 2.92Å; Y484-L487 WeakPolarHBondContact O-CB 3.43Å; Y484-L487 PolarHBondContact O-N 3.04Å; Y484-L487 VanDerWaalsContact O-N 3.16Å; L487-D490 PolarHBondContact O-N 2.85Å; L487-R491 WeakPolarHBondContact O-CG 3.16Å; L487-R491 PolarHBondContact O-N 3.14Å; L487-L496 HydrophobicContact CD1-CD1 3.67Å; L487-F548 HydrophobicContact CB-CD2 4.39Å; L487-F548 HydrophobicContact CB-CE2 3.96Å; L487-F548 HydrophobicContact CD1-CD2 4.13Å; L487-F548 HydrophobicContact CD1-CE2 4.37Å
488	I	98.4	Very high	96.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-46.2	-179.4	-57.3	-55.6	0	0	0	111	L202 F365 F368 V450 I461 Y484 L485 K486 D490 R491 A492	L202-I488 HydrophobicContact CD1-CG2 4.38Å; F365-I488 HydrophobicContact CD1-CD1 3.69Å; F365-I488 HydrophobicContact CD2-CD1 4.4Å; F365-I488 HydrophobicContact CE1-CD1 3.59Å; F365-I488 HydrophobicContact CE2-CD1 4.32Å; F365-I488 HydrophobicContact CG-CD1 4.1Å; F365-I488 HydrophobicContact CZ-CD1 3.92Å; F368-I488 HydrophobicContact CB-CG1 4.21Å; F368-I488 HydrophobicContact CD1-CG2 4.45Å; F368-I488 HydrophobicContact CE1-CG2 4.47Å; F368-I488 HydrophobicContact CG-CG1 4.32Å; V450-I488 HydrophobicContact CG1-CG2 3.97Å; I461-I488 HydrophobicContact CD1-CB 4.14Å; I461-I488 HydrophobicContact CD1-CG2 4.07Å; Y484-I488 PolarHBondContact O-N 3.35Å; L485-I488 PolarHBondContact O-N 3.4Å; K486-I488 VanDerWaalsContact C-N 3.34Å; K486-I488 PolarHBondContact O-N 2.92Å; I488-D490 PolarHBondContact O-N 3.31Å; I488-R491 PolarHBondContact O-N 3.14Å; I488-A492 WeakPolarHBondContact O-CB 3.41Å; I488-A492 PolarHBondContact O-N 3.26Å
489	R	98.2	Very high	96.8	Very high	110 Å²	110	30.5 Å²	30.5	42%	0.415	15%	0.152	S	C	.	.	H	α-helix	trans	-56.4	-50.4	175.8	163.4	179.9	117.4	138.4	13.4	112.3	N451 L485 K486 R491 A492 N493	N451-R489 PolarHBondContact ND2-O 3.23Å; N451-R489 WeakPolarHBondContact OD1-CA 3.3Å; N451-R489 VanDerWaalsContact OD1-CB 3.24Å; N451-R489 WeakPolarHBondContact OD1-CB 3.36Å; N451-R489 WeakPolarHBondContact OD1-CG 3.47Å; L485-R489 WeakPolarHBondContact O-CB 3.32Å; L485-R489 PolarHBondContact O-N 2.68Å; K486-R489 PolarHBondContact O-N 3.02Å; R489-R491 VanDerWaalsContact C-N 3.29Å; R489-R491 PolarHBondContact O-N 3.38Å; R489-A492 WeakPolarHBondContact O-CB 3.28Å; R489-A492 PolarHBondContact O-N 3.46Å; R489-N493 PolarHBondContact O-N 3.19Å; R489-N493 VanDerWaalsContact O-N 3.14Å
490	D	98.4	Very high	97.2	Very high	9 Å²	9	24 Å²	24	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-73.4	-25	-173.4	-67.1	-9.7	0	0	0	111.2	K486 L487 I488 N493 G494 T495 L496	K486-D490 WeakPolarHBondContact CE-OD2 3.24Å; K486-D490 WeakPolarHBondContact CG-OD2 3.13Å; K486-D490 IonicContact NZ-OD1 2.67Å; K486-D490 PolarHBondContact NZ-OD1 3.43Å; K486-D490 IonicContact NZ-OD2 3.94Å; K486-D490 PolarHBondContact NZ-OD2 3.2Å; K486-D490 VanDerWaalsContact O-CB 3.31Å; K486-D490 WeakPolarHBondContact O-CB 3.48Å; K486-D490 PolarHBondContact O-N 3.04Å; L487-D490 PolarHBondContact O-N 2.85Å; I488-D490 PolarHBondContact O-N 3.31Å; D490-N493 WeakPolarHBondContact CA-OD1 3.31Å; D490-N493 PolarHBondContact O-OD1 3.42Å; D490-G494 PolarHBondContact O-N 2.93Å; D490-T495 HydrophobicContact CB-CG2 4.33Å; D490-T495 WeakPolarHBondContact O-CA 3.41Å; D490-T495 WeakPolarHBondContact O-CB 3.4Å; D490-T495 PolarHBondContact O-N 3.45Å; D490-L496 HydrophobicContact CB-CB 4.42Å; D490-L496 HydrophobicContact CB-CD1 3.89Å; D490-L496 HydrophobicContact CB-CG 3.85Å; D490-L496 PolarHBondContact O-N 3.26Å
491	R	98.2	Very high	97.5	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-72.1	-41.2	167.1	-76.1	177.1	171.3	-158.7	0.5	112.6	E361 L487 I488 R489 N493 G494 L496	E361-R491 IonicContact OE1-CZ 3.48Å; E361-R491 IonicContact OE1-NH2 2.77Å; E361-R491 PolarHBondContact OE1-NH2 2.88Å; L487-R491 WeakPolarHBondContact O-CG 3.16Å; L487-R491 PolarHBondContact O-N 3.14Å; I488-R491 PolarHBondContact O-N 3.14Å; R489-R491 VanDerWaalsContact C-N 3.29Å; R489-R491 PolarHBondContact O-N 3.38Å; R491-N493 VanDerWaalsContact C-N 3.3Å; R491-N493 PolarHBondContact O-N 3.35Å; R491-G494 PolarHBondContact O-N 3.44Å; R491-L496 HydrophobicContact CG-CB 3.77Å
492	A	98.5	Very high	97.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-36.7	-179.5	0	0	0	0	0	112.9	L202 V446 D447 V450 I488 R489	L202-A492 HydrophobicContact CD2-CB 3.75Å; V446-A492 HydrophobicContact CG1-CB 4.14Å; D447-A492 WeakPolarHBondContact CB-O 3.1Å; V450-A492 HydrophobicContact CB-CB 3.62Å; V450-A492 HydrophobicContact CG1-CB 3.69Å; V450-A492 HydrophobicContact CG2-CB 3.91Å; I488-A492 WeakPolarHBondContact O-CB 3.41Å; I488-A492 PolarHBondContact O-N 3.26Å; R489-A492 WeakPolarHBondContact O-CB 3.28Å; R489-A492 PolarHBondContact O-N 3.46Å
493	N	97.9	Very high	98	Very high	48 Å²	48	25.1 Å²	25.1	26%	0.257	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	0.6	178	71.4	22.5	0	0	0	114.3	D447 R489 D490 R491 T495	D447-N493 VanDerWaalsContact OD1-CB 3.27Å; D447-N493 WeakPolarHBondContact OD1-CB 3.46Å; R489-N493 PolarHBondContact O-N 3.19Å; R489-N493 VanDerWaalsContact O-N 3.14Å; D490-N493 WeakPolarHBondContact CA-OD1 3.31Å; D490-N493 PolarHBondContact O-OD1 3.42Å; R491-N493 VanDerWaalsContact C-N 3.3Å; R491-N493 PolarHBondContact O-N 3.35Å; N493-T495 VanDerWaalsContact C-N 3.35Å; N493-T495 PolarHBondContact O-N 2.91Å; N493-T495 WeakPolarHBondContact OD1-CB 3.36Å; N493-T495 PolarHBondContact OD1-N 2.68Å; N493-T495 PolarHBondContact OD1-OG1 3.05Å
494	G	97.9	Very high	98.1	Very high	18 Å²	18	24.4 Å²	24.4	19%	0.186	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	5.2	178.4	0	0	0	0	0	116.5	M404 D490 R491 L496	M404-G494 WeakPolarHBondContact SD-CA 3.33Å; D490-G494 PolarHBondContact O-N 2.93Å; R491-G494 PolarHBondContact O-N 3.44Å; G494-L496 VanDerWaalsContact C-N 3.26Å; G494-L496 PolarHBondContact O-N 3.43Å
495	T	98.1	Very high	98.3	Very high	91 Å²	91	26.7 Å²	26.7	56%	0.558	13%	0.126	S	C	*	.	S	Bend	trans	-60.8	-40.1	170.5	-60.6	0	0	0	0	110.7	D490 N493	D490-T495 HydrophobicContact CB-CG2 4.33Å; D490-T495 WeakPolarHBondContact O-CA 3.41Å; D490-T495 WeakPolarHBondContact O-CB 3.4Å; D490-T495 PolarHBondContact O-N 3.45Å; N493-T495 VanDerWaalsContact C-N 3.35Å; N493-T495 PolarHBondContact O-N 2.91Å; N493-T495 WeakPolarHBondContact OD1-CB 3.36Å; N493-T495 PolarHBondContact OD1-N 2.68Å; N493-T495 PolarHBondContact OD1-OG1 3.05Å
