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rRNA adenine N(6)-methyltransferase

Specifically dimethylates two adjacent adenosines in the loop of a conserved hairpin near the 3'-end of 18S rRNA in the 40S particle. Involved in the pre-rRNA processing steps leading to small-subunit rRNA production independently of its RNA-modifying catalytic activity. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession G4LXG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	38.1	Very low	244 Å²	244	150.7 Å²	150.7	100%	1.202	81%	0.805	S	S	*	*				0	93.1	0	-151.8	177.5	-167.7	0	0	108.1
2	V	40.6	Very low	38.4	Very low	147 Å²	147	145.7 Å²	145.7	89%	0.891	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.2	117.7	-176.5	179.1	0	0	0	0	108
3	K	36.7	Very low	39.3	Very low	186 Å²	186	137.5 Å²	137.5	81%	0.809	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.2	136.4	174.3	-77.4	-175.7	176.8	178.4	0	109.5	K5	K3-K5 PolarHBondContact O-N 3.33Å
4	P	40.3	Very low	40.3	Very low	119 Å²	119	139.9 Å²	139.9	77%	0.773	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-64	129	-179.2	9	-6.4	0	0	0	110.5	F6	P4-F6 PolarHBondContact O-N 3.09Å
5	K	38.4	Very low	41.2	Very low	204 Å²	204	133.5 Å²	133.5	89%	0.887	72%	0.721	S	S	*	*			trans	-64	112.5	167.1	-80.6	178.1	174.2	174.5	0	107.5	K3 D7	K3-K5 PolarHBondContact O-N 3.33Å; K5-D7 PolarHBondContact O-N 3.2Å; K5-D7 VanDerWaalsContact O-N 3.09Å
6	F	36.3	Very low	42.1	Very low	206 Å²	206	127.8 Å²	127.8	90%	0.904	70%	0.703	S	S	*	*			trans	-61.4	110.9	166.8	-114.3	-94.9	0	0	0	107.7	P4 S8	P4-F6 PolarHBondContact O-N 3.09Å; F6-S8 PolarHBondContact O-N 3.1Å
7	D	34.4	Very low	43.4	Very low	122 Å²	122	124.7 Å²	124.7	65%	0.652	71%	0.707	S	S	*	*			trans	-64	114.4	173.3	-177.4	16.5	0	0	0	108.6	K5 S9	K5-D7 PolarHBondContact O-N 3.2Å; K5-D7 VanDerWaalsContact O-N 3.09Å; D7-S9 VanDerWaalsContact CG-OG 3.24Å; D7-S9 PolarHBondContact O-N 3.18Å; D7-S9 VanDerWaalsContact O-N 3.1Å; D7-S9 PolarHBondContact OD1-N 2.77Å; D7-S9 PolarHBondContact OD2-OG 3.38Å
8	S	35.7	Very low	44.8	Very low	108 Å²	108	119.3 Å²	119.3	76%	0.755	68%	0.676	S	S	*	*			trans	-79.2	25	-179.5	59	0	0	0	0	112.7	F6 S10	F6-S8 PolarHBondContact O-N 3.1Å; S8-S10 PolarHBondContact O-N 3.42Å; S8-S10 PolarHBondContact O-OG 2.81Å
9	S	33.9	Very low	46.2	Very low	87 Å²	87	124.8 Å²	124.8	61%	0.608	69%	0.685	S	S	*	*			trans	-68.2	39.2	161.7	61.7	0	0	0	0	111.5	D7 L11	D7-S9 VanDerWaalsContact CG-OG 3.24Å; D7-S9 PolarHBondContact O-N 3.18Å; D7-S9 VanDerWaalsContact O-N 3.1Å; D7-S9 PolarHBondContact OD1-N 2.77Å; D7-S9 PolarHBondContact OD2-OG 3.38Å; S9-L11 PolarHBondContact O-N 3.07Å; S9-L11 VanDerWaalsContact O-N 3.07Å
10	S	38.6	Very low	47.4	Very low	79 Å²	79	120.4 Å²	120.4	55%	0.552	66%	0.658	S	S	*	*			trans	-58.7	112.8	165.5	58.8	0	0	0	0	107.9	S8 A12	S8-S10 PolarHBondContact O-N 3.42Å; S8-S10 PolarHBondContact O-OG 2.81Å; S10-A12 PolarHBondContact O-N 2.9Å
11	L	39.6	Very low	48.5	Very low	156 Å²	156	117.5 Å²	117.5	82%	0.817	64%	0.641	S	S	*	*			trans	-23.4	100	173.8	-81.8	112.8	0	0	0	112.2	S9 I13	S9-L11 PolarHBondContact O-N 3.07Å; S9-L11 VanDerWaalsContact O-N 3.07Å; L11-I13 PolarHBondContact O-N 3.36Å
12	A	41.3	Very low	49.3	Very low	90 Å²	90	113.7 Å²	113.7	74%	0.744	62%	0.617	S	S	*	*			trans	-56.4	116.1	172.8	0	0	0	0	0	107.9	S10 K14	S10-A12 PolarHBondContact O-N 2.9Å; A12-K14 PolarHBondContact O-N 3.38Å
13	I	50.2	Low	50.3	Low	40 Å²	40	112.4 Å²	112.4	21%	0.205	61%	0.61	C	S	.	*			trans	-62.4	106.6	-179.6	-77.3	175.5	0	0	0	108.7	L11 T15 K30 N59	L11-I13 PolarHBondContact O-N 3.36Å; I13-T15 PolarHBondContact O-N 3.01Å; I13-K30 VanDerWaalsContact CD1-C 3.43Å; I13-K30 HydrophobicContact CD1-CB 4.22Å; I13-K30 WeakPolarHBondContact CD1-O 3.21Å; I13-K30 HydrophobicContact CG2-CB 4.42Å; I13-N59 WeakPolarHBondContact CG2-ND2 3.38Å; I13-N59 VanDerWaalsContact CG2-OD1 3.25Å; I13-N59 WeakPolarHBondContact CG2-OD1 3.25Å
14	K	53.5	Low	51.8	Low	170 Å²	170	109.3 Å²	109.3	74%	0.739	60%	0.597	S	S	*	*			trans	-70.8	118.5	180	-68.4	-174.5	178	-178.4	0	109.4	A12 G16	A12-K14 PolarHBondContact O-N 3.38Å; K14-G16 VanDerWaalsContact C-N 3.27Å
15	T	53.1	Low	53.3	Low	44 Å²	44	105 Å²	105	27%	0.27	57%	0.573	S	S	.	*			trans	-88.4	10	169.3	54.5	0	0	0	0	112.9	I13 G17 I18 F20	I13-T15 PolarHBondContact O-N 3.01Å; T15-G17 PolarHBondContact O-N 3.18Å; T15-I18 PolarHBondContact O-N 2.96Å; T15-F20 HydrophobicContact CG2-CE2 3.93Å; T15-F20 HydrophobicContact CG2-CZ 3.85Å
16	G	56.5	Low	55.4	Low	43 Å²	43	96.7 Å²	96.7	44%	0.443	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	13.8	174.5	0	0	0	0	0	115.8	K14 I18 E83	K14-G16 VanDerWaalsContact C-N 3.27Å; G16-I18 PolarHBondContact O-N 2.94Å; G16-E83 WeakPolarHBondContact CA-OE2 3.13Å
17	G	63.1	Low	57.7	Low	75 Å²	75	89.3 Å²	89.3	77%	0.773	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	5.3	-170.9	0	0	0	0	0	115.4	T15 R19	T15-G17 PolarHBondContact O-N 3.18Å; G17-R19 PolarHBondContact O-N 3.04Å
18	I	68.9	Low	60.2	Low	27 Å²	27	84.4 Å²	84.4	14%	0.138	48%	0.479	C	S	.	.			trans	-66.2	128	178.7	-65.3	-176.3	0	0	0	110.8	T15 G16 F20 R79 M80 E83	T15-I18 PolarHBondContact O-N 2.96Å; G16-I18 PolarHBondContact O-N 2.94Å; I18-F20 PolarHBondContact O-N 2.86Å; I18-R79 HydrophobicContact CD1-CB 4.38Å; I18-R79 WeakPolarHBondContact CD1-O 3.26Å; I18-M80 HydrophobicContact CD1-CE 4.38Å; I18-M80 HydrophobicContact CD1-SD 3.74Å; I18-M80 HydrophobicContact CG2-CE 3.66Å; I18-M80 HydrophobicContact CG2-SD 4.34Å; I18-E83 HydrophobicContact CD1-CB 4.09Å; I18-E83 HydrophobicContact CD1-CG 3.25Å; I18-E83 HydrophobicContact CG1-CG 3.81Å
19	R	71	Confident	62.8	Low	224 Å²	224	79.6 Å²	79.6	85%	0.845	45%	0.445	S	S	*	.			trans	-75.3	110	169	-169.2	176	-175.7	-175.7	2	110.6	G17	G17-R19 PolarHBondContact O-N 3.04Å
20	F	71.4	Confident	65.5	Low	36 Å²	36	79.9 Å²	79.9	16%	0.158	44%	0.436	C	S	.	.			trans	-65.1	133.7	176	-63.2	-61.5	0	0	0	112.3	T15 I18 K22 Q26 I28 M80	T15-F20 HydrophobicContact CG2-CE2 3.93Å; T15-F20 HydrophobicContact CG2-CZ 3.85Å; I18-F20 PolarHBondContact O-N 2.86Å; F20-K22 PolarHBondContact O-N 3.16Å; F20-Q26 HydrophobicContact CB-CB 4.41Å; F20-Q26 HydrophobicContact CD1-CB 4.25Å; F20-I28 HydrophobicContact CD1-CD1 4.39Å; F20-I28 HydrophobicContact CD1-CG1 4.27Å; F20-I28 HydrophobicContact CE1-CD1 3.24Å; F20-I28 HydrophobicContact CE1-CG1 3.49Å; F20-I28 VanDerWaalsContact CE1-CG1 3.49Å; F20-I28 HydrophobicContact CE2-CD1 4.48Å; F20-I28 HydrophobicContact CZ-CB 4.4Å; F20-I28 HydrophobicContact CZ-CD1 3.31Å; F20-I28 HydrophobicContact CZ-CG1 3.65Å; F20-M80 HydrophobicContact CD1-CE 3.74Å; F20-M80 HydrophobicContact CE1-CE 3.62Å; F20-M80 HydrophobicContact CE1-SD 4.44Å