496	L	98.3	Very high	98.3	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	14%	0.135	C	C	.	.	S	Bend	trans	-109	146.6	170.5	-63.9	179.9	0	0	0	110.2	L487 D490 R491 G494 H542 E543 G546	L487-L496 HydrophobicContact CD1-CD1 3.67Å; D490-L496 HydrophobicContact CB-CB 4.42Å; D490-L496 HydrophobicContact CB-CD1 3.89Å; D490-L496 HydrophobicContact CB-CG 3.85Å; D490-L496 PolarHBondContact O-N 3.26Å; R491-L496 HydrophobicContact CG-CB 3.77Å; G494-L496 VanDerWaalsContact C-N 3.26Å; G494-L496 PolarHBondContact O-N 3.43Å; L496-H542 WeakPolarHBondContact CD2-O 3.44Å; L496-E543 CarbonylContact C-O 3.54Å; L496-E543 WeakPolarHBondContact CA-O 3.43Å; L496-G546 VanDerWaalsContact CD2-N 3.33Å
497	W	98.5	Very high	98.4	Very high	57 Å²	57	26.1 Å²	26.1	22%	0.216	12%	0.123	C	C	.	.			trans	-85.6	151.6	-179.1	-64.6	3.6	0	0	0	111	R501 W502 E505 E543	W497-R501 HydrophobicContact CB-CB 4.32Å; W497-R501 HydrophobicContact CB-CG 4.34Å; W497-R501 HydrophobicContact CD2-CG 4.1Å; W497-R501 HydrophobicContact CE3-CG 4.2Å; W497-R501 HydrophobicContact CG-CG 4.18Å; W497-W502 HydrophobicContact CE3-CB 4.19Å; W497-E505 HydrophobicContact CE3-CB 4.45Å; W497-E505 HydrophobicContact CE3-CG 4.14Å; W497-E505 HydrophobicContact CH2-CB 4.17Å; W497-E505 HydrophobicContact CH2-CG 3.83Å; W497-E505 HydrophobicContact CZ3-CB 3.63Å; W497-E505 HydrophobicContact CZ3-CG 3.52Å; W497-E543 HydrophobicContact CD2-CB 3.83Å; W497-E543 HydrophobicContact CD2-CG 4.32Å; W497-E543 HydrophobicContact CE3-CB 3.76Å; W497-E543 HydrophobicContact CE3-CG 4.13Å; W497-E543 HydrophobicContact CG-CB 4.24Å; W497-E543 HydrophobicContact CH2-CG 4.11Å; W497-E543 HydrophobicContact CZ2-CG 4.27Å; W497-E543 HydrophobicContact CZ3-CB 4.16Å; W497-E543 HydrophobicContact CZ3-CG 4.01Å; W497-E543 PolarHBondContact N-O 3.01Å
498	T	98.7	Very high	98.4	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.025	14%	0.136	C	C	.	.			trans	-70.5	156.3	160.6	60.8	0	0	0	0	109.4	A204 V403 A500 R501 W502	A204-T498 HydrophobicContact CB-CG2 4.18Å; A204-T498 WeakPolarHBondContact O-CB 3.39Å; V403-T498 HydrophobicContact CB-CG2 4.44Å; V403-T498 HydrophobicContact CG1-CG2 3.86Å; T498-A500 PolarHBondContact O-N 2.86Å; T498-R501 PolarHBondContact O-N 2.67Å; T498-R501 WeakPolarHBondContact OG1-CB 3.29Å; T498-R501 PolarHBondContact OG1-N 3.41Å; T498-W502 PolarHBondContact O-N 2.98Å
499	L	98.7	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-33.6	175.9	-176.6	59.2	0	0	0	111.1	F56 A204 L357 R501 W502 M503 M531 L544	F56-L499 HydrophobicContact CB-CD2 3.7Å; A204-L499 PolarHBondContact O-N 2.67Å; L357-L499 HydrophobicContact CB-CD1 4.38Å; L357-L499 HydrophobicContact CB-CD2 3.99Å; L357-L499 HydrophobicContact CD2-CD1 4.28Å; L499-R501 PolarHBondContact O-N 2.92Å; L499-W502 HydrophobicContact CD1-CE3 4.16Å; L499-W502 PolarHBondContact O-N 3.33Å; L499-M503 HydrophobicContact CD1-CG 4.17Å; L499-M503 HydrophobicContact CD1-SD 4.43Å; L499-M503 HydrophobicContact CG-CG 4.27Å; L499-M503 HydrophobicContact CG-SD 3.96Å; L499-M503 WeakPolarHBondContact O-CB 3.35Å; L499-M503 VanDerWaalsContact O-CG 3.28Å; L499-M503 WeakPolarHBondContact O-CG 3.39Å; L499-M503 PolarHBondContact O-N 2.93Å; L499-M531 HydrophobicContact CD1-CE 4.4Å; L499-M531 HydrophobicContact CD2-CE 4.29Å; L499-L544 HydrophobicContact CD1-CD1 3.98Å; L499-L544 HydrophobicContact CD1-CD2 4.38Å
500	A	98.8	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-45.6	174.3	0	0	0	0	0	112.7	A204 P207 D217 T498 R504	A204-A500 HydrophobicContact CB-CB 4.06Å; A204-A500 WeakPolarHBondContact O-CB 3.33Å; A204-A500 PolarHBondContact O-N 2.97Å; P207-A500 HydrophobicContact CB-CB 4.11Å; P207-A500 HydrophobicContact CG-CB 4.11Å; P207-A500 WeakPolarHBondContact CG-O 3.46Å; D217-A500 HydrophobicContact CB-CB 3.59Å; T498-A500 PolarHBondContact O-N 2.86Å; A500-R504 WeakPolarHBondContact O-CB 3.2Å; A500-R504 PolarHBondContact O-N 2.87Å; A500-R504 VanDerWaalsContact O-N 3.12Å
501	R	98.4	Very high	98.4	Very high	69 Å²	69	36.3 Å²	36.3	26%	0.26	19%	0.185	S	C	.	.	H	α-helix	trans	-61.6	-47.8	174.3	177.6	175.8	178.1	179.8	-1	111	W497 T498 L499 M503 R504 E505	W497-R501 HydrophobicContact CB-CB 4.32Å; W497-R501 HydrophobicContact CB-CG 4.34Å; W497-R501 HydrophobicContact CD2-CG 4.1Å; W497-R501 HydrophobicContact CE3-CG 4.2Å; W497-R501 HydrophobicContact CG-CG 4.18Å; T498-R501 PolarHBondContact O-N 2.67Å; T498-R501 WeakPolarHBondContact OG1-CB 3.29Å; T498-R501 PolarHBondContact OG1-N 3.41Å; L499-R501 PolarHBondContact O-N 2.92Å; R501-M503 PolarHBondContact O-N 3.36Å; R501-R504 WeakPolarHBondContact O-CB 3.39Å; R501-R504 PolarHBondContact O-N 3.4Å; R501-E505 HydrophobicContact CG-CG 4.11Å; R501-E505 IonicContact NE-OE1 3.81Å; R501-E505 VanDerWaalsContact O-CG 3.25Å; R501-E505 WeakPolarHBondContact O-CG 3.35Å; R501-E505 PolarHBondContact O-N 3.3Å
502	W	98.6	Very high	98.5	Very high	18 Å²	18	39.7 Å²	39.7	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-45.7	-179.2	-175.5	92.4	0	0	0	112.7	W497 T498 L499 R504 E505 F506 M527 R530 M531 I534 C541 L544	W497-W502 HydrophobicContact CE3-CB 4.19Å; T498-W502 PolarHBondContact O-N 2.98Å; L499-W502 HydrophobicContact CD1-CE3 4.16Å; L499-W502 PolarHBondContact O-N 3.33Å; W502-R504 VanDerWaalsContact C-N 3.32Å; W502-R504 PolarHBondContact O-N 3.22Å; W502-E505 PolarHBondContact O-N 3.21Å; W502-F506 HydrophobicContact CH2-CB 4.38Å; W502-F506 AromaticContact CH2-CD2 3.67Å; W502-F506 HydrophobicContact CH2-CD2 3.67Å; W502-F506 HydrophobicContact CH2-CE2 4.31Å; W502-F506 HydrophobicContact CH2-CG 4.2Å; W502-F506 AromaticContact CZ2-CD2 3.98Å; W502-F506 HydrophobicContact CZ2-CD2 3.98Å; W502-F506 HydrophobicContact CZ3-CB 4.25Å; W502-F506 HydrophobicContact CZ3-CD2 4.31Å; W502-F506 HydrophobicContact CZ3-CG 4.39Å; W502-F506 WeakPolarHBondContact O-CB 3.42Å; W502-F506 PolarHBondContact O-N 2.99Å; W502-M527 HydrophobicContact CZ3-CG 4.02Å; W502-R530 HydrophobicContact CH2-CB 4.15Å; W502-R530 HydrophobicContact CH2-CG 3.82Å; W502-R530 HydrophobicContact CZ2-CG 3.85Å; W502-M531 HydrophobicContact CE3-CG 4.28Å; W502-M531 HydrophobicContact CH2-CG 3.87Å; W502-M531 HydrophobicContact CZ3-CG 3.41Å; W502-M531 VanDerWaalsContact CZ3-CG 3.41Å; W502-M531 HydrophobicContact CZ3-SD 4.09Å; W502-I534 HydrophobicContact CH2-CD1 4.1Å; W502-I534 HydrophobicContact CZ2-CD1 3.57Å; W502-C541 PolarHBondContact NE1-SG 3.35Å; W502-C541 VanDerWaalsContact NE1-SG 3.4Å; W502-L544 HydrophobicContact CB-CD1 4.29Å; W502-L544 HydrophobicContact CB-CD2 3.69Å; W502-L544 HydrophobicContact CB-CG 4.04Å; W502-L544 HydrophobicContact CD2-CD1 4.04Å; W502-L544 HydrophobicContact CG-CD1 3.82Å; W502-L544 HydrophobicContact CG-CD2 4.05Å; W502-L544 HydrophobicContact CG-CG 3.82Å