21	Q	70.8	Confident	68	Low	61 Å²	61	78.4 Å²	78.4	29%	0.285	42%	0.421	S	S	.	.			trans	-90.9	97.3	174.2	-68.9	176.6	-1.8	0	0	108.8	T23 K24	Q21-T23 PolarHBondContact O-N 2.9Å; Q21-K24 HydrophobicContact CB-CB 4.17Å; Q21-K24 HydrophobicContact CB-CD 4.32Å; Q21-K24 HydrophobicContact CB-CG 4.08Å; Q21-K24 PolarHBondContact O-N 3.27Å
22	K	61.4	Low	70.5	Confident	163 Å²	163	73.4 Å²	73.4	71%	0.709	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34	175.5	-67.1	-175.3	-178.1	178	0	112	F20 K24 G25 P189	F20-K22 PolarHBondContact O-N 3.16Å; K22-K24 PolarHBondContact O-N 3.37Å; K22-G25 PolarHBondContact O-N 2.76Å; K22-P189 HydrophobicContact CG-CG 4.28Å
23	T	61.7	Low	73.1	Confident	121 Å²	121	75 Å²	75	74%	0.742	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-61.2	-30.4	176.8	51.6	0	0	0	0	113	Q21 G25	Q21-T23 PolarHBondContact O-N 2.9Å; T23-G25 VanDerWaalsContact C-N 3.29Å
24	K	68.9	Low	75.3	Confident	121 Å²	121	73.6 Å²	73.6	53%	0.526	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-84.1	0.1	174	-66.3	-168.4	178.4	164.5	0	113.5	Q21 K22 Q26	Q21-K24 HydrophobicContact CB-CB 4.17Å; Q21-K24 HydrophobicContact CB-CD 4.32Å; Q21-K24 HydrophobicContact CB-CG 4.08Å; Q21-K24 PolarHBondContact O-N 3.27Å; K22-K24 PolarHBondContact O-N 3.37Å; K24-Q26 VanDerWaalsContact C-N 3.32Å; K24-Q26 HydrophobicContact CB-CG 4.16Å
25	G	70.9	Confident	77.3	Confident	28 Å²	28	65.8 Å²	65.8	29%	0.289	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	26.2	-178.8	0	0	0	0	0	113.6	K22 T23 H27	K22-G25 PolarHBondContact O-N 2.76Å; T23-G25 VanDerWaalsContact C-N 3.29Å; G25-H27 PolarHBondContact O-CD2 2.98Å; G25-H27 VanDerWaalsContact O-CD2 3.24Å; G25-H27 PolarHBondContact O-N 3.35Å
26	Q	81.8	Confident	79.4	Confident	30 Å²	30	67.2 Å²	67.2	14%	0.14	36%	0.359	C	S	.	.			trans	-73.5	112.4	-178.7	-70.8	178.7	-25.3	0	0	110.9	F20 K24 D77	F20-Q26 HydrophobicContact CB-CB 4.41Å; F20-Q26 HydrophobicContact CD1-CB 4.25Å; K24-Q26 VanDerWaalsContact C-N 3.32Å; K24-Q26 HydrophobicContact CB-CG 4.16Å; Q26-D77 PolarHBondContact NE2-OD2 2.88Å
27	H	85.1	Confident	81.3	Confident	51 Å²	51	67.2 Å²	67.2	24%	0.236	35%	0.351	C	S	.	.			trans	-128.5	109.5	174.2	-62.2	-72.9	0	0	0	109.1	G25 F187 P189	G25-H27 PolarHBondContact O-CD2 2.98Å; G25-H27 VanDerWaalsContact O-CD2 3.24Å; G25-H27 PolarHBondContact O-N 3.35Å; H27-F187 HydrophobicContact CB-CB 4.39Å; H27-F187 HydrophobicContact CB-CD1 4.23Å; H27-P189 PolarHBondContact ND1-O 2.99Å
28	I	86.5	Confident	82.9	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.092	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123	179	-67.1	-151.8	0	0	0	110	F20 K30 T57 N59 F187 R188	F20-I28 HydrophobicContact CD1-CD1 4.39Å; F20-I28 HydrophobicContact CD1-CG1 4.27Å; F20-I28 HydrophobicContact CE1-CD1 3.24Å; F20-I28 HydrophobicContact CE1-CG1 3.49Å; F20-I28 VanDerWaalsContact CE1-CG1 3.49Å; F20-I28 HydrophobicContact CE2-CD1 4.48Å; F20-I28 HydrophobicContact CZ-CB 4.4Å; F20-I28 HydrophobicContact CZ-CD1 3.31Å; F20-I28 HydrophobicContact CZ-CG1 3.65Å; I28-K30 PolarHBondContact O-N 3.01Å; I28-T57 HydrophobicContact CD1-CG2 3.95Å; I28-T57 WeakPolarHBondContact CD1-OG1 3.35Å; I28-N59 WeakPolarHBondContact CG2-ND2 3.28Å; I28-F187 CarbonylContact O-C 3.44Å; I28-F187 WeakPolarHBondContact O-CA 3.42Å; I28-R188 PolarHBondContact N-O 3.16Å; I28-R188 PolarHBondContact O-N 3.34Å
29	L	91	Very high	84.2	Confident	7 Å²	7	63 Å²	63	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	115.9	166.2	-179.9	65.1	0	0	0	109.1	V34 I35 N59 M145 F187	L29-V34 HydrophobicContact CD1-CB 4.23Å; L29-V34 HydrophobicContact CD1-CG1 3.89Å; L29-V34 HydrophobicContact CD2-CG1 4.08Å; L29-I35 HydrophobicContact CD2-CD1 4.36Å; L29-I35 HydrophobicContact CD2-CG1 3.57Å; L29-I35 HydrophobicContact CG-CD1 4.37Å; L29-I35 HydrophobicContact CG-CG1 4Å; L29-N59 PolarHBondContact O-ND2 3.32Å; L29-M145 HydrophobicContact CD1-CE 4.24Å; L29-M145 HydrophobicContact CD1-SD 4.45Å; L29-M145 HydrophobicContact CD2-CE 3.64Å; L29-M145 HydrophobicContact CD2-SD 4.4Å; L29-F187 HydrophobicContact CB-CD1 4.11Å; L29-F187 HydrophobicContact CB-CE1 4.07Å; L29-F187 HydrophobicContact CD1-CD1 4.33Å; L29-F187 HydrophobicContact CD1-CE1 4.04Å; L29-F187 HydrophobicContact CD1-CZ 4.22Å
30	K	89.4	Confident	85.5	Confident	94 Å²	94	59.5 Å²	59.5	41%	0.409	30%	0.304	S	S	.	.			trans	-115.8	1.7	-176.7	64	155.7	-179.7	171.3	0	113.8	I13 I28 P32 N185 S186 R188	I13-K30 VanDerWaalsContact CD1-C 3.43Å; I13-K30 HydrophobicContact CD1-CB 4.22Å; I13-K30 WeakPolarHBondContact CD1-O 3.21Å; I13-K30 HydrophobicContact CG2-CB 4.42Å; I28-K30 PolarHBondContact O-N 3.01Å; K30-P32 VanDerWaalsContact O-CD 3.25Å; K30-P32 WeakPolarHBondContact O-CD 3.21Å; K30-N185 VanDerWaalsContact CE-O 3.28Å; K30-N185 WeakPolarHBondContact CE-O 3.4Å; K30-S186 WeakPolarHBondContact CG-O 3.25Å; K30-S186 PolarHBondContact N-O 3.39Å; K30-R188 HydrophobicContact CD-CB 4.12Å; K30-R188 HydrophobicContact CG-CB 4.45Å
31	N	92.2	Very high	86.7	Confident	47 Å²	47	62.5 Å²	62.5	25%	0.251	32%	0.317	S	S	.	.			trans	-90.2	108.3	180	-172.7	-23.3	0	0	0	109.3	L33 V34 I35 S186	N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 3.45Å; N31-L33 WeakPolarHBondContact OD1-CB 3.45Å; N31-L33 PolarHBondContact OD1-N 3.34Å; N31-V34 HydrophobicContact CB-CB 4.1Å; N31-V34 HydrophobicContact CB-CG2 3.85Å; N31-V34 PolarHBondContact O-N 2.9Å; N31-I35 PolarHBondContact O-N 3.34Å; N31-S186 PolarHBondContact N-O 3.23Å
32	P	92.9	Very high	88	Confident	51 Å²	51	59.6 Å²	59.6	33%	0.331	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-30.5	-178.2	26.3	-34.5	0	0	0	112.5	K30 I35 N36	K30-P32 VanDerWaalsContact O-CD 3.25Å; K30-P32 WeakPolarHBondContact O-CD 3.21Å; P32-I35 PolarHBondContact O-N 2.9Å; P32-N36 WeakPolarHBondContact O-CB 3.45Å; P32-N36 PolarHBondContact O-N 2.88Å; P32-N36 PolarHBondContact O-ND2 2.97Å
33	L	94.9	Very high	89.7	Confident	123 Å²	123	53.8 Å²	53.8	64%	0.644	29%	0.291	S	S	*	.	H	α-helix	trans	-63.9	-43.5	176.6	-61.8	175.5	0	0	0	110.9	N31 I35 N36 T37	N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 3.45Å; N31-L33 WeakPolarHBondContact OD1-CB 3.45Å; N31-L33 PolarHBondContact OD1-N 3.34Å; L33-I35 VanDerWaalsContact C-N 3.34Å; L33-I35 PolarHBondContact O-N 3.34Å; L33-N36 PolarHBondContact O-N 3.05Å; L33-T37 WeakPolarHBondContact O-CB 3.45Å; L33-T37 PolarHBondContact O-N 3.37Å; L33-T37 PolarHBondContact O-OG1 3.23Å
34	V	95.7	Very high	91.5	Very high	11 Å²	11	49.6 Å²	49.6	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-43.2	177.2	173.2	0	0	0	0	111.2	L29 N31 M38 M145 M180 I182	L29-V34 HydrophobicContact CD1-CB 4.23Å; L29-V34 HydrophobicContact CD1-CG1 3.89Å; L29-V34 HydrophobicContact CD2-CG1 4.08Å; N31-V34 HydrophobicContact CB-CB 4.1Å; N31-V34 HydrophobicContact CB-CG2 3.85Å; N31-V34 PolarHBondContact O-N 2.9Å; V34-M38 VanDerWaalsContact O-CB 3.26Å; V34-M38 WeakPolarHBondContact O-CB 3.39Å; V34-M38 PolarHBondContact O-N 3.17Å; V34-M145 HydrophobicContact CG1-CE 3.66Å; V34-M180 HydrophobicContact CG1-CE 4.34Å; V34-M180 HydrophobicContact CG2-CE 4.43Å; V34-I182 HydrophobicContact CB-CD1 4.41Å; V34-I182 HydrophobicContact CG1-CD1 3.5Å; V34-I182 HydrophobicContact CG1-CG1 4.14Å; V34-I182 HydrophobicContact CG1-CG2 4.13Å; V34-I182 HydrophobicContact CG2-CD1 4.06Å; V34-I182 HydrophobicContact CG2-CG2 4.17Å
35	I	95.9	Very high	92.9	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-49	177.9	-65	168.2	0	0	0	110	L29 N31 P32 L33 T37 M38 V39 N59 L60 K63	L29-I35 HydrophobicContact CD2-CD1 4.36Å; L29-I35 HydrophobicContact CD2-CG1 3.57Å; L29-I35 HydrophobicContact CG-CD1 4.37Å; L29-I35 HydrophobicContact CG-CG1 4Å; N31-I35 PolarHBondContact O-N 3.34Å; P32-I35 PolarHBondContact O-N 2.9Å; L33-I35 VanDerWaalsContact C-N 3.34Å; L33-I35 PolarHBondContact O-N 3.34Å; I35-T37 PolarHBondContact O-N 2.8Å; I35-M38 PolarHBondContact O-N 3.13Å; I35-V39 HydrophobicContact CG2-CG2 4.44Å; I35-V39 WeakPolarHBondContact O-CG2 3.41Å; I35-V39 PolarHBondContact O-N 3.14Å; I35-N59 HydrophobicContact CD1-CB 3.83Å; I35-L60 HydrophobicContact CG2-CD1 4.1Å; I35-K63 HydrophobicContact CG2-CB 4.19Å; I35-K63 HydrophobicContact CG2-CG 3.83Å
36	N	96.7	Very high	94.1	Very high	74 Å²	74	52.8 Å²	52.8	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-47	-179	-69.6	-15.2	0	0	0	111.4	P32 L33 M38 V39 E40	P32-N36 WeakPolarHBondContact O-CB 3.45Å; P32-N36 PolarHBondContact O-N 2.88Å; P32-N36 PolarHBondContact O-ND2 2.97Å; L33-N36 PolarHBondContact O-N 3.05Å; N36-M38 VanDerWaalsContact C-N 3.33Å; N36-M38 PolarHBondContact O-N 3.33Å; N36-V39 PolarHBondContact O-N 3Å; N36-E40 WeakPolarHBondContact O-CB 3.19Å; N36-E40 PolarHBondContact O-N 3.24Å
37	T	96.9	Very high	94.9	Very high	43 Å²	43	55.8 Å²	55.8	26%	0.264	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-37.7	177.1	-56.6	0	0	0	0	112	L33 I35 E40 K41 M180	L33-T37 WeakPolarHBondContact O-CB 3.45Å; L33-T37 PolarHBondContact O-N 3.37Å; L33-T37 PolarHBondContact O-OG1 3.23Å; I35-T37 PolarHBondContact O-N 2.8Å; T37-E40 PolarHBondContact O-N 2.88Å; T37-K41 HydrophobicContact CG2-CD 4.12Å; T37-K41 HydrophobicContact CG2-CG 4.22Å; T37-K41 WeakPolarHBondContact O-CB 3.38Å; T37-K41 WeakPolarHBondContact O-CG 3.43Å; T37-K41 PolarHBondContact O-N 2.72Å; T37-M180 HydrophobicContact CG2-CE 4.04Å; T37-M180 HydrophobicContact CG2-SD 3.63Å
38	M	96.4	Very high	95.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-44.1	176.3	-176.2	-178	-179.6	0	0	111.6	V34 I35 N36 S42 I117 A118 V143 M145 V197	V34-M38 VanDerWaalsContact O-CB 3.26Å; V34-M38 WeakPolarHBondContact O-CB 3.39Å; V34-M38 PolarHBondContact O-N 3.17Å; I35-M38 PolarHBondContact O-N 3.13Å; N36-M38 VanDerWaalsContact C-N 3.33Å; N36-M38 PolarHBondContact O-N 3.33Å; M38-S42 WeakPolarHBondContact O-CB 3.17Å; M38-S42 PolarHBondContact O-N 2.91Å; M38-I117 HydrophobicContact CE-CG2 3.56Å; M38-I117 HydrophobicContact CG-CG2 4.23Å; M38-I117 HydrophobicContact SD-CG2 4.28Å; M38-A118 WeakPolarHBondContact CE-O 3.48Å; M38-V143 HydrophobicContact CE-CG1 4.28Å; M38-V143 WeakPolarHBondContact CE-O 3.49Å; M38-V143 HydrophobicContact CG-CG1 4.08Å; M38-M145 HydrophobicContact SD-CE 4.25Å; M38-V197 HydrophobicContact CG-CG1 4.26Å
39	V	97.6	Very high	96.1	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-44.4	176.4	170	0	0	0	0	110.7	I35 N36 S42 I44 L60 K63 L64 K67	I35-V39 HydrophobicContact CG2-CG2 4.44Å; I35-V39 WeakPolarHBondContact O-CG2 3.41Å; I35-V39 PolarHBondContact O-N 3.14Å; N36-V39 PolarHBondContact O-N 3Å; V39-S42 PolarHBondContact O-N 2.92Å; V39-S42 PolarHBondContact O-OG 2.87Å; V39-I44 HydrophobicContact CG1-CD1 4.1Å; V39-L60 HydrophobicContact CG2-CD1 3.74Å; V39-K63 HydrophobicContact CG2-CB 3.98Å; V39-L64 HydrophobicContact CG2-CD2 4.1Å; V39-K67 HydrophobicContact CG1-CG 3.99Å
40	E	97.2	Very high	96.5	Very high	149 Å²	149	53.6 Å²	53.6	70%	0.696	29%	0.294	S	S	*	.	H	α-helix	trans	-60.2	-54.5	176.1	-177.7	-177.5	-174.2	0	0	111.8	N36 T37 S42 G43	N36-E40 WeakPolarHBondContact O-CB 3.19Å; N36-E40 PolarHBondContact O-N 3.24Å; T37-E40 PolarHBondContact O-N 2.88Å; E40-S42 PolarHBondContact O-N 2.83Å; E40-S42 VanDerWaalsContact O-N 3.12Å; E40-G43 PolarHBondContact O-N 3.37Å; E40-G43 VanDerWaalsContact O-N 3.14Å
41	K	97.6	Very high	96.9	Very high	99 Å²	99	49.1 Å²	49.1	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-13.8	-179.9	-69	-168.1	177.8	-156.1	0	114	T37 G43 L179	T37-K41 HydrophobicContact CG2-CD 4.12Å; T37-K41 HydrophobicContact CG2-CG 4.22Å; T37-K41 WeakPolarHBondContact O-CB 3.38Å; T37-K41 WeakPolarHBondContact O-CG 3.43Å; T37-K41 PolarHBondContact O-N 2.72Å; K41-G43 VanDerWaalsContact C-N 3.27Å; K41-L179 HydrophobicContact CB-CD1 4.06Å; K41-L179 HydrophobicContact CD-CB 4.1Å; K41-L179 HydrophobicContact CD-CD1 4.49Å; K41-L179 PolarHBondContact NZ-O 3.18Å
42	S	97.6	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-72	-23.1	175.3	72.5	0	0	0	0	113.3	M38 V39 E40 I44 R199	M38-S42 WeakPolarHBondContact O-CB 3.17Å; M38-S42 PolarHBondContact O-N 2.91Å; V39-S42 PolarHBondContact O-N 2.92Å; V39-S42 PolarHBondContact O-OG 2.87Å; E40-S42 PolarHBondContact O-N 2.83Å; E40-S42 VanDerWaalsContact O-N 3.12Å; S42-I44 WeakPolarHBondContact OG-CD1 3.41Å; S42-I44 VanDerWaalsContact OG-CG1 3.24Å; S42-I44 WeakPolarHBondContact OG-CG1 3.14Å; S42-R199 PolarHBondContact O-NH1 3.17Å
43	G	97.2	Very high	97.4	Very high	42 Å²	42	44.8 Å²	44.8	43%	0.433	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	43.3	179.4	0	0	0	0	0	112.5	E40 K41 R140	E40-G43 PolarHBondContact O-N 3.37Å; E40-G43 VanDerWaalsContact O-N 3.14Å; K41-G43 VanDerWaalsContact C-N 3.27Å; G43-R140 PolarHBondContact O-NH2 3.24Å
44	I	98.4	Very high	97.3	Very high	33 Å²	33	40 Å²	40	17%	0.169	23%	0.23	C	C	.	.			trans	-65.3	133.4	176.7	-69.3	155.6	0	0	0	110.3	V39 S42 L50 L64 K67 L115 I117	V39-I44 HydrophobicContact CG1-CD1 4.1Å; S42-I44 WeakPolarHBondContact OG-CD1 3.41Å; S42-I44 VanDerWaalsContact OG-CG1 3.24Å; S42-I44 WeakPolarHBondContact OG-CG1 3.14Å; I44-L50 HydrophobicContact CD1-CD1 4.02Å; I44-L50 HydrophobicContact CG1-CD1 4.27Å; I44-L50 HydrophobicContact CG1-CD2 3.97Å; I44-L50 HydrophobicContact CG2-CD1 4.14Å; I44-L50 HydrophobicContact CG2-CD2 4.21Å; I44-L64 HydrophobicContact CD1-CD2 3.74Å; I44-K67 HydrophobicContact CB-CB 4.32Å; I44-K67 HydrophobicContact CD1-CB 4.41Å; I44-K67 HydrophobicContact CG2-CB 3.72Å; I44-L115 HydrophobicContact CB-CD1 4.28Å; I44-L115 HydrophobicContact CG1-CD1 3.62Å; I44-I117 HydrophobicContact CD1-CD1 4.12Å; I44-I117 HydrophobicContact CD1-CG1 4.48Å; I44-I117 HydrophobicContact CG1-CD1 4.23Å