503	M	98.8	Very high	98.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-40.2	177.6	-70.5	169.7	69.9	0	0	111.5	P60 P207 I208 L499 R501 F506 V507 M527 M531	P60-M503 HydrophobicContact CG-CE 4.15Å; P207-M503 HydrophobicContact CG-CB 3.75Å; P207-M503 HydrophobicContact CG-CE 4.26Å; P207-M503 HydrophobicContact CG-SD 4.14Å; I208-M503 HydrophobicContact CD1-CE 4.04Å; L499-M503 HydrophobicContact CD1-CG 4.17Å; L499-M503 HydrophobicContact CD1-SD 4.43Å; L499-M503 HydrophobicContact CG-CG 4.27Å; L499-M503 HydrophobicContact CG-SD 3.96Å; L499-M503 WeakPolarHBondContact O-CB 3.35Å; L499-M503 VanDerWaalsContact O-CG 3.28Å; L499-M503 WeakPolarHBondContact O-CG 3.39Å; L499-M503 PolarHBondContact O-N 2.93Å; R501-M503 PolarHBondContact O-N 3.36Å; M503-F506 PolarHBondContact O-N 2.89Å; M503-V507 WeakPolarHBondContact O-CG2 3.31Å; M503-V507 PolarHBondContact O-N 3.41Å; M503-M527 HydrophobicContact CB-SD 3.86Å; M503-M527 HydrophobicContact CE-CE 3.91Å; M503-M527 HydrophobicContact CE-SD 4.16Å; M503-M527 HydrophobicContact CG-SD 3.95Å; M503-M531 HydrophobicContact CG-SD 4.18Å; M503-M531 HydrophobicContact SD-CE 4.37Å
504	R	98.4	Very high	98.5	Very high	15 Å²	15	44.3 Å²	44.3	6%	0.057	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-46.6	176.8	-172.9	178.8	-54	-79.4	-0.2	111.8	L213 A214 V216 D217 R400 A500 R501 W502 F506 V507 Q508	L213-R504 HydrophobicContact CD2-CB 4.38Å; L213-R504 HydrophobicContact CD2-CG 4.13Å; A214-R504 VanDerWaalsContact O-CZ 3.26Å; A214-R504 PolarHBondContact O-NH1 3.34Å; A214-R504 PolarHBondContact O-NH2 3.22Å; V216-R504 PolarHBondContact O-NH2 2.83Å; D217-R504 IonicContact OD1-CZ 3.33Å; D217-R504 IonicContact OD1-NE 2.65Å; D217-R504 IonicContact OD1-NH2 3.09Å; D217-R504 PolarHBondContact OD1-NH2 2.97Å; R400-R504 VanDerWaalsContact CD-CZ 3.42Å; A500-R504 WeakPolarHBondContact O-CB 3.2Å; A500-R504 PolarHBondContact O-N 2.87Å; A500-R504 VanDerWaalsContact O-N 3.12Å; R501-R504 WeakPolarHBondContact O-CB 3.39Å; R501-R504 PolarHBondContact O-N 3.4Å; W502-R504 VanDerWaalsContact C-N 3.32Å; W502-R504 PolarHBondContact O-N 3.22Å; R504-F506 VanDerWaalsContact C-N 3.32Å; R504-F506 PolarHBondContact O-N 3.21Å; R504-V507 PolarHBondContact O-N 2.97Å; R504-Q508 HydrophobicContact CG-CG 4.5Å; R504-Q508 WeakPolarHBondContact O-CB 3.42Å; R504-Q508 VanDerWaalsContact O-CG 3.29Å; R504-Q508 WeakPolarHBondContact O-CG 3.3Å; R504-Q508 PolarHBondContact O-N 2.93Å
505	E	98.4	Very high	98.5	Very high	50 Å²	50	48.6 Å²	48.6	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-41.1	177.1	-68.9	-77.4	178.2	0	0	111.2	W497 R501 W502 Q508 H509	W497-E505 HydrophobicContact CE3-CB 4.45Å; W497-E505 HydrophobicContact CE3-CG 4.14Å; W497-E505 HydrophobicContact CH2-CB 4.17Å; W497-E505 HydrophobicContact CH2-CG 3.83Å; W497-E505 HydrophobicContact CZ3-CB 3.63Å; W497-E505 HydrophobicContact CZ3-CG 3.52Å; R501-E505 HydrophobicContact CG-CG 4.11Å; R501-E505 IonicContact NE-OE1 3.81Å; R501-E505 VanDerWaalsContact O-CG 3.25Å; R501-E505 WeakPolarHBondContact O-CG 3.35Å; R501-E505 PolarHBondContact O-N 3.3Å; W502-E505 PolarHBondContact O-N 3.21Å; E505-Q508 PolarHBondContact O-N 3.16Å; E505-H509 PolarHBondContact O-N 2.9Å; E505-H509 VanDerWaalsContact O-N 3.13Å; E505-H509 PolarHBondContact O-ND1 3.4Å; E505-H509 IonicContact OE2-CE1 2.82Å; E505-H509 PolarHBondContact OE2-CE1 3.35Å; E505-H509 IonicContact OE2-ND1 3.92Å
506	F	98.7	Very high	98.5	Very high	47 Å²	47	46 Å²	46	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-50.4	174.8	-172.7	-80.6	0	0	0	111.5	W502 M503 R504 H509 H510 D526 M527 R530	W502-F506 HydrophobicContact CH2-CB 4.38Å; W502-F506 AromaticContact CH2-CD2 3.67Å; W502-F506 HydrophobicContact CH2-CD2 3.67Å; W502-F506 HydrophobicContact CH2-CE2 4.31Å; W502-F506 HydrophobicContact CH2-CG 4.2Å; W502-F506 AromaticContact CZ2-CD2 3.98Å; W502-F506 HydrophobicContact CZ2-CD2 3.98Å; W502-F506 HydrophobicContact CZ3-CB 4.25Å; W502-F506 HydrophobicContact CZ3-CD2 4.31Å; W502-F506 HydrophobicContact CZ3-CG 4.39Å; W502-F506 WeakPolarHBondContact O-CB 3.42Å; W502-F506 PolarHBondContact O-N 2.99Å; M503-F506 PolarHBondContact O-N 2.89Å; R504-F506 VanDerWaalsContact C-N 3.32Å; R504-F506 PolarHBondContact O-N 3.21Å; F506-H509 PolarHBondContact O-N 3.12Å; F506-H510 AromaticContact CE1-CD2 3.75Å; F506-H510 PolarHBondContact O-N 2.94Å; F506-H510 VanDerWaalsContact O-N 3.13Å; F506-D526 HydrophobicContact CE1-CB 4.3Å; F506-D526 HydrophobicContact CZ-CB 4.1Å; F506-M527 HydrophobicContact CD1-CB 3.55Å; F506-M527 HydrophobicContact CD1-CG 3.76Å; F506-M527 HydrophobicContact CD1-SD 4.4Å; F506-M527 HydrophobicContact CE1-CB 3.48Å; F506-M527 VanDerWaalsContact CE1-CB 3.48Å; F506-M527 HydrophobicContact CE1-CG 4.17Å; F506-M527 VanDerWaalsContact CE1-N 3.29Å; F506-M527 HydrophobicContact CG-CB 4.33Å; F506-M527 HydrophobicContact CG-CG 4.11Å; F506-M527 HydrophobicContact CZ-CB 4.2Å; F506-R530 HydrophobicContact CE2-CB 3.92Å; F506-R530 HydrophobicContact CE2-CG 3.99Å; F506-R530 HydrophobicContact CZ-CB 4.42Å
507	V	98.8	Very high	98.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-48.2	178	171.1	0	0	0	0	110.8	I208 L213 M503 R504 H509 H510 Y513 V519 I523 M527	I208-V507 HydrophobicContact CD1-CG2 3.91Å; L213-V507 HydrophobicContact CD1-CB 4.33Å; L213-V507 HydrophobicContact CD1-CG1 3.71Å; L213-V507 HydrophobicContact CD2-CB 4.43Å; L213-V507 HydrophobicContact CD2-CG1 4.44Å; L213-V507 HydrophobicContact CG-CG1 4.11Å; M503-V507 WeakPolarHBondContact O-CG2 3.31Å; M503-V507 PolarHBondContact O-N 3.41Å; R504-V507 PolarHBondContact O-N 2.97Å; V507-H509 PolarHBondContact O-N 3.49Å; V507-H510 WeakPolarHBondContact O-CB 3.39Å; V507-H510 PolarHBondContact O-N 2.6Å; V507-H510 VanDerWaalsContact O-N 3.08Å; V507-Y513 HydrophobicContact CG1-CD2 3.66Å; V507-Y513 HydrophobicContact CG1-CE2 3.82Å; V507-Y513 HydrophobicContact CG1-CG 4.05Å; V507-Y513 WeakPolarHBondContact O-CB 3.4Å; V507-Y513 WeakPolarHBondContact O-CD1 3.38Å; V507-Y513 VanDerWaalsContact O-CG 3.26Å; V507-V519 HydrophobicContact CG1-CG2 4.02Å; V507-V519 HydrophobicContact CG2-CG1 4.27Å; V507-V519 HydrophobicContact CG2-CG2 4.06Å; V507-I523 HydrophobicContact CB-CG2 4.34Å; V507-I523 HydrophobicContact CG1-CG2 4.29Å; V507-I523 HydrophobicContact CG2-CG2 3.86Å; V507-M527 HydrophobicContact CG2-SD 4.24Å
508	Q	98.2	Very high	98.5	Very high	55 Å²	55	45.3 Å²	45.3	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-27.7	-174.2	-74.6	179.4	-7.6	0	0	113.8	Y120 L213 R504 E505 Y513	Y120-Q508 VanDerWaalsContact CE1-NE2 3.27Å; Y120-Q508 VanDerWaalsContact CZ-NE2 3.29Å; Y120-Q508 PolarHBondContact OH-NE2 2.91Å; Y120-Q508 VanDerWaalsContact OH-NE2 3.13Å; L213-Q508 HydrophobicContact CD1-CG 4.39Å; R504-Q508 HydrophobicContact CG-CG 4.5Å; R504-Q508 WeakPolarHBondContact O-CB 3.42Å; R504-Q508 VanDerWaalsContact O-CG 3.29Å; R504-Q508 WeakPolarHBondContact O-CG 3.3Å; R504-Q508 PolarHBondContact O-N 2.93Å; E505-Q508 PolarHBondContact O-N 3.16Å; Q508-Y513 HydrophobicContact CB-CE1 4.45Å; Q508-Y513 HydrophobicContact CG-CE1 4.07Å