45	K	98.3	Very high	97.2	Very high	117 Å²	117	39.8 Å²	39.8	51%	0.509	23%	0.228	S	C	.	.			trans	-99.4	152.7	168.5	-55.7	-179.8	-179.3	-177.1	0	109.6	T47 D48	K45-T47 PolarHBondContact O-N 3.48Å; K45-T47 VanDerWaalsContact O-N 3.11Å; K45-D48 PolarHBondContact N-OD2 3.07Å; K45-D48 WeakPolarHBondContact O-CB 3.49Å; K45-D48 PolarHBondContact O-N 3.44Å
46	S	97.4	Very high	97.1	Very high	99 Å²	99	40.1 Å²	40.1	69%	0.692	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.1	178.4	55.2	0	0	0	0	113.9	K67 R69	S46-K67 WeakPolarHBondContact CA-O 3.3Å; S46-R69 WeakPolarHBondContact O-CB 3.29Å; S46-R69 PolarHBondContact O-N 3.13Å
47	T	97.9	Very high	96.9	Very high	92 Å²	92	36.9 Å²	36.9	56%	0.564	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.3	177.8	53.7	0	0	0	0	113.9	K45	K45-T47 PolarHBondContact O-N 3.48Å; K45-T47 VanDerWaalsContact O-N 3.11Å
48	D	98.6	Very high	96.7	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	20%	0.204	C	C	.	.			trans	-70.2	138.7	-170.9	-70	-24.3	0	0	0	111.7	K45 L50 R69 D114 R140	K45-D48 PolarHBondContact N-OD2 3.07Å; K45-D48 WeakPolarHBondContact O-CB 3.49Å; K45-D48 PolarHBondContact O-N 3.44Å; D48-L50 HydrophobicContact CB-CD2 3.75Å; D48-R69 WeakPolarHBondContact O-CB 3.24Å; D48-R69 PolarHBondContact O-N 2.91Å; D48-D114 WeakPolarHBondContact CA-OD2 3.2Å; D48-D114 HydrophobicContact CB-CB 3.96Å; D48-R140 IonicContact OD1-CZ 2.71Å; D48-R140 IonicContact OD1-NH1 3.51Å; D48-R140 PolarHBondContact OD1-NH1 2.8Å; D48-R140 IonicContact OD1-NH2 2.76Å; D48-R140 IonicContact OD2-CZ 3.84Å; D48-R140 IonicContact OD2-NH1 2.76Å; D48-R140 PolarHBondContact OD2-NH1 2.82Å; D48-R140 IonicContact OD2-NH2 2.95Å; D48-R140 PolarHBondContact OD2-NH2 3.13Å
49	S	98.5	Very high	96.6	Very high	26 Å²	26	35.4 Å²	35.4	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.6	161.7	-59.1	0	0	0	0	109.2	F113 D114 L115	S49-F113 CarbonylContact O-C 3.42Å; S49-F113 WeakPolarHBondContact O-CA 3.26Å; S49-D114 PolarHBondContact N-OD2 3.08Å; S49-D114 PolarHBondContact O-N 3.4Å; S49-L115 PolarHBondContact O-N 3.32Å
50	L	98.7	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.3	-171	-51.6	-179.6	0	0	0	110.5	I44 D48 L64 K70 V71 Y72 L115 I117	I44-L50 HydrophobicContact CD1-CD1 4.02Å; I44-L50 HydrophobicContact CG1-CD1 4.27Å; I44-L50 HydrophobicContact CG1-CD2 3.97Å; I44-L50 HydrophobicContact CG2-CD1 4.14Å; I44-L50 HydrophobicContact CG2-CD2 4.21Å; D48-L50 HydrophobicContact CB-CD2 3.75Å; L50-L64 HydrophobicContact CD1-CB 3.92Å; L50-L64 HydrophobicContact CD1-CD2 4.22Å; L50-K70 PolarHBondContact N-O 2.99Å; L50-V71 HydrophobicContact CB-CG2 4.29Å; L50-V71 HydrophobicContact CD1-CG2 4.2Å; L50-V71 WeakPolarHBondContact O-CA 3.18Å; L50-Y72 PolarHBondContact O-N 2.77Å; L50-L115 CarbonylContact C-O 3.49Å; L50-L115 WeakPolarHBondContact CA-O 3.27Å; L50-L115 HydrophobicContact CD2-CB 3.88Å; L50-L115 HydrophobicContact CD2-CD1 4.34Å; L50-I117 HydrophobicContact CB-CD1 4.37Å; L50-I117 HydrophobicContact CD2-CD1 3.87Å; L50-I117 HydrophobicContact CG-CD1 4.49Å
51	L	98.3	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.3	171.3	-179.1	66.6	0	0	0	109.8	I53 F74 W110 P111 F113 L115 C116 I117	L51-I53 HydrophobicContact CD2-CD1 4.43Å; L51-I53 HydrophobicContact CD2-CG1 4.46Å; L51-I53 HydrophobicContact CG-CG1 4.33Å; L51-F74 HydrophobicContact CD1-CD2 3.82Å; L51-F74 HydrophobicContact CD1-CE2 3.96Å; L51-W110 HydrophobicContact CD2-CB 4.5Å; L51-W110 HydrophobicContact CD2-CD2 3.94Å; L51-W110 HydrophobicContact CD2-CE3 3.91Å; L51-W110 HydrophobicContact CD2-CG 4.25Å; L51-W110 HydrophobicContact CD2-CZ3 4.4Å; L51-P111 HydrophobicContact CD1-CG 4.14Å; L51-F113 HydrophobicContact CB-CB 3.82Å; L51-F113 HydrophobicContact CB-CD1 3.94Å; L51-F113 HydrophobicContact CB-CD2 4.01Å; L51-F113 HydrophobicContact CB-CG 3.64Å; L51-F113 HydrophobicContact CD2-CD1 3.66Å; L51-F113 HydrophobicContact CD2-CE1 3.61Å; L51-F113 HydrophobicContact CD2-CG 4.2Å; L51-F113 HydrophobicContact CD2-CZ 4.06Å; L51-F113 HydrophobicContact CG-CD1 4.39Å; L51-L115 PolarHBondContact N-O 2.88Å; L51-C116 HydrophobicContact CB-CB 4.36Å; L51-C116 CarbonylContact O-C 3.47Å; L51-C116 VanDerWaalsContact O-CA 3.23Å; L51-C116 WeakPolarHBondContact O-CA 3.38Å; L51-I117 PolarHBondContact O-N 3.33Å
52	E	98.2	Very high	96.5	Very high	3 Å²	3	25 Å²	25	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.7	171.9	-178.8	178.7	-159.5	0	0	109.3	L60 T61 L64 Y72 A73 F74 I117	E52-L60 HydrophobicContact CG-CD2 4.37Å; E52-L60 WeakPolarHBondContact OE1-CB 3.26Å; E52-T61 VanDerWaalsContact CD-OG1 3.23Å; E52-T61 PolarHBondContact OE1-N 2.87Å; E52-T61 PolarHBondContact OE1-OG1 3.49Å; E52-T61 VanDerWaalsContact OE2-CA 3.27Å; E52-T61 WeakPolarHBondContact OE2-CA 3.32Å; E52-T61 WeakPolarHBondContact OE2-CB 3.49Å; E52-T61 PolarHBondContact OE2-OG1 2.95Å; E52-L64 HydrophobicContact CB-CD1 3.99Å; E52-L64 HydrophobicContact CG-CD1 4.31Å; E52-Y72 PolarHBondContact N-O 3.47Å; E52-A73 WeakPolarHBondContact O-CA 3.37Å; E52-F74 PolarHBondContact O-N 3.14Å; E52-I117 WeakPolarHBondContact CA-O 3.4Å
53	I	96.5	Very high	96.4	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118	175.6	-61	179.9	0	0	0	109.2	L51 A104 W110 A118 L120 I124 F128	L51-I53 HydrophobicContact CD2-CD1 4.43Å; L51-I53 HydrophobicContact CD2-CG1 4.46Å; L51-I53 HydrophobicContact CG-CG1 4.33Å; I53-A104 HydrophobicContact CD1-CB 3.99Å; I53-A104 HydrophobicContact CG1-CB 4.06Å; I53-A104 HydrophobicContact CG2-CB 3.77Å; I53-W110 HydrophobicContact CD1-CH2 4.07Å; I53-W110 HydrophobicContact CD1-CZ2 3.75Å; I53-A118 HydrophobicContact CB-CB 4.15Å; I53-L120 HydrophobicContact CB-CD2 3.88Å; I53-L120 HydrophobicContact CG2-CD2 3.84Å; I53-I124 HydrophobicContact CG2-CD1 3.97Å; I53-F128 HydrophobicContact CD1-CD2 3.69Å; I53-F128 HydrophobicContact CD1-CE2 3.52Å
54	G	93.7	Very high	96.4	Very high	23 Å²	23	25.7 Å²	25.7	24%	0.237	15%	0.152	C	C	.	.			trans	80.1	61.6	-175.6	0	0	0	0	0	111.8	G56 F74	G54-G56 PolarHBondContact O-N 3.27Å; G54-F74 WeakPolarHBondContact CA-O 3.37Å; G54-F74 PolarHBondContact N-O 3.24Å
55	S	94.5	Very high	96.4	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.042	14%	0.144	C	C	.	.			trans	-66.8	-24.1	-179	59.4	0	0	0	0	113.7	T57 G58 T61 F74	S55-T57 PolarHBondContact O-N 2.94Å; S55-G58 PolarHBondContact O-N 3.39Å; S55-T61 WeakPolarHBondContact CB-OG1 3.45Å; S55-F74 PolarHBondContact N-O 3.19Å; S55-F74 VanDerWaalsContact N-O 3.14Å
56	G	92.4	Very high	96.3	Very high	14 Å²	14	22.7 Å²	22.7	14%	0.144	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-127.1	-178.5	0	0	0	0	0	111.7	G54 G58 E75	G54-G56 PolarHBondContact O-N 3.27Å; G56-G58 VanDerWaalsContact C-N 3.29Å; G56-G58 PolarHBondContact O-N 2.97Å; G56-E75 WeakPolarHBondContact CA-OE2 3.48Å; G56-E75 PolarHBondContact N-OE2 3.31Å