509	H	98.5	Very high	98.5	Very high	142 Å²	142	45.1 Å²	45.1	66%	0.657	22%	0.218	S	C	*	.	H	α-helix	trans	-96.8	-1.2	177	-66	92.7	0	0	0	113.5	E505 F506 V507	E505-H509 PolarHBondContact O-N 2.9Å; E505-H509 VanDerWaalsContact O-N 3.13Å; E505-H509 PolarHBondContact O-ND1 3.4Å; E505-H509 IonicContact OE2-CE1 2.82Å; E505-H509 PolarHBondContact OE2-CE1 3.35Å; E505-H509 IonicContact OE2-ND1 3.92Å; F506-H509 PolarHBondContact O-N 3.12Å; V507-H509 PolarHBondContact O-N 3.49Å
510	H	98.7	Very high	98.4	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.083	23%	0.23	C	C	.	.			trans	-68.7	134.9	179.5	-164.2	-81.8	0	0	0	111.1	F506 V507 D512 Y513 I523 D526	F506-H510 AromaticContact CE1-CD2 3.75Å; F506-H510 PolarHBondContact O-N 2.94Å; F506-H510 VanDerWaalsContact O-N 3.13Å; V507-H510 WeakPolarHBondContact O-CB 3.39Å; V507-H510 PolarHBondContact O-N 2.6Å; V507-H510 VanDerWaalsContact O-N 3.08Å; H510-D512 VanDerWaalsContact C-N 3.28Å; H510-D512 PolarHBondContact ND1-N 2.8Å; H510-D512 VanDerWaalsContact ND1-N 3.15Å; H510-D512 PolarHBondContact O-N 3.1Å; H510-Y513 WeakPolarHBondContact O-CB 3.08Å; H510-Y513 PolarHBondContact O-N 2.88Å; H510-I523 HydrophobicContact CB-CG1 4.2Å; H510-I523 HydrophobicContact CB-CG2 4.24Å; H510-I523 WeakPolarHBondContact ND1-CG1 3.41Å; H510-D526 IonicContact CE1-OD2 3.98Å; H510-D526 IonicContact NE2-OD2 3.08Å; H510-D526 PolarHBondContact NE2-OD2 3.33Å; H510-D526 VanDerWaalsContact NE2-OD2 3.08Å
511	P	98.4	Very high	98.3	Very high	119 Å²	119	50.4 Å²	50.4	77%	0.773	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.3	-178.8	-27.2	34.8	0	0	0	114.3	Y513	P511-Y513 VanDerWaalsContact C-N 3.26Å; P511-Y513 PolarHBondContact O-N 3.33Å
512	D	98.3	Very high	98.3	Very high	73 Å²	73	51.2 Å²	51.2	39%	0.39	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.8	178.3	-68.7	-1.9	0	0	0	114	H510 K514 N522 I523	H510-D512 VanDerWaalsContact C-N 3.28Å; H510-D512 PolarHBondContact ND1-N 2.8Å; H510-D512 VanDerWaalsContact ND1-N 3.15Å; H510-D512 PolarHBondContact O-N 3.1Å; D512-K514 PolarHBondContact O-N 2.7Å; D512-N522 WeakPolarHBondContact OD2-CB 3.06Å; D512-N522 PolarHBondContact OD2-ND2 2.93Å; D512-I523 HydrophobicContact CB-CD1 4.29Å; D512-I523 HydrophobicContact CB-CG1 4.03Å
513	Y	98.7	Very high	98.3	Very high	17 Å²	17	50.4 Å²	50.4	7%	0.067	26%	0.256	C	S	.	.			trans	-74.8	125.3	-175.8	-178.9	-119	0	0	0	111.6	D122 L213 V507 Q508 H510 P511 K515 S517 V518 I523	D122-Y513 WeakPolarHBondContact OD2-CE1 3.44Å; D122-Y513 VanDerWaalsContact OD2-CZ 3.3Å; D122-Y513 PolarHBondContact OD2-OH 3.02Å; L213-Y513 HydrophobicContact CD1-CE2 4.29Å; V507-Y513 HydrophobicContact CG1-CD2 3.66Å; V507-Y513 HydrophobicContact CG1-CE2 3.82Å; V507-Y513 HydrophobicContact CG1-CG 4.05Å; V507-Y513 WeakPolarHBondContact O-CB 3.4Å; V507-Y513 WeakPolarHBondContact O-CD1 3.38Å; V507-Y513 VanDerWaalsContact O-CG 3.26Å; Q508-Y513 HydrophobicContact CB-CE1 4.45Å; Q508-Y513 HydrophobicContact CG-CE1 4.07Å; H510-Y513 WeakPolarHBondContact O-CB 3.08Å; H510-Y513 PolarHBondContact O-N 2.88Å; P511-Y513 VanDerWaalsContact C-N 3.26Å; P511-Y513 PolarHBondContact O-N 3.33Å; Y513-K515 HydrophobicContact CD1-CG 4.45Å; Y513-K515 VanDerWaalsContact CE1-CA 3.43Å; Y513-K515 HydrophobicContact CE1-CB 4.38Å; Y513-K515 HydrophobicContact CE1-CG 4.33Å; Y513-S517 VanDerWaalsContact OH-CA 3.32Å; Y513-S517 WeakPolarHBondContact OH-CA 3.32Å; Y513-S517 PolarHBondContact OH-N 2.99Å; Y513-V518 WeakPolarHBondContact CD2-O 3.36Å; Y513-I523 HydrophobicContact CD2-CD1 4.25Å
514	K	98.3	Very high	98.2	Very high	128 Å²	128	50.4 Å²	50.4	56%	0.557	26%	0.256	S	S	*	.			trans	-96.3	15.7	-172.9	-64.8	175.3	-171.9	173.4	0	112.7	R124 D512 D516	R124-K514 PolarHBondContact NE-O 3Å; R124-K514 VanDerWaalsContact NH2-CA 3.29Å; R124-K514 PolarHBondContact NH2-O 3.31Å; D512-K514 PolarHBondContact O-N 2.7Å; K514-D516 HydrophobicContact CB-CB 4.41Å; K514-D516 WeakPolarHBondContact CB-OD2 3.19Å; K514-D516 PolarHBondContact O-N 2.95Å; K514-D516 VanDerWaalsContact O-N 3.13Å
515	K	98.2	Very high	98.1	Very high	109 Å²	109	52.7 Å²	52.7	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	54.7	30.4	-178.7	-51.8	-174	178.4	-173.9	0	112.6	D122 V123 R124 Y513	D122-K515 VanDerWaalsContact CB-O 3.3Å; D122-K515 WeakPolarHBondContact CB-O 3.23Å; D122-K515 WeakPolarHBondContact OD2-CA 3.32Å; V123-K515 HydrophobicContact CB-CB 4.34Å; V123-K515 HydrophobicContact CG2-CD 4.48Å; V123-K515 PolarHBondContact N-O 3.16Å; R124-K515 VanDerWaalsContact CA-O 3.32Å; R124-K515 WeakPolarHBondContact CA-O 3.28Å; R124-K515 WeakPolarHBondContact CB-O 3.23Å; R124-K515 PolarHBondContact N-O 3.34Å; Y513-K515 HydrophobicContact CD1-CG 4.45Å; Y513-K515 VanDerWaalsContact CE1-CA 3.43Å; Y513-K515 HydrophobicContact CE1-CB 4.38Å; Y513-K515 HydrophobicContact CE1-CG 4.33Å
516	D	98.2	Very high	98.1	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.193	27%	0.27	C	S	.	.	S	Bend	trans	-117.4	9.1	-175.4	60.3	-6.8	0	0	0	111.8	R124 K514 V518	R124-D516 HydrophobicContact CB-CB 4.24Å; K514-D516 HydrophobicContact CB-CB 4.41Å; K514-D516 WeakPolarHBondContact CB-OD2 3.19Å; K514-D516 PolarHBondContact O-N 2.95Å; K514-D516 VanDerWaalsContact O-N 3.13Å; D516-V518 HydrophobicContact CB-CG2 4.47Å; D516-V518 PolarHBondContact O-N 3.11Å; D516-V518 WeakPolarHBondContact OD1-CB 3.38Å; D516-V518 PolarHBondContact OD1-N 3.28Å; D516-V518 VanDerWaalsContact OD1-N 3.08Å
517	S	98.6	Very high	98.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	66.7	5.7	-174	-54.7	0	0	0	0	115.1	Y120 T125 Y212 L213 Y513	Y120-S517 WeakPolarHBondContact O-CB 3.44Å; Y120-S517 PolarHBondContact O-OG 3.08Å; T125-S517 PolarHBondContact OG1-OG 3.38Å; Y212-S517 CarbonylContact C-O 3.51Å; Y212-S517 VanDerWaalsContact CA-O 3.22Å; Y212-S517 WeakPolarHBondContact CA-O 3.43Å; L213-S517 PolarHBondContact N-O 3.06Å; Y513-S517 VanDerWaalsContact OH-CA 3.32Å; Y513-S517 WeakPolarHBondContact OH-CA 3.32Å; Y513-S517 PolarHBondContact OH-N 2.99Å
518	V	98.5	Very high	98.1	Very high	49 Å²	49	52 Å²	52	30%	0.297	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-85.9	125.7	178.8	-178.3	0	0	0	0	110.5	Y212 Y513 D516	Y212-V518 HydrophobicContact CD1-CG2 4.17Å; Y212-V518 HydrophobicContact CE1-CG2 3.86Å; Y513-V518 WeakPolarHBondContact CD2-O 3.36Å; D516-V518 HydrophobicContact CB-CG2 4.47Å; D516-V518 PolarHBondContact O-N 3.11Å; D516-V518 WeakPolarHBondContact OD1-CB 3.38Å; D516-V518 PolarHBondContact OD1-N 3.28Å; D516-V518 VanDerWaalsContact OD1-N 3.08Å