57	T	92.2	Very high	96.3	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.031	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	9.9	178.5	56.7	0	0	0	0	113.7	I28 S55 M80 E83 R87	I28-T57 HydrophobicContact CD1-CG2 3.95Å; I28-T57 WeakPolarHBondContact CD1-OG1 3.35Å; S55-T57 PolarHBondContact O-N 2.94Å; T57-M80 HydrophobicContact CG2-SD 3.6Å; T57-M80 VanDerWaalsContact CG2-SD 3.6Å; T57-E83 HydrophobicContact CG2-CB 4.24Å; T57-R87 WeakPolarHBondContact O-CD 3.47Å; T57-R87 PolarHBondContact O-NH1 2.71Å
58	G	94.4	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	88.7	20.2	169.6	0	0	0	0	0	117.2	S55 G56 L60 T61 V62	S55-G58 PolarHBondContact O-N 3.39Å; G56-G58 VanDerWaalsContact C-N 3.29Å; G56-G58 PolarHBondContact O-N 2.97Å; G58-L60 PolarHBondContact O-N 2.82Å; G58-T61 WeakPolarHBondContact CA-OG1 3.43Å; G58-V62 WeakPolarHBondContact O-CG1 3.33Å; G58-V62 WeakPolarHBondContact O-CG2 3.38Å; G58-V62 PolarHBondContact O-N 2.95Å; G58-V62 VanDerWaalsContact O-N 3.09Å
59	N	94.1	Very high	96.3	Very high	14 Å²	14	27.4 Å²	27.4	8%	0.075	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-42.2	-179.9	-74.4	-22.6	0	0	0	113.2	I13 I28 L29 I35 V62 R87	I13-N59 WeakPolarHBondContact CG2-ND2 3.38Å; I13-N59 VanDerWaalsContact CG2-OD1 3.25Å; I13-N59 WeakPolarHBondContact CG2-OD1 3.25Å; I28-N59 WeakPolarHBondContact CG2-ND2 3.28Å; L29-N59 PolarHBondContact O-ND2 3.32Å; I35-N59 HydrophobicContact CD1-CB 3.83Å; N59-V62 WeakPolarHBondContact O-CG2 3.28Å; N59-R87 PolarHBondContact OD1-NH1 2.96Å; N59-R87 PolarHBondContact OD1-NH2 3.15Å
60	L	95.7	Very high	96.3	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.058	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-44.7	175.2	172.7	63.9	0	0	0	110.1	I35 V39 E52 G58 V62 K63 L64 I117	I35-L60 HydrophobicContact CG2-CD1 4.1Å; V39-L60 HydrophobicContact CG2-CD1 3.74Å; E52-L60 HydrophobicContact CG-CD2 4.37Å; E52-L60 WeakPolarHBondContact OE1-CB 3.26Å; G58-L60 PolarHBondContact O-N 2.82Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 3.43Å; L60-V62 VanDerWaalsContact O-N 3.16Å; L60-K63 WeakPolarHBondContact O-CA 3.32Å; L60-K63 WeakPolarHBondContact O-CB 3.21Å; L60-K63 PolarHBondContact O-N 3.25Å; L60-L64 HydrophobicContact CD1-CD1 4.4Å; L60-L64 HydrophobicContact CD1-CD2 4.03Å; L60-L64 HydrophobicContact CD1-CG 4.05Å; L60-L64 HydrophobicContact CD2-CD1 4.36Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CD2 4.45Å; L60-L64 HydrophobicContact CG-CG 4.02Å; L60-L64 PolarHBondContact O-N 2.94Å; L60-I117 HydrophobicContact CD1-CG2 4.2Å; L60-I117 HydrophobicContact CD2-CG2 4.03Å
61	T	97.1	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-45.4	-48.3	177.8	-42.1	0	0	0	0	113.8	E52 S55 G58 K63 L64 L65 V71 L84 L97	E52-T61 VanDerWaalsContact CD-OG1 3.23Å; E52-T61 PolarHBondContact OE1-N 2.87Å; E52-T61 PolarHBondContact OE1-OG1 3.49Å; E52-T61 VanDerWaalsContact OE2-CA 3.27Å; E52-T61 WeakPolarHBondContact OE2-CA 3.32Å; E52-T61 WeakPolarHBondContact OE2-CB 3.49Å; E52-T61 PolarHBondContact OE2-OG1 2.95Å; S55-T61 WeakPolarHBondContact CB-OG1 3.45Å; G58-T61 WeakPolarHBondContact CA-OG1 3.43Å; T61-K63 PolarHBondContact O-N 3.49Å; T61-L64 PolarHBondContact O-N 3.03Å; T61-L64 VanDerWaalsContact O-N 3.14Å; T61-L65 HydrophobicContact CG2-CD1 4.15Å; T61-L65 HydrophobicContact CG2-CG 4.41Å; T61-L65 VanDerWaalsContact O-CG 3.3Å; T61-L65 WeakPolarHBondContact O-CG 3.46Å; T61-L65 PolarHBondContact O-N 3.14Å; T61-V71 HydrophobicContact CG2-CG1 4.36Å; T61-L84 HydrophobicContact CG2-CD1 3.92Å; T61-L84 HydrophobicContact CG2-CD2 4.43Å; T61-L97 HydrophobicContact CG2-CD1 3.57Å; T61-L97 HydrophobicContact CG2-CD2 4.36Å
62	V	96.1	Very high	96.3	Very high	30 Å²	30	30.6 Å²	30.6	18%	0.182	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-35.2	-179.2	-66.1	0	0	0	0	112.4	G58 N59 L60 E66 R87 V88	G58-V62 WeakPolarHBondContact O-CG1 3.33Å; G58-V62 WeakPolarHBondContact O-CG2 3.38Å; G58-V62 PolarHBondContact O-N 2.95Å; G58-V62 VanDerWaalsContact O-N 3.09Å; N59-V62 WeakPolarHBondContact O-CG2 3.28Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 3.43Å; L60-V62 VanDerWaalsContact O-N 3.16Å; V62-E66 WeakPolarHBondContact O-CG 3.27Å; V62-E66 PolarHBondContact O-N 2.9Å; V62-R87 HydrophobicContact CG1-CG 4.42Å; V62-V88 HydrophobicContact CG1-CG1 4.27Å
63	K	96.3	Very high	96.3	Very high	57 Å²	57	30.4 Å²	30.4	25%	0.248	14%	0.144	C	C	.	.	H	α-helix	trans	-76.4	-31.7	177.3	-64.7	-49.4	-172	-174.4	0	113	I35 V39 L60 T61 E66 K67	I35-K63 HydrophobicContact CG2-CB 4.19Å; I35-K63 HydrophobicContact CG2-CG 3.83Å; V39-K63 HydrophobicContact CG2-CB 3.98Å; L60-K63 WeakPolarHBondContact O-CA 3.32Å; L60-K63 WeakPolarHBondContact O-CB 3.21Å; L60-K63 PolarHBondContact O-N 3.25Å; T61-K63 PolarHBondContact O-N 3.49Å; K63-E66 WeakPolarHBondContact CD-OE2 3.42Å; K63-E66 VanDerWaalsContact NZ-CD 3.34Å; K63-E66 IonicContact NZ-OE1 2.88Å; K63-E66 PolarHBondContact NZ-OE1 3.29Å; K63-E66 IonicContact NZ-OE2 3.79Å; K63-E66 PolarHBondContact NZ-OE2 3.44Å; K63-K67 WeakPolarHBondContact O-CG 3.42Å
64	L	98.1	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.4	-40.2	172.8	-60.7	-177.8	0	0	0	111.6	V39 I44 L50 E52 L60 T61 E66 K67 G68 V71 I117	V39-L64 HydrophobicContact CG2-CD2 4.1Å; I44-L64 HydrophobicContact CD1-CD2 3.74Å; L50-L64 HydrophobicContact CD1-CB 3.92Å; L50-L64 HydrophobicContact CD1-CD2 4.22Å; E52-L64 HydrophobicContact CB-CD1 3.99Å; E52-L64 HydrophobicContact CG-CD1 4.31Å; L60-L64 HydrophobicContact CD1-CD1 4.4Å; L60-L64 HydrophobicContact CD1-CD2 4.03Å; L60-L64 HydrophobicContact CD1-CG 4.05Å; L60-L64 HydrophobicContact CD2-CD1 4.36Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CD2 4.45Å; L60-L64 HydrophobicContact CG-CG 4.02Å; L60-L64 PolarHBondContact O-N 2.94Å; T61-L64 PolarHBondContact O-N 3.03Å; T61-L64 VanDerWaalsContact O-N 3.14Å; L64-E66 VanDerWaalsContact C-N 3.29Å; L64-E66 PolarHBondContact O-N 3.26Å; L64-K67 PolarHBondContact O-N 3.36Å; L64-G68 PolarHBondContact O-N 3.06Å; L64-V71 HydrophobicContact CB-CG1 4.38Å; L64-V71 HydrophobicContact CB-CG2 3.9Å; L64-V71 HydrophobicContact CD1-CG1 4.46Å; L64-I117 HydrophobicContact CD1-CB 4.32Å; L64-I117 HydrophobicContact CD2-CB 4.04Å; L64-I117 HydrophobicContact CD2-CD1 4.17Å; L64-I117 HydrophobicContact CD2-CG1 4.25Å; L64-I117 HydrophobicContact CD2-CG2 4.19Å