519	V	98.6	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.			trans	-98.7	93.9	171.7	-175	0	0	0	0	108	R61 I208 G211 L213 V507 I523 C524	R61-V519 PolarHBondContact NH1-O 3.37Å; I208-V519 HydrophobicContact CD1-CG1 4.46Å; I208-V519 HydrophobicContact CD1-CG2 4.07Å; I208-V519 HydrophobicContact CG1-CG2 4.12Å; I208-V519 HydrophobicContact CG2-CB 4.19Å; I208-V519 HydrophobicContact CG2-CG2 3.76Å; G211-V519 PolarHBondContact O-N 3.08Å; L213-V519 HydrophobicContact CG-CG2 4.15Å; V507-V519 HydrophobicContact CG1-CG2 4.02Å; V507-V519 HydrophobicContact CG2-CG1 4.27Å; V507-V519 HydrophobicContact CG2-CG2 4.06Å; V519-I523 HydrophobicContact CG1-CB 4.2Å; V519-I523 HydrophobicContact CG1-CG2 3.91Å; V519-C524 HydrophobicContact CG1-CB 4.32Å
520	S	97.5	Very high	98	Very high	36 Å²	36	51.7 Å²	51.7	25%	0.252	26%	0.262	S	S	.	.			trans	-63.1	168.5	179.2	74.5	0	0	0	0	112.5	N522 I523 C524	S520-N522 PolarHBondContact O-N 3.47Å; S520-I523 PolarHBondContact O-N 3.44Å; S520-I523 WeakPolarHBondContact OG-CD1 3.4Å; S520-I523 VanDerWaalsContact OG-CG1 3.28Å; S520-I523 WeakPolarHBondContact OG-CG1 3.42Å; S520-I523 PolarHBondContact OG-N 3.5Å; S520-C524 WeakPolarHBondContact O-CB 3.46Å; S520-C524 PolarHBondContact O-N 2.69Å
521	D	96	Very high	98	Very high	75 Å²	75	50.9 Å²	50.9	40%	0.401	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-44.1	177.2	-173.7	66.1	0	0	0	112.5	R10 R61 C524 Y525	R10-D521 IonicContact CZ-OD2 3.33Å; R10-D521 PolarHBondContact NH1-O 3.09Å; R10-D521 VanDerWaalsContact NH1-O 3.15Å; R10-D521 IonicContact NH1-OD1 3.76Å; R10-D521 PolarHBondContact NH1-OD1 2.9Å; R10-D521 VanDerWaalsContact NH1-OD1 3.13Å; R10-D521 IonicContact NH1-OD2 2.66Å; R10-D521 PolarHBondContact NH1-OD2 3.44Å; R10-D521 IonicContact NH2-OD2 3.89Å; R61-D521 IonicContact NE-OD1 3.6Å; D521-C524 WeakPolarHBondContact O-CB 3.48Å; D521-C524 PolarHBondContact O-N 3Å; D521-Y525 PolarHBondContact O-N 2.78Å
522	N	97.4	Very high	97.8	Very high	87 Å²	87	47.5 Å²	47.5	47%	0.465	23%	0.232	S	C	.	.	H	α-helix	trans	-59.5	-47.9	175	-68	-9.2	0	0	0	112.4	D512 S520 C524 Y525 D526	D512-N522 WeakPolarHBondContact OD2-CB 3.06Å; D512-N522 PolarHBondContact OD2-ND2 2.93Å; S520-N522 PolarHBondContact O-N 3.47Å; N522-C524 VanDerWaalsContact C-N 3.27Å; N522-C524 PolarHBondContact O-N 3.38Å; N522-Y525 VanDerWaalsContact O-CB 3.28Å; N522-Y525 WeakPolarHBondContact O-CB 3.46Å; N522-Y525 PolarHBondContact O-N 3.24Å; N522-Y525 VanDerWaalsContact O-N 3.12Å; N522-D526 PolarHBondContact O-N 3.29Å
523	I	98.5	Very high	97.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-44.3	178.5	-63.2	166.3	0	0	0	110	V507 H510 D512 Y513 V519 S520 Y525 M527	V507-I523 HydrophobicContact CB-CG2 4.34Å; V507-I523 HydrophobicContact CG1-CG2 4.29Å; V507-I523 HydrophobicContact CG2-CG2 3.86Å; H510-I523 HydrophobicContact CB-CG1 4.2Å; H510-I523 HydrophobicContact CB-CG2 4.24Å; H510-I523 WeakPolarHBondContact ND1-CG1 3.41Å; D512-I523 HydrophobicContact CB-CD1 4.29Å; D512-I523 HydrophobicContact CB-CG1 4.03Å; Y513-I523 HydrophobicContact CD2-CD1 4.25Å; V519-I523 HydrophobicContact CG1-CB 4.2Å; V519-I523 HydrophobicContact CG1-CG2 3.91Å; S520-I523 PolarHBondContact O-N 3.44Å; S520-I523 WeakPolarHBondContact OG-CD1 3.4Å; S520-I523 VanDerWaalsContact OG-CG1 3.28Å; S520-I523 WeakPolarHBondContact OG-CG1 3.42Å; S520-I523 PolarHBondContact OG-N 3.5Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 3.03Å; I523-M527 VanDerWaalsContact O-CB 3.26Å; I523-M527 WeakPolarHBondContact O-CB 3.24Å; I523-M527 PolarHBondContact O-N 3Å; I523-M527 VanDerWaalsContact O-N 3.08Å
524	C	97.9	Very high	97.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-43.3	178	-170.6	0	0	0	0	111.2	R61 V519 S520 D521 N522 L528	R61-C524 VanDerWaalsContact CD-CB 3.47Å; R61-C524 HydrophobicContact CG-CB 3.94Å; V519-C524 HydrophobicContact CG1-CB 4.32Å; S520-C524 WeakPolarHBondContact O-CB 3.46Å; S520-C524 PolarHBondContact O-N 2.69Å; D521-C524 WeakPolarHBondContact O-CB 3.48Å; D521-C524 PolarHBondContact O-N 3Å; N522-C524 VanDerWaalsContact C-N 3.27Å; N522-C524 PolarHBondContact O-N 3.38Å; C524-L528 WeakPolarHBondContact O-CB 3.45Å; C524-L528 VanDerWaalsContact O-CG 3.23Å; C524-L528 WeakPolarHBondContact O-CG 3.34Å; C524-L528 PolarHBondContact O-N 3.5Å
525	Y	96.8	Very high	97.4	Very high	63 Å²	63	38.5 Å²	38.5	25%	0.247	19%	0.191	C	C	.	.	H	α-helix	trans	-56.9	-55.7	176.8	-171.7	-137.9	0	0	0	113.3	V8 R10 D521 N522 I523 M527 L528 N529	V8-Y525 HydrophobicContact CB-CE2 4.4Å; V8-Y525 HydrophobicContact CG1-CD2 4.39Å; V8-Y525 HydrophobicContact CG1-CE1 4.42Å; V8-Y525 HydrophobicContact CG1-CE2 3.46Å; V8-Y525 VanDerWaalsContact CG1-CE2 3.46Å; V8-Y525 WeakPolarHBondContact CG1-OH 3.47Å; R10-Y525 VanDerWaalsContact NH1-CB 3.32Å; R10-Y525 VanDerWaalsContact NH2-CD1 3.29Å; D521-Y525 PolarHBondContact O-N 2.78Å; N522-Y525 VanDerWaalsContact O-CB 3.28Å; N522-Y525 WeakPolarHBondContact O-CB 3.46Å; N522-Y525 PolarHBondContact O-N 3.24Å; N522-Y525 VanDerWaalsContact O-N 3.12Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 3.03Å; Y525-M527 PolarHBondContact O-N 3Å; Y525-L528 PolarHBondContact O-N 3.4Å; Y525-L528 VanDerWaalsContact O-N 3.09Å; Y525-N529 WeakPolarHBondContact CE1-ND2 3.11Å; Y525-N529 WeakPolarHBondContact CE2-ND2 3.23Å; Y525-N529 WeakPolarHBondContact O-CB 3.24Å; Y525-N529 PolarHBondContact O-N 2.9Å; Y525-N529 PolarHBondContact OH-ND2 3.48Å
526	D	98.4	Very high	97.1	Very high	64 Å²	64	36.5 Å²	36.5	34%	0.342	19%	0.188	S	C	.	.	H	α-helix	trans	-66.5	-36.4	-170.5	-69	-18.8	0	0	0	109	F506 H510 N522 R530	F506-D526 HydrophobicContact CE1-CB 4.3Å; F506-D526 HydrophobicContact CZ-CB 4.1Å; H510-D526 IonicContact CE1-OD2 3.98Å; H510-D526 IonicContact NE2-OD2 3.08Å; H510-D526 PolarHBondContact NE2-OD2 3.33Å; H510-D526 VanDerWaalsContact NE2-OD2 3.08Å; N522-D526 PolarHBondContact O-N 3.29Å; D526-R530 VanDerWaalsContact O-CB 3.29Å; D526-R530 WeakPolarHBondContact O-CB 3.41Å; D526-R530 PolarHBondContact O-N 3.02Å