65	L	98	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-32.7	179.2	-70.4	169.8	0	0	0	113.4	T61 K67 V71 V88 H93 K96 L97	T61-L65 HydrophobicContact CG2-CD1 4.15Å; T61-L65 HydrophobicContact CG2-CG 4.41Å; T61-L65 VanDerWaalsContact O-CG 3.3Å; T61-L65 WeakPolarHBondContact O-CG 3.46Å; T61-L65 PolarHBondContact O-N 3.14Å; L65-K67 VanDerWaalsContact C-N 3.25Å; L65-K67 PolarHBondContact O-N 3.21Å; L65-V71 HydrophobicContact CD2-CB 3.85Å; L65-V71 HydrophobicContact CD2-CG2 3.65Å; L65-V71 HydrophobicContact CG-CG2 4.1Å; L65-V88 HydrophobicContact CD1-CG1 4.04Å; L65-H93 HydrophobicContact CB-CB 3.86Å; L65-K96 HydrophobicContact CD2-CB 3.81Å; L65-K96 PolarHBondContact O-NZ 2.97Å; L65-K96 VanDerWaalsContact O-NZ 3.11Å; L65-L97 HydrophobicContact CD1-CB 4.28Å; L65-L97 HydrophobicContact CD1-CD2 4.5Å; L65-L97 HydrophobicContact CD2-CB 3.78Å; L65-L97 HydrophobicContact CD2-CD1 4.33Å
66	E	96.6	Very high	96.4	Very high	88 Å²	88	35.7 Å²	35.7	41%	0.411	16%	0.164	S	C	.	.	H	α-helix	trans	-66.7	-24	174.2	-70.3	169	-165.2	0	0	112.6	V62 K63 L64	V62-E66 WeakPolarHBondContact O-CG 3.27Å; V62-E66 PolarHBondContact O-N 2.9Å; K63-E66 WeakPolarHBondContact CD-OE2 3.42Å; K63-E66 VanDerWaalsContact NZ-CD 3.34Å; K63-E66 IonicContact NZ-OE1 2.88Å; K63-E66 PolarHBondContact NZ-OE1 3.29Å; K63-E66 IonicContact NZ-OE2 3.79Å; K63-E66 PolarHBondContact NZ-OE2 3.44Å; L64-E66 VanDerWaalsContact C-N 3.29Å; L64-E66 PolarHBondContact O-N 3.26Å
67	K	97.5	Very high	96.5	Very high	119 Å²	119	35.5 Å²	35.5	52%	0.517	16%	0.159	S	C	.	.	H	α-helix	trans	-113.7	-37.6	-168.2	-61.4	-63.7	-177.6	179.9	0	114.8	V39 I44 S46 K63 L64 L65	V39-K67 HydrophobicContact CG1-CG 3.99Å; I44-K67 HydrophobicContact CB-CB 4.32Å; I44-K67 HydrophobicContact CD1-CB 4.41Å; I44-K67 HydrophobicContact CG2-CB 3.72Å; S46-K67 WeakPolarHBondContact CA-O 3.3Å; K63-K67 WeakPolarHBondContact O-CG 3.42Å; L64-K67 PolarHBondContact O-N 3.36Å; L65-K67 VanDerWaalsContact C-N 3.25Å; L65-K67 PolarHBondContact O-N 3.21Å
68	G	97.1	Very high	96.5	Very high	1 Å²	1	39 Å²	39	1%	0.01	18%	0.182	C	C	.	.			trans	-92.6	171.7	-177	0	0	0	0	0	114.5	L64 K96	L64-G68 PolarHBondContact O-N 3.06Å; G68-K96 WeakPolarHBondContact O-CD 3.46Å; G68-K96 PolarHBondContact O-NZ 3.11Å
69	R	98	Very high	96.5	Very high	173 Å²	173	43.7 Å²	43.7	65%	0.653	20%	0.2	S	C	*	.	S	Bend	trans	-76.9	-46.2	172.2	177.9	-179.6	168.1	141.9	0.1	111.6	S46 D48 K96	S46-R69 WeakPolarHBondContact O-CB 3.29Å; S46-R69 PolarHBondContact O-N 3.13Å; D48-R69 WeakPolarHBondContact O-CB 3.24Å; D48-R69 PolarHBondContact O-N 2.91Å; R69-K96 WeakPolarHBondContact O-CD 3.38Å; R69-K96 WeakPolarHBondContact O-CG 3.33Å
70	K	98.6	Very high	96.4	Very high	49 Å²	49	43.3 Å²	43.3	21%	0.213	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.1	-175.5	-176.8	78.5	-174	-169.9	0	108.9	L50 Y72 K96 E98	L50-K70 PolarHBondContact N-O 2.99Å; K70-Y72 HydrophobicContact CB-CE2 4.5Å; K70-Y72 HydrophobicContact CG-CD2 4.23Å; K70-Y72 HydrophobicContact CG-CE1 4.33Å; K70-Y72 HydrophobicContact CG-CE2 3.64Å; K70-K96 WeakPolarHBondContact CD-O 3.05Å; K70-E98 WeakPolarHBondContact CE-OE2 3.19Å; K70-E98 IonicContact NZ-OE2 2.54Å; K70-E98 PolarHBondContact NZ-OE2 3.16Å
71	V	98.7	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.9	175.3	-178.1	0	0	0	0	109	L50 T61 L64 L65 K96 L97 E98	L50-V71 HydrophobicContact CB-CG2 4.29Å; L50-V71 HydrophobicContact CD1-CG2 4.2Å; L50-V71 WeakPolarHBondContact O-CA 3.18Å; T61-V71 HydrophobicContact CG2-CG1 4.36Å; L64-V71 HydrophobicContact CB-CG1 4.38Å; L64-V71 HydrophobicContact CB-CG2 3.9Å; L64-V71 HydrophobicContact CD1-CG1 4.46Å; L65-V71 HydrophobicContact CD2-CB 3.85Å; L65-V71 HydrophobicContact CD2-CG2 3.65Å; L65-V71 HydrophobicContact CG-CG2 4.1Å; V71-K96 PolarHBondContact N-O 3.09Å; V71-L97 HydrophobicContact CB-CD1 4.22Å; V71-L97 HydrophobicContact CG1-CD1 4.11Å; V71-E98 PolarHBondContact O-N 3.23Å
72	Y	98.6	Very high	96.3	Very high	44 Å²	44	45.6 Å²	45.6	17%	0.173	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.3	169.1	-60.1	-82	0	0	0	108.8	L50 E52 K70 E98 L100 P111	L50-Y72 PolarHBondContact O-N 2.77Å; E52-Y72 PolarHBondContact N-O 3.47Å; K70-Y72 HydrophobicContact CB-CE2 4.5Å; K70-Y72 HydrophobicContact CG-CD2 4.23Å; K70-Y72 HydrophobicContact CG-CE1 4.33Å; K70-Y72 HydrophobicContact CG-CE2 3.64Å; Y72-E98 CarbonylContact C-O 3.55Å; Y72-E98 WeakPolarHBondContact CA-O 3.44Å; Y72-E98 HydrophobicContact CD1-CB 3.91Å; Y72-E98 HydrophobicContact CD1-CG 4.16Å; Y72-E98 HydrophobicContact CE1-CB 4.26Å; Y72-E98 HydrophobicContact CE1-CG 4.39Å; Y72-E98 WeakPolarHBondContact CE1-OE2 3.46Å; Y72-L100 HydrophobicContact CD1-CD1 4.42Å; Y72-P111 HydrophobicContact CD1-CB 3.77Å; Y72-P111 HydrophobicContact CD1-CG 3.75Å; Y72-P111 HydrophobicContact CD2-CB 3.84Å; Y72-P111 HydrophobicContact CD2-CG 3.77Å; Y72-P111 HydrophobicContact CE1-CB 3.81Å; Y72-P111 HydrophobicContact CE1-CG 4.32Å; Y72-P111 HydrophobicContact CE2-CB 3.89Å; Y72-P111 HydrophobicContact CE2-CG 4.34Å; Y72-P111 HydrophobicContact CG-CB 3.78Å; Y72-P111 HydrophobicContact CG-CG 3.44Å; Y72-P111 VanDerWaalsContact CG-CG 3.44Å
73	A	98.3	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107.9	-173.6	0	0	0	0	0	110.7	E52 L97 E98 I99 L100	E52-A73 WeakPolarHBondContact O-CA 3.37Å; A73-L97 HydrophobicContact CB-CD1 3.91Å; A73-E98 PolarHBondContact N-O 3.05Å; A73-I99 WeakPolarHBondContact O-CA 3.39Å; A73-L100 PolarHBondContact O-N 3.28Å
74	F	97.8	Very high	96.2	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.1	171	-84.6	-80.1	0	0	0	111.4	L51 E52 G54 S55 L100 A104 A107 W110	L51-F74 HydrophobicContact CD1-CD2 3.82Å; L51-F74 HydrophobicContact CD1-CE2 3.96Å; E52-F74 PolarHBondContact O-N 3.14Å; G54-F74 WeakPolarHBondContact CA-O 3.37Å; G54-F74 PolarHBondContact N-O 3.24Å; S55-F74 PolarHBondContact N-O 3.19Å; S55-F74 VanDerWaalsContact N-O 3.14Å; F74-L100 WeakPolarHBondContact CA-O 3.32Å; F74-L100 HydrophobicContact CD1-CB 3.57Å; F74-L100 HydrophobicContact CD1-CD1 4.5Å; F74-L100 WeakPolarHBondContact CD1-O 3.42Å; F74-L100 HydrophobicContact CD2-CB 4.33Å; F74-L100 HydrophobicContact CD2-CD1 3.99Å; F74-L100 HydrophobicContact CE1-CB 3.55Å; F74-L100 HydrophobicContact CE1-CD1 4.04Å; F74-L100 HydrophobicContact CE1-CG 4.44Å; F74-L100 HydrophobicContact CE2-CB 4.32Å; F74-L100 HydrophobicContact CE2-CD1 3.48Å; F74-L100 VanDerWaalsContact CE2-CD1 3.48Å; F74-L100 HydrophobicContact CG-CB 3.97Å; F74-L100 HydrophobicContact CG-CD1 4.48Å; F74-L100 HydrophobicContact CZ-CB 3.95Å; F74-L100 HydrophobicContact CZ-CD1 3.5Å; F74-L100 VanDerWaalsContact CZ-CD1 3.5Å; F74-L100 HydrophobicContact CZ-CG 4.37Å; F74-A104 HydrophobicContact CB-CB 3.91Å; F74-A104 HydrophobicContact CD1-CB 4Å; F74-A104 HydrophobicContact CD2-CB 3.9Å; F74-A104 HydrophobicContact CE1-CB 4.49Å; F74-A104 HydrophobicContact CE2-CB 4.39Å; F74-A104 HydrophobicContact CG-CB 3.68Å; F74-A107 HydrophobicContact CE1-CB 3.99Å; F74-A107 HydrophobicContact CZ-CB 3.9Å; F74-W110 AromaticContact CE2-CD1 3.93Å