527	M	98.4	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-50.9	171.6	-171.6	177.7	60.2	0	0	111.7	P60 I208 W502 M503 F506 V507 I523 Y525 N529 R530 M531	P60-M527 HydrophobicContact CB-CE 4.06Å; P60-M527 HydrophobicContact CG-CE 3.48Å; P60-M527 VanDerWaalsContact CG-CE 3.48Å; I208-M527 HydrophobicContact CD1-CE 3.83Å; I208-M527 HydrophobicContact CD1-SD 4.1Å; W502-M527 HydrophobicContact CZ3-CG 4.02Å; M503-M527 HydrophobicContact CB-SD 3.86Å; M503-M527 HydrophobicContact CE-CE 3.91Å; M503-M527 HydrophobicContact CE-SD 4.16Å; M503-M527 HydrophobicContact CG-SD 3.95Å; F506-M527 HydrophobicContact CD1-CB 3.55Å; F506-M527 HydrophobicContact CD1-CG 3.76Å; F506-M527 HydrophobicContact CD1-SD 4.4Å; F506-M527 HydrophobicContact CE1-CB 3.48Å; F506-M527 VanDerWaalsContact CE1-CB 3.48Å; F506-M527 HydrophobicContact CE1-CG 4.17Å; F506-M527 VanDerWaalsContact CE1-N 3.29Å; F506-M527 HydrophobicContact CG-CB 4.33Å; F506-M527 HydrophobicContact CG-CG 4.11Å; F506-M527 HydrophobicContact CZ-CB 4.2Å; V507-M527 HydrophobicContact CG2-SD 4.24Å; I523-M527 VanDerWaalsContact O-CB 3.26Å; I523-M527 WeakPolarHBondContact O-CB 3.24Å; I523-M527 PolarHBondContact O-N 3Å; I523-M527 VanDerWaalsContact O-N 3.08Å; Y525-M527 PolarHBondContact O-N 3Å; M527-N529 PolarHBondContact O-N 3.47Å; M527-R530 PolarHBondContact O-N 2.75Å; M527-M531 HydrophobicContact CG-CG 4.44Å; M527-M531 HydrophobicContact CG-SD 3.85Å; M527-M531 WeakPolarHBondContact O-CB 3.36Å; M527-M531 VanDerWaalsContact O-CG 3.24Å; M527-M531 WeakPolarHBondContact O-CG 3.12Å; M527-M531 PolarHBondContact O-N 2.7Å; M527-M531 HydrophobicContact SD-SD 4.47Å
528	L	97.7	Very high	96.4	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-40.1	-178.3	-70	176.8	0	0	0	112.2	M54 F56 F59 C524 Y525 M531 H532	M54-L528 HydrophobicContact CE-CB 4.39Å; M54-L528 HydrophobicContact CE-CD2 3.97Å; M54-L528 VanDerWaalsContact CE-O 3.28Å; M54-L528 WeakPolarHBondContact CE-O 3.41Å; M54-L528 HydrophobicContact SD-CB 4.35Å; M54-L528 HydrophobicContact SD-CD2 4.24Å; F56-L528 HydrophobicContact CE1-CD2 4.05Å; F56-L528 HydrophobicContact CE2-CD2 4.11Å; F56-L528 HydrophobicContact CZ-CD2 3.48Å; F56-L528 VanDerWaalsContact CZ-CD2 3.48Å; F59-L528 HydrophobicContact CD2-CD1 4.32Å; F59-L528 HydrophobicContact CE2-CD1 3.68Å; C524-L528 WeakPolarHBondContact O-CB 3.45Å; C524-L528 VanDerWaalsContact O-CG 3.23Å; C524-L528 WeakPolarHBondContact O-CG 3.34Å; C524-L528 PolarHBondContact O-N 3.5Å; Y525-L528 PolarHBondContact O-N 3.4Å; Y525-L528 VanDerWaalsContact O-N 3.09Å; L528-M531 HydrophobicContact CD2-SD 4.29Å; L528-M531 PolarHBondContact O-N 3.04Å; L528-H532 WeakPolarHBondContact O-CB 3.44Å; L528-H532 PolarHBondContact O-N 2.99Å
529	N	97.4	Very high	96.2	Very high	74 Å²	74	40.4 Å²	40.4	40%	0.396	22%	0.219	S	C	.	.	H	α-helix	trans	-60.1	-46.3	172.6	-82.3	-23.7	0	0	0	111.7	Y525 M527 M531 H532 G533	Y525-N529 WeakPolarHBondContact CE1-ND2 3.11Å; Y525-N529 WeakPolarHBondContact CE2-ND2 3.23Å; Y525-N529 WeakPolarHBondContact O-CB 3.24Å; Y525-N529 PolarHBondContact O-N 2.9Å; Y525-N529 PolarHBondContact OH-ND2 3.48Å; M527-N529 PolarHBondContact O-N 3.47Å; N529-M531 VanDerWaalsContact C-N 3.35Å; N529-H532 PolarHBondContact O-N 2.94Å; N529-G533 PolarHBondContact O-N 3.42Å
530	R	97.8	Very high	96	Very high	116 Å²	116	46.1 Å²	46.1	44%	0.438	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-44.1	177.8	-172.5	65.9	172.5	174.1	2.8	111.1	W502 F506 D526 M527 G533 I534 V539	W502-R530 HydrophobicContact CH2-CB 4.15Å; W502-R530 HydrophobicContact CH2-CG 3.82Å; W502-R530 HydrophobicContact CZ2-CG 3.85Å; F506-R530 HydrophobicContact CE2-CB 3.92Å; F506-R530 HydrophobicContact CE2-CG 3.99Å; F506-R530 HydrophobicContact CZ-CB 4.42Å; D526-R530 VanDerWaalsContact O-CB 3.29Å; D526-R530 WeakPolarHBondContact O-CB 3.41Å; D526-R530 PolarHBondContact O-N 3.02Å; M527-R530 PolarHBondContact O-N 2.75Å; R530-G533 PolarHBondContact O-N 2.95Å; R530-I534 HydrophobicContact CG-CD1 4.32Å; R530-I534 VanDerWaalsContact O-CG1 3.32Å; R530-I534 WeakPolarHBondContact O-CG1 3.28Å; R530-I534 PolarHBondContact O-N 3.21Å; R530-V539 VanDerWaalsContact NH2-CG1 3.35Å
531	M	97.8	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-43.1	175.1	-75	172.1	65.2	0	0	111.7	M54 F56 L357 L499 W502 M503 M527 L528 N529 G533 I534 Q535	M54-M531 HydrophobicContact CE-CB 3.46Å; M54-M531 VanDerWaalsContact CE-CB 3.46Å; M54-M531 HydrophobicContact CE-CE 4.29Å; F56-M531 HydrophobicContact CB-CE 3.97Å; F56-M531 HydrophobicContact CD1-CE 3.86Å; F56-M531 HydrophobicContact CD2-CE 3.87Å; F56-M531 HydrophobicContact CE1-CE 4.32Å; F56-M531 HydrophobicContact CE2-CE 4.28Å; F56-M531 HydrophobicContact CG-CE 3.65Å; L357-M531 HydrophobicContact CD1-CB 3.96Å; L357-M531 HydrophobicContact CD1-CE 4.02Å; L357-M531 HydrophobicContact CD2-CB 4.01Å; L357-M531 HydrophobicContact CD2-CG 4.16Å; L499-M531 HydrophobicContact CD1-CE 4.4Å; L499-M531 HydrophobicContact CD2-CE 4.29Å; W502-M531 HydrophobicContact CE3-CG 4.28Å; W502-M531 HydrophobicContact CH2-CG 3.87Å; W502-M531 HydrophobicContact CZ3-CG 3.41Å; W502-M531 VanDerWaalsContact CZ3-CG 3.41Å; W502-M531 HydrophobicContact CZ3-SD 4.09Å; M503-M531 HydrophobicContact CG-SD 4.18Å; M503-M531 HydrophobicContact SD-CE 4.37Å; M527-M531 HydrophobicContact CG-CG 4.44Å; M527-M531 HydrophobicContact CG-SD 3.85Å; M527-M531 WeakPolarHBondContact O-CB 3.36Å; M527-M531 VanDerWaalsContact O-CG 3.24Å; M527-M531 WeakPolarHBondContact O-CG 3.12Å; M527-M531 PolarHBondContact O-N 2.7Å; M527-M531 HydrophobicContact SD-SD 4.47Å; L528-M531 HydrophobicContact CD2-SD 4.29Å; L528-M531 PolarHBondContact O-N 3.04Å; N529-M531 VanDerWaalsContact C-N 3.35Å; M531-G533 VanDerWaalsContact C-N 3.34Å; M531-G533 PolarHBondContact O-N 2.69Å; M531-I534 PolarHBondContact O-N 2.86Å; M531-I534 VanDerWaalsContact O-N 3.17Å; M531-Q535 WeakPolarHBondContact O-CB 3.32Å; M531-Q535 PolarHBondContact O-N 2.86Å
532	H	95.5	Very high	95.9	Very high	49 Å²	49	46.5 Å²	46.5	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-41.2	176.4	179.9	68.7	0	0	0	111.6	M54 L528 N529 I534 Q535 T536	M54-H532 HydrophobicContact CE-CB 4.23Å; M54-H532 HydrophobicContact SD-CB 4.24Å; L528-H532 WeakPolarHBondContact O-CB 3.44Å; L528-H532 PolarHBondContact O-N 2.99Å; N529-H532 PolarHBondContact O-N 2.94Å; H532-I534 VanDerWaalsContact C-N 3.3Å; H532-I534 PolarHBondContact O-N 2.9Å; H532-Q535 PolarHBondContact O-N 3.28Å; H532-T536 WeakPolarHBondContact O-CG2 3.02Å; H532-T536 PolarHBondContact O-N 2.82Å; H532-T536 PolarHBondContact O-OG1 2.74Å
533	G	95.4	Very high	95.9	Very high	5 Å²	5	46.2 Å²	46.2	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-39.1	173	0	0	0	0	0	113	N529 R530 M531 T536 G537 T538 V539	N529-G533 PolarHBondContact O-N 3.42Å; R530-G533 PolarHBondContact O-N 2.95Å; M531-G533 VanDerWaalsContact C-N 3.34Å; M531-G533 PolarHBondContact O-N 2.69Å; G533-T536 PolarHBondContact O-OG1 3.13Å; G533-G537 PolarHBondContact O-N 2.91Å; G533-G537 VanDerWaalsContact O-N 3.11Å; G533-T538 VanDerWaalsContact CA-OG1 3.23Å; G533-T538 WeakPolarHBondContact CA-OG1 3.46Å; G533-T538 PolarHBondContact O-N 3.04Å; G533-T538 PolarHBondContact O-OG1 3.04Å; G533-T538 VanDerWaalsContact O-OG1 3.11Å; G533-V539 PolarHBondContact O-N 3.11Å
534	I	96	Very high	95.8	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-68.1	-45.9	176	-65.2	163.6	0	0	0	110.5	L357 T358 W502 R530 M531 H532 T536 G537 V539 C541 L544 L545	L357-I534 HydrophobicContact CD2-CB 3.87Å; L357-I534 HydrophobicContact CD2-CD1 4.5Å; L357-I534 HydrophobicContact CD2-CG2 3.75Å; T358-I534 HydrophobicContact CG2-CG2 4.48Å; W502-I534 HydrophobicContact CH2-CD1 4.1Å; W502-I534 HydrophobicContact CZ2-CD1 3.57Å; R530-I534 HydrophobicContact CG-CD1 4.32Å; R530-I534 VanDerWaalsContact O-CG1 3.32Å; R530-I534 WeakPolarHBondContact O-CG1 3.28Å; R530-I534 PolarHBondContact O-N 3.21Å; M531-I534 PolarHBondContact O-N 2.86Å; M531-I534 VanDerWaalsContact O-N 3.17Å; H532-I534 VanDerWaalsContact C-N 3.3Å; H532-I534 PolarHBondContact O-N 2.9Å; I534-T536 VanDerWaalsContact C-N 3.28Å; I534-T536 PolarHBondContact O-N 2.84Å; I534-G537 PolarHBondContact O-N 3.31Å; I534-G537 VanDerWaalsContact O-N 3.08Å; I534-V539 HydrophobicContact CG1-CB 4.08Å; I534-V539 HydrophobicContact CG1-CG1 3.67Å; I534-C541 HydrophobicContact CD1-CB 3.66Å; I534-C541 HydrophobicContact CG1-CB 3.78Å; I534-C541 HydrophobicContact CG2-CB 4.08Å; I534-L544 HydrophobicContact CD1-CD1 4.41Å; I534-L544 HydrophobicContact CG2-CD1 4.5Å; I534-L545 HydrophobicContact CG2-CD1 4.21Å
535	Q	94.2	Very high	95.7	Very high	19 Å²	19	46.4 Å²	46.4	9%	0.089	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-42.6	178.6	-178	-178.8	-86	0	0	112.2	R40 A53 S55 L357 M531 H532 G537	R40-Q535 VanDerWaalsContact NH1-NE2 3.17Å; A53-Q535 PolarHBondContact O-NE2 2.84Å; S55-Q535 PolarHBondContact OG-OE1 2.91Å; L357-Q535 HydrophobicContact CD1-CB 4.02Å; L357-Q535 HydrophobicContact CG-CB 4.17Å; L357-Q535 WeakPolarHBondContact O-CG 3.42Å; L357-Q535 PolarHBondContact O-OE1 3Å; M531-Q535 WeakPolarHBondContact O-CB 3.32Å; M531-Q535 PolarHBondContact O-N 2.86Å; H532-Q535 PolarHBondContact O-N 3.28Å; Q535-G537 VanDerWaalsContact C-N 3.33Å
536	T	91.6	Very high	95.5	Very high	68 Å²	68	44.2 Å²	44.2	42%	0.417	23%	0.232	S	C	.	.	H	α-helix	trans	-82.7	-8.9	180	54.9	0	0	0	0	113.5	H532 G533 I534 T538	H532-T536 WeakPolarHBondContact O-CG2 3.02Å; H532-T536 PolarHBondContact O-N 2.82Å; H532-T536 PolarHBondContact O-OG1 2.74Å; G533-T536 PolarHBondContact O-OG1 3.13Å; I534-T536 VanDerWaalsContact C-N 3.28Å; I534-T536 PolarHBondContact O-N 2.84Å; T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.37Å; T536-T538 PolarHBondContact OG1-OG1 2.98Å
537	G	90.6	Very high	95.1	Very high	26 Å²	26	47.4 Å²	47.4	27%	0.268	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	7.3	-177.9	0	0	0	0	0	114.8	G533 I534 Q535 V539	G533-G537 PolarHBondContact O-N 2.91Å; G533-G537 VanDerWaalsContact O-N 3.11Å; I534-G537 PolarHBondContact O-N 3.31Å; I534-G537 VanDerWaalsContact O-N 3.08Å; Q535-G537 VanDerWaalsContact C-N 3.33Å; G537-V539 VanDerWaalsContact C-N 3.27Å
538	T	92.4	Very high	94.7	Very high	115 Å²	115	47.6 Å²	47.6	71%	0.706	25%	0.246	S	C	*	.	S	Bend	trans	-72	-26.3	173.3	57.7	0	0	0	0	111.8	G533 T536	G533-T538 VanDerWaalsContact CA-OG1 3.23Å; G533-T538 WeakPolarHBondContact CA-OG1 3.46Å; G533-T538 PolarHBondContact O-N 3.04Å; G533-T538 PolarHBondContact O-OG1 3.04Å; G533-T538 VanDerWaalsContact O-OG1 3.11Å; T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.37Å; T536-T538 PolarHBondContact OG1-OG1 2.98Å
539	V	94.2	Very high	93.6	Very high	26 Å²	26	47 Å²	47	16%	0.158	24%	0.243	C	C	.	.	S	Bend	trans	-112.3	122.8	173.9	169.1	0	0	0	0	109.6	R530 G533 I534 G537	R530-V539 VanDerWaalsContact NH2-CG1 3.35Å; G533-V539 PolarHBondContact O-N 3.11Å; I534-V539 HydrophobicContact CG1-CB 4.08Å; I534-V539 HydrophobicContact CG1-CG1 3.67Å; G537-V539 VanDerWaalsContact C-N 3.27Å
540	K	93.9	Very high	91.8	Very high	119 Å²	119	45.4 Å²	45.4	52%	0.517	24%	0.238	S	C	.	.			trans	-75.7	134.4	168.5	-61.9	-175.4	-177.6	-177.6	0	110	C550	K540-C550 VanDerWaalsContact CE-SG 3.54Å; K540-C550 PolarHBondContact NZ-SG 3.17Å; K540-C550 VanDerWaalsContact NZ-SG 3.43Å
541	C	95.7	Very high	89.7	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.027	23%	0.228	C	C	.	.			trans	-130.4	107.3	172.1	178.6	0	0	0	0	109.6	W502 I534 E543 L545	W502-C541 PolarHBondContact NE1-SG 3.35Å; W502-C541 VanDerWaalsContact NE1-SG 3.4Å; I534-C541 HydrophobicContact CD1-CB 3.66Å; I534-C541 HydrophobicContact CG1-CB 3.78Å; I534-C541 HydrophobicContact CG2-CB 4.08Å; C541-E543 PolarHBondContact SG-OE2 3.24Å; C541-L545 WeakPolarHBondContact O-CB 3.33Å; C541-L545 PolarHBondContact O-N 3.49Å; C541-L545 VanDerWaalsContact O-N 3.15Å
542	H	95.9	Very high	87.1	Confident	115 Å²	115	45.3 Å²	45.3	53%	0.532	25%	0.253	S	S	.	.	H	α-helix	trans	-78.7	-25.7	-177.8	-68.4	-62.4	0	0	0	111.9	L496 G546 S549	L496-H542 WeakPolarHBondContact CD2-O 3.44Å; H542-G546 PolarHBondContact ND1-O 3.11Å; H542-G546 VanDerWaalsContact ND1-O 3.12Å; H542-G546 WeakPolarHBondContact O-CA 3.46Å; H542-G546 PolarHBondContact O-N 3.5Å; H542-S549 PolarHBondContact CE1-OG 3.32Å; H542-S549 PolarHBondContact ND1-OG 3.2Å
543	E	97.2	Very high	84.4	Confident	82 Å²	82	47.7 Å²	47.7	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-41.6	178.2	-57.4	80.8	-179	0	0	111.5	L496 W497 C541	L496-E543 CarbonylContact C-O 3.54Å; L496-E543 WeakPolarHBondContact CA-O 3.43Å; W497-E543 HydrophobicContact CD2-CB 3.83Å; W497-E543 HydrophobicContact CD2-CG 4.32Å; W497-E543 HydrophobicContact CE3-CB 3.76Å; W497-E543 HydrophobicContact CE3-CG 4.13Å; W497-E543 HydrophobicContact CG-CB 4.24Å; W497-E543 HydrophobicContact CH2-CG 4.11Å; W497-E543 HydrophobicContact CZ2-CG 4.27Å; W497-E543 HydrophobicContact CZ3-CB 4.16Å; W497-E543 HydrophobicContact CZ3-CG 4.01Å; W497-E543 PolarHBondContact N-O 3.01Å; C541-E543 PolarHBondContact SG-OE2 3.24Å
544	L	96.7	Very high	82.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-85.7	-41.6	179.3	-73	175.9	0	0	0	113.1	L357 L499 W502 I534	L357-L544 HydrophobicContact CD2-CD1 4.25Å; L499-L544 HydrophobicContact CD1-CD1 3.98Å; L499-L544 HydrophobicContact CD1-CD2 4.38Å; W502-L544 HydrophobicContact CB-CD1 4.29Å; W502-L544 HydrophobicContact CB-CD2 3.69Å; W502-L544 HydrophobicContact CB-CG 4.04Å; W502-L544 HydrophobicContact CD2-CD1 4.04Å; W502-L544 HydrophobicContact CG-CD1 3.82Å; W502-L544 HydrophobicContact CG-CD2 4.05Å; W502-L544 HydrophobicContact CG-CG 3.82Å; I534-L544 HydrophobicContact CD1-CD1 4.41Å; I534-L544 HydrophobicContact CG2-CD1 4.5Å