75	E	95.5	Very high	96.1	Very high	18 Å²	18	47.4 Å²	47.4	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	137.4	169.3	176.7	53.4	-113.9	0	0	110.3	G56 D77 M80 V81 L100 V101 G102	G56-E75 WeakPolarHBondContact CA-OE2 3.48Å; G56-E75 PolarHBondContact N-OE2 3.31Å; E75-D77 PolarHBondContact OE1-N 2.91Å; E75-M80 HydrophobicContact CG-CB 3.89Å; E75-V81 HydrophobicContact CB-CG2 3.73Å; E75-V81 HydrophobicContact CG-CG2 3.74Å; E75-L100 PolarHBondContact N-O 2.76Å; E75-V101 CarbonylContact O-C 3.5Å; E75-V101 WeakPolarHBondContact O-CA 3.49Å; E75-G102 PolarHBondContact O-N 2.54Å
76	I	94.4	Very high	96	Very high	112 Å²	112	53.2 Å²	53.2	57%	0.574	25%	0.247	S	C	*	.	S	Bend	trans	-92.1	-27.9	-176.5	-161.1	172.1	0	0	0	112.3	P78 D103	I76-P78 VanDerWaalsContact O-CD 3.27Å; I76-P78 WeakPolarHBondContact O-CD 3.34Å; I76-D103 HydrophobicContact CD1-CB 4.07Å
77	D	92.8	Very high	95.8	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.059	24%	0.241	C	C	.	.			trans	-90.6	107	-178.9	-168.4	-21.4	0	0	0	110.4	Q26 E75 R79 M80 V81	Q26-D77 PolarHBondContact NE2-OD2 2.88Å; E75-D77 PolarHBondContact OE1-N 2.91Å; D77-R79 PolarHBondContact O-N 2.54Å; D77-R79 WeakPolarHBondContact OD1-CB 3.33Å; D77-R79 IonicContact OD1-CZ 2.7Å; D77-R79 PolarHBondContact OD1-N 3.21Å; D77-R79 VanDerWaalsContact OD1-N 3.15Å; D77-R79 IonicContact OD1-NE 3.3Å; D77-R79 PolarHBondContact OD1-NE 3.49Å; D77-R79 IonicContact OD1-NH2 3.09Å; D77-R79 IonicContact OD2-CZ 2.88Å; D77-R79 IonicContact OD2-NE 2.68Å; D77-R79 IonicContact OD2-NH2 3.31Å; D77-R79 PolarHBondContact OD2-NH2 2.73Å; D77-M80 HydrophobicContact CB-CB 4.24Å; D77-M80 HydrophobicContact CB-CG 3.86Å; D77-M80 WeakPolarHBondContact O-CB 3.34Å; D77-M80 PolarHBondContact O-N 2.95Å; D77-V81 PolarHBondContact O-N 2.99Å
78	P	93.7	Very high	95.7	Very high	78 Å²	78	47.1 Å²	47.1	51%	0.506	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-24.9	-177.2	-23.8	35.9	0	0	0	113.1	I76 M80 V81 S82 V101	I76-P78 VanDerWaalsContact O-CD 3.27Å; I76-P78 WeakPolarHBondContact O-CD 3.34Å; P78-M80 VanDerWaalsContact C-N 3.34Å; P78-V81 WeakPolarHBondContact O-CB 3.34Å; P78-V81 PolarHBondContact O-N 3.45Å; P78-S82 PolarHBondContact O-N 3.03Å; P78-S82 PolarHBondContact O-OG 3.4Å; P78-S82 VanDerWaalsContact O-OG 3.13Å; P78-V101 HydrophobicContact CG-CG1 4.46Å
79	R	93.2	Very high	95.6	Very high	99 Å²	99	53.5 Å²	53.5	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-67.3	-38.2	176.9	-56	172.6	-62.2	157.9	7.7	111.4	I18 D77 S82 E83	I18-R79 HydrophobicContact CD1-CB 4.38Å; I18-R79 WeakPolarHBondContact CD1-O 3.26Å; D77-R79 PolarHBondContact O-N 2.54Å; D77-R79 WeakPolarHBondContact OD1-CB 3.33Å; D77-R79 IonicContact OD1-CZ 2.7Å; D77-R79 PolarHBondContact OD1-N 3.21Å; D77-R79 VanDerWaalsContact OD1-N 3.15Å; D77-R79 IonicContact OD1-NE 3.3Å; D77-R79 PolarHBondContact OD1-NE 3.49Å; D77-R79 IonicContact OD1-NH2 3.09Å; D77-R79 IonicContact OD2-CZ 2.88Å; D77-R79 IonicContact OD2-NE 2.68Å; D77-R79 IonicContact OD2-NH2 3.31Å; D77-R79 PolarHBondContact OD2-NH2 2.73Å; R79-S82 PolarHBondContact O-N 2.93Å; R79-E83 PolarHBondContact O-N 3.38Å
80	M	92.8	Very high	95.2	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-40.1	175.3	-64.2	-64	175.2	0	0	110.6	I18 F20 T57 E75 D77 P78 S82 E83 L84	I18-M80 HydrophobicContact CD1-CE 4.38Å; I18-M80 HydrophobicContact CD1-SD 3.74Å; I18-M80 HydrophobicContact CG2-CE 3.66Å; I18-M80 HydrophobicContact CG2-SD 4.34Å; F20-M80 HydrophobicContact CD1-CE 3.74Å; F20-M80 HydrophobicContact CE1-CE 3.62Å; F20-M80 HydrophobicContact CE1-SD 4.44Å; T57-M80 HydrophobicContact CG2-SD 3.6Å; T57-M80 VanDerWaalsContact CG2-SD 3.6Å; E75-M80 HydrophobicContact CG-CB 3.89Å; D77-M80 HydrophobicContact CB-CB 4.24Å; D77-M80 HydrophobicContact CB-CG 3.86Å; D77-M80 WeakPolarHBondContact O-CB 3.34Å; D77-M80 PolarHBondContact O-N 2.95Å; P78-M80 VanDerWaalsContact C-N 3.34Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.49Å; M80-E83 PolarHBondContact O-N 3.27Å; M80-L84 PolarHBondContact O-N 2.9Å
81	V	95.3	Very high	95	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-47.2	173	170.9	0	0	0	0	111.3	E75 D77 P78 E83 L84 Q85 I99 V101	E75-V81 HydrophobicContact CB-CG2 3.73Å; E75-V81 HydrophobicContact CG-CG2 3.74Å; D77-V81 PolarHBondContact O-N 2.99Å; P78-V81 WeakPolarHBondContact O-CB 3.34Å; P78-V81 PolarHBondContact O-N 3.45Å; V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 2.89Å; V81-L84 PolarHBondContact O-N 3.26Å; V81-Q85 HydrophobicContact CG1-CG 4.38Å; V81-Q85 WeakPolarHBondContact O-CG 3.48Å; V81-Q85 PolarHBondContact O-N 3.33Å; V81-I99 HydrophobicContact CB-CG2 4.5Å; V81-I99 HydrophobicContact CG1-CD1 4.26Å; V81-I99 HydrophobicContact CG1-CG2 3.84Å; V81-I99 HydrophobicContact CG2-CG2 4Å; V81-V101 HydrophobicContact CG1-CG2 4.09Å; V81-V101 HydrophobicContact CG2-CG2 4.07Å
82	S	95.2	Very high	94.8	Very high	53 Å²	53	59 Å²	59	37%	0.371	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-41.2	177.7	-58.8	0	0	0	0	112.6	P78 R79 M80 Q85 K86	P78-S82 PolarHBondContact O-N 3.03Å; P78-S82 PolarHBondContact O-OG 3.4Å; P78-S82 VanDerWaalsContact O-OG 3.13Å; R79-S82 PolarHBondContact O-N 2.93Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.49Å; S82-Q85 PolarHBondContact O-N 3.2Å; S82-K86 WeakPolarHBondContact O-CG 3.39Å; S82-K86 PolarHBondContact O-N 3.43Å
83	E	94.1	Very high	94.6	Very high	36 Å²	36	59.7 Å²	59.7	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-69.2	-38.5	176.8	-71.2	-57.2	123.4	0	0	112.8	G16 I18 T57 R79 M80 V81 Q85 K86 R87	G16-E83 WeakPolarHBondContact CA-OE2 3.13Å; I18-E83 HydrophobicContact CD1-CB 4.09Å; I18-E83 HydrophobicContact CD1-CG 3.25Å; I18-E83 HydrophobicContact CG1-CG 3.81Å; T57-E83 HydrophobicContact CG2-CB 4.24Å; R79-E83 PolarHBondContact O-N 3.38Å; M80-E83 PolarHBondContact O-N 3.27Å; V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 2.89Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; E83-K86 PolarHBondContact O-N 2.9Å; E83-K86 IonicContact OE1-NZ 3.94Å; E83-K86 PolarHBondContact OE1-NZ 3.46Å; E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.2Å; E83-R87 PolarHBondContact O-N 2.97Å
84	L	95.6	Very high	94.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-47	171.7	169.3	59.9	0	0	0	110.6	T61 M80 V81 K86 R87 V88 L97 I99	T61-L84 HydrophobicContact CG2-CD1 3.92Å; T61-L84 HydrophobicContact CG2-CD2 4.43Å; M80-L84 PolarHBondContact O-N 2.9Å; V81-L84 PolarHBondContact O-N 3.26Å; L84-K86 PolarHBondContact O-N 3.4Å; L84-R87 WeakPolarHBondContact O-CB 3.24Å; L84-R87 PolarHBondContact O-N 3.01Å; L84-R87 VanDerWaalsContact O-N 3.17Å; L84-V88 HydrophobicContact CD1-CG1 3.85Å; L84-V88 WeakPolarHBondContact O-CG2 3.35Å; L84-V88 PolarHBondContact O-N 3.05Å; L84-L97 HydrophobicContact CD1-CD2 4.29Å; L84-L97 HydrophobicContact CD2-CD2 4.37Å; L84-L97 HydrophobicContact CG-CD2 4.28Å; L84-I99 HydrophobicContact CD2-CD1 3.78Å; L84-I99 HydrophobicContact CD2-CG1 4.08Å; L84-I99 HydrophobicContact CG-CD1 4.01Å