545	L	96.4	Very high	79.9	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-117.3	-13.8	-166.6	-58.4	173.2	0	0	0	113.5	T358 F360 E361 I534 C541 Q547 F548	T358-L545 HydrophobicContact CG2-CD1 4.12Å; T358-L545 HydrophobicContact CG2-CD2 4.32Å; F360-L545 HydrophobicContact CD1-CD2 4.4Å; E361-L545 HydrophobicContact CG-CD2 3.69Å; I534-L545 HydrophobicContact CG2-CD1 4.21Å; C541-L545 WeakPolarHBondContact O-CB 3.33Å; C541-L545 PolarHBondContact O-N 3.49Å; C541-L545 VanDerWaalsContact O-N 3.15Å; L545-Q547 PolarHBondContact O-N 3.33Å; L545-Q547 VanDerWaalsContact O-N 3.17Å; L545-F548 HydrophobicContact CB-CB 4.28Å; L545-F548 WeakPolarHBondContact O-CA 3.5Å; L545-F548 WeakPolarHBondContact O-CB 3.4Å; L545-F548 WeakPolarHBondContact O-CD2 3.29Å; L545-F548 WeakPolarHBondContact O-CG 3.38Å; L545-F548 PolarHBondContact O-N 3.2Å
546	G	93.2	Very high	77.2	Confident	16 Å²	16	58.2 Å²	58.2	17%	0.165	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	52.9	-121.2	-176.6	0	0	0	0	0	112.4	L496 H542 F548 S549	L496-G546 VanDerWaalsContact CD2-N 3.33Å; H542-G546 PolarHBondContact ND1-O 3.11Å; H542-G546 VanDerWaalsContact ND1-O 3.12Å; H542-G546 WeakPolarHBondContact O-CA 3.46Å; H542-G546 PolarHBondContact O-N 3.5Å; G546-F548 PolarHBondContact O-N 3.22Å; G546-S549 WeakPolarHBondContact O-CB 3.37Å; G546-S549 PolarHBondContact O-N 2.91Å; G546-S549 PolarHBondContact O-OG 3.36Å
547	Q	89.6	Confident	74.3	Confident	132 Å²	132	60.7 Å²	60.7	62%	0.617	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-69.8	-15.4	176.4	67.8	178.4	12.8	0	0	113.8	L545 S549	L545-Q547 PolarHBondContact O-N 3.33Å; L545-Q547 VanDerWaalsContact O-N 3.17Å; Q547-S549 VanDerWaalsContact C-N 3.28Å
548	F	88.8	Confident	71.9	Confident	3 Å²	3	65.3 Å²	65.3	1%	0.013	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-84.6	-3.4	-179.1	-45	-53.3	0	0	0	113	F360 Q483 K486 L487 L545 G546 C550 R554	F360-F548 HydrophobicContact CD1-CB 4.32Å; F360-F548 HydrophobicContact CE1-CB 3.77Å; F360-F548 AromaticContact CE1-CD2 3.73Å; F360-F548 HydrophobicContact CE1-CD2 3.73Å; F360-F548 HydrophobicContact CE1-CE2 4.43Å; F360-F548 AromaticContact CE1-CG 3.76Å; F360-F548 HydrophobicContact CE1-CG 3.76Å; F360-F548 HydrophobicContact CZ-CB 4.16Å; F360-F548 HydrophobicContact CZ-CD1 4.17Å; F360-F548 HydrophobicContact CZ-CD2 4.01Å; F360-F548 HydrophobicContact CZ-CE1 4.5Å; F360-F548 HydrophobicContact CZ-CE2 4.43Å; F360-F548 AromaticContact CZ-CG 3.85Å; F360-F548 HydrophobicContact CZ-CG 3.85Å; Q483-F548 HydrophobicContact CB-CE1 3.98Å; Q483-F548 HydrophobicContact CG-CE1 4.2Å; Q483-F548 WeakPolarHBondContact O-CZ 3.49Å; K486-F548 HydrophobicContact CB-CZ 3.95Å; K486-F548 HydrophobicContact CD-CZ 3.96Å; K486-F548 HydrophobicContact CG-CE2 4.37Å; K486-F548 HydrophobicContact CG-CZ 3.79Å; L487-F548 HydrophobicContact CB-CD2 4.39Å; L487-F548 HydrophobicContact CB-CE2 3.96Å; L487-F548 HydrophobicContact CD1-CD2 4.13Å; L487-F548 HydrophobicContact CD1-CE2 4.37Å; L545-F548 HydrophobicContact CB-CB 4.28Å; L545-F548 WeakPolarHBondContact O-CA 3.5Å; L545-F548 WeakPolarHBondContact O-CB 3.4Å; L545-F548 WeakPolarHBondContact O-CD2 3.29Å; L545-F548 WeakPolarHBondContact O-CG 3.38Å; L545-F548 PolarHBondContact O-N 3.2Å; G546-F548 PolarHBondContact O-N 3.22Å; F548-C550 PolarHBondContact O-N 3.07Å; F548-R554 VanDerWaalsContact CB-NH2 3.29Å
549	S	74.8	Confident	69.1	Low	7 Å²	7	69.7 Å²	69.7	5%	0.049	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-64.4	-16.7	179.6	56.1	0	0	0	0	114.8	H542 G546 Q547 T551	H542-S549 PolarHBondContact CE1-OG 3.32Å; H542-S549 PolarHBondContact ND1-OG 3.2Å; G546-S549 WeakPolarHBondContact O-CB 3.37Å; G546-S549 PolarHBondContact O-N 2.91Å; G546-S549 PolarHBondContact O-OG 3.36Å; Q547-S549 VanDerWaalsContact C-N 3.28Å; S549-T551 PolarHBondContact O-N 2.88Å
550	C	59.9	Low	65.9	Low	41 Å²	41	77.1 Å²	77.1	28%	0.277	40%	0.399	S	S	.	.			trans	-100.4	75	177.6	-138.9	0	0	0	0	109.8	K540 F548 S552	K540-C550 VanDerWaalsContact CE-SG 3.54Å; K540-C550 PolarHBondContact NZ-SG 3.17Å; K540-C550 VanDerWaalsContact NZ-SG 3.43Å; F548-C550 PolarHBondContact O-N 3.07Å; C550-S552 VanDerWaalsContact C-N 3.28Å; C550-S552 PolarHBondContact O-N 2.8Å
551	T	53.2	Low	62.8	Low	39 Å²	39	81.4 Å²	81.4	24%	0.239	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-20	179	47.3	0	0	0	0	113.1	S549 C553 R554	S549-T551 PolarHBondContact O-N 2.88Å; T551-C553 PolarHBondContact O-N 3.47Å; T551-R554 PolarHBondContact O-N 3.24Å; T551-R554 VanDerWaalsContact O-N 3.14Å
552	S	43.6	Very low	61.2	Low	75 Å²	75	85.3 Å²	85.3	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-56.5	-35.6	176.7	52.2	0	0	0	0	112.8	C550 R554 T556	C550-S552 VanDerWaalsContact C-N 3.28Å; C550-S552 PolarHBondContact O-N 2.8Å; S552-R554 VanDerWaalsContact C-N 3.33Å; S552-R554 PolarHBondContact O-N 2.8Å; S552-T556 WeakPolarHBondContact O-CG2 3.37Å; S552-T556 PolarHBondContact O-OG1 2.81Å
553	C	38.4	Very low	59.4	Low	99 Å²	99	83.7 Å²	83.7	67%	0.669	45%	0.45	S	S	*	.	H	α-helix	trans	-77.3	-11.1	-179.3	-70.2	0	0	0	0	115.1	T551	T551-C553 PolarHBondContact O-N 3.47Å
554	R	52	Low	57.3	Low	62 Å²	62	83.8 Å²	83.8	23%	0.234	45%	0.454	C	S	.	.	H	α-helix	trans	-85.5	-21.8	-175.4	-68	-169	-168.5	175	7.6	114.1	F548 T551 S552	F548-R554 VanDerWaalsContact CB-NH2 3.29Å; T551-R554 PolarHBondContact O-N 3.24Å; T551-R554 VanDerWaalsContact O-N 3.14Å; S552-R554 VanDerWaalsContact C-N 3.33Å; S552-R554 PolarHBondContact O-N 2.8Å
555	W	46.5	Very low	54.9	Low	81 Å²	81	88.7 Å²	88.7	31%	0.307	48%	0.481	S	S	.	.	H	α-helix	trans	-139.2	11.6	-169.8	-55.9	102.9	0	0	0	113.3	E33 C557 E558	E33-W555 PolarHBondContact OE1-NE1 2.9Å; W555-C557 PolarHBondContact O-N 2.84Å; W555-E558 PolarHBondContact O-N 3.29Å; W555-E558 VanDerWaalsContact O-N 3.11Å
556	T	36.1	Very low	52.3	Low	105 Å²	105	93.8 Å²	93.8	64%	0.644	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-3.7	176.3	25.5	0	0	0	0	115.1	S552	S552-T556 WeakPolarHBondContact O-CG2 3.37Å; S552-T556 PolarHBondContact O-OG1 2.81Å
557	C	32.3	Very low	49.6	Very low	120 Å²	120	99 Å²	99	81%	0.811	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.9	170.5	-76.4	0	0	0	0	114.9	W555	W555-C557 PolarHBondContact O-N 2.84Å
558	E	38.8	Very low	46.8	Very low	123 Å²	123	96.6 Å²	96.6	58%	0.575	53%	0.526	S	S	*	.	S	Bend	trans	-110.2	15	-171.1	-74.2	-177.3	168.4	0	0	115.8	W555 Q560	W555-E558 PolarHBondContact O-N 3.29Å; W555-E558 VanDerWaalsContact O-N 3.11Å; E558-Q560 VanDerWaalsContact C-N 3.25Å
559	K	33.3	Very low	43.5	Very low	208 Å²	208	103.8 Å²	103.8	90%	0.904	57%	0.565	S	S	*	*	S	Bend	trans	-89	15.3	164.3	-74.5	-166.5	177.3	-174.7	0	113.6
560	Q	27	Very low	40.9	Very low	182 Å²	182	111.9 Å²	111.9	85%	0.85	61%	0.608	S	S	*	*			trans	-135.2	65.6	174.6	-72	-171.7	-20.4	0	0	111	E558	E558-Q560 VanDerWaalsContact C-N 3.25Å
561	V	30	Very low	39.2	Very low	208 Å²	208	118.4 Å²	118.4	100%	1.261	64%	0.638	S	S	*	*			trans	-140.2	0	152.8	-175.6	0	0	0	0	108.5

Retrieved 561 of 561 residues in 448.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).