85	Q	96.3	Very high	94.4	Very high	88 Å²	88	70.2 Å²	70.2	41%	0.411	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-43	179.1	-75.2	176	-29.1	0	0	113	V81 S82 E83 Q89 R94 I99	V81-Q85 HydrophobicContact CG1-CG 4.38Å; V81-Q85 WeakPolarHBondContact O-CG 3.48Å; V81-Q85 PolarHBondContact O-N 3.33Å; S82-Q85 PolarHBondContact O-N 3.2Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-Q89 PolarHBondContact O-N 3.13Å; Q85-R94 PolarHBondContact O-NH1 3.19Å; Q85-I99 HydrophobicContact CG-CD1 3.54Å
86	K	95.5	Very high	94.5	Very high	123 Å²	123	72 Å²	72	54%	0.535	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-45.7	173.3	-70.7	173.6	-169.6	169.5	0	110.9	S82 E83 L84 V88 Q89	S82-K86 WeakPolarHBondContact O-CG 3.39Å; S82-K86 PolarHBondContact O-N 3.43Å; E83-K86 PolarHBondContact O-N 2.9Å; E83-K86 IonicContact OE1-NZ 3.94Å; E83-K86 PolarHBondContact OE1-NZ 3.46Å; L84-K86 PolarHBondContact O-N 3.4Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-V88 PolarHBondContact O-N 3.26Å; K86-Q89 WeakPolarHBondContact O-CB 3.42Å; K86-Q89 PolarHBondContact O-N 2.94Å; K86-Q89 VanDerWaalsContact O-N 3.14Å
87	R	93.8	Very high	94.7	Very high	76 Å²	76	67.9 Å²	67.9	29%	0.287	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-38	-177.5	-176.6	175.4	-173.6	158.6	-2.7	113.1	T57 N59 V62 E83 L84 Q89	T57-R87 WeakPolarHBondContact O-CD 3.47Å; T57-R87 PolarHBondContact O-NH1 2.71Å; N59-R87 PolarHBondContact OD1-NH1 2.96Å; N59-R87 PolarHBondContact OD1-NH2 3.15Å; V62-R87 HydrophobicContact CG1-CG 4.42Å; E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.2Å; E83-R87 PolarHBondContact O-N 2.97Å; L84-R87 WeakPolarHBondContact O-CB 3.24Å; L84-R87 PolarHBondContact O-N 3.01Å; L84-R87 VanDerWaalsContact O-N 3.17Å; R87-Q89 VanDerWaalsContact C-N 3.33Å
88	V	95.4	Very high	95	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.012	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3	178.7	-56.2	0	0	0	0	113.2	V62 L65 L84 K86 T90 S91 R94 L97	V62-V88 HydrophobicContact CG1-CG1 4.27Å; L65-V88 HydrophobicContact CD1-CG1 4.04Å; L84-V88 HydrophobicContact CD1-CG1 3.85Å; L84-V88 WeakPolarHBondContact O-CG2 3.35Å; L84-V88 PolarHBondContact O-N 3.05Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-V88 PolarHBondContact O-N 3.26Å; V88-T90 VanDerWaalsContact C-N 3.29Å; V88-T90 PolarHBondContact O-N 3.14Å; V88-S91 WeakPolarHBondContact O-CB 3.23Å; V88-S91 PolarHBondContact O-N 2.9Å; V88-S91 VanDerWaalsContact O-N 3.13Å; V88-R94 HydrophobicContact CG2-CG 4.18Å; V88-R94 WeakPolarHBondContact O-CB 3.37Å; V88-L97 HydrophobicContact CG1-CD2 4.23Å; V88-L97 HydrophobicContact CG2-CD2 3.8Å
89	Q	93.5	Very high	95.2	Very high	136 Å²	136	68.9 Å²	68.9	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-39.2	-177.1	-169.8	173.9	1.2	0	0	113.1	Q85 K86 R87 R94	Q85-Q89 PolarHBondContact O-N 3.13Å; K86-Q89 WeakPolarHBondContact O-CB 3.42Å; K86-Q89 PolarHBondContact O-N 2.94Å; K86-Q89 VanDerWaalsContact O-N 3.14Å; R87-Q89 VanDerWaalsContact C-N 3.33Å; Q89-R94 VanDerWaalsContact CA-NH1 3.28Å
90	T	91.1	Very high	95.4	Very high	135 Å²	135	66 Å²	66	83%	0.828	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.5	178.8	58.1	0	0	0	0	113.3	V88	V88-T90 VanDerWaalsContact C-N 3.29Å; V88-T90 PolarHBondContact O-N 3.14Å
91	S	93.1	Very high	95.6	Very high	39 Å²	39	70 Å²	70	27%	0.273	36%	0.358	S	S	.	.			trans	-79.8	130.8	-179	178.2	0	0	0	0	111.4	V88 H93 R94	V88-S91 WeakPolarHBondContact O-CB 3.23Å; V88-S91 PolarHBondContact O-N 2.9Å; V88-S91 VanDerWaalsContact O-N 3.13Å; S91-H93 PolarHBondContact O-N 2.61Å; S91-H93 PolarHBondContact OG-N 3.33Å; S91-R94 WeakPolarHBondContact O-CB 3.39Å; S91-R94 PolarHBondContact O-N 3.12Å; S91-R94 VanDerWaalsContact O-N 3.13Å
92	L	93.9	Very high	95.7	Very high	162 Å²	162	71 Å²	71	85%	0.848	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.2	171.8	-64	175	0	0	0	113.3
93	H	95.6	Very high	95.7	Very high	59 Å²	59	70.7 Å²	70.7	27%	0.273	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	8.7	-177.6	-56.7	-39.9	0	0	0	113.3	L65 S91 T95 K96	L65-H93 HydrophobicContact CB-CB 3.86Å; S91-H93 PolarHBondContact O-N 2.61Å; S91-H93 PolarHBondContact OG-N 3.33Å; H93-T95 PolarHBondContact O-N 2.91Å; H93-T95 VanDerWaalsContact O-N 3.15Å; H93-K96 HydrophobicContact CB-CD 4.21Å; H93-K96 WeakPolarHBondContact O-CB 3.31Å; H93-K96 PolarHBondContact O-N 3.04Å
94	R	95.2	Very high	95.8	Very high	107 Å²	107	69.2 Å²	69.2	40%	0.404	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-52.1	-38.9	-177.9	-177.7	-175.5	173.1	93.4	-4.1	113.2	Q85 V88 Q89 S91 K96 L97	Q85-R94 PolarHBondContact O-NH1 3.19Å; V88-R94 HydrophobicContact CG2-CG 4.18Å; V88-R94 WeakPolarHBondContact O-CB 3.37Å; Q89-R94 VanDerWaalsContact CA-NH1 3.28Å; S91-R94 WeakPolarHBondContact O-CB 3.39Å; S91-R94 PolarHBondContact O-N 3.12Å; S91-R94 VanDerWaalsContact O-N 3.13Å; R94-K96 PolarHBondContact O-N 3.43Å; R94-L97 WeakPolarHBondContact O-CB 3.42Å; R94-L97 PolarHBondContact O-N 2.82Å
95	T	96.5	Very high	95.8	Very high	129 Å²	129	70.7 Å²	70.7	79%	0.791	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.4	-178.6	53.8	0	0	0	0	113.6	H93 L97	H93-T95 PolarHBondContact O-N 2.91Å; H93-T95 VanDerWaalsContact O-N 3.15Å; T95-L97 VanDerWaalsContact C-N 3.32Å
96	K	97.9	Very high	95.8	Very high	55 Å²	55	74.5 Å²	74.5	24%	0.239	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-79.5	-14	174.5	-55.3	-177.3	-178	180	0	113	L65 G68 R69 K70 V71 H93 R94	L65-K96 HydrophobicContact CD2-CB 3.81Å; L65-K96 PolarHBondContact O-NZ 2.97Å; L65-K96 VanDerWaalsContact O-NZ 3.11Å; G68-K96 WeakPolarHBondContact O-CD 3.46Å; G68-K96 PolarHBondContact O-NZ 3.11Å; R69-K96 WeakPolarHBondContact O-CD 3.38Å; R69-K96 WeakPolarHBondContact O-CG 3.33Å; K70-K96 WeakPolarHBondContact CD-O 3.05Å; V71-K96 PolarHBondContact N-O 3.09Å; H93-K96 HydrophobicContact CB-CD 4.21Å; H93-K96 WeakPolarHBondContact O-CB 3.31Å; H93-K96 PolarHBondContact O-N 3.04Å; R94-K96 PolarHBondContact O-N 3.43Å
97	L	98.5	Very high	95.8	Very high	25 Å²	25	69.7 Å²	69.7	13%	0.131	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.1	-176	-175	61.7	0	0	0	111.4	T61 L65 V71 A73 L84 V88 R94 T95 I99	T61-L97 HydrophobicContact CG2-CD1 3.57Å; T61-L97 HydrophobicContact CG2-CD2 4.36Å; L65-L97 HydrophobicContact CD1-CB 4.28Å; L65-L97 HydrophobicContact CD1-CD2 4.5Å; L65-L97 HydrophobicContact CD2-CB 3.78Å; L65-L97 HydrophobicContact CD2-CD1 4.33Å; V71-L97 HydrophobicContact CB-CD1 4.22Å; V71-L97 HydrophobicContact CG1-CD1 4.11Å; A73-L97 HydrophobicContact CB-CD1 3.91Å; L84-L97 HydrophobicContact CD1-CD2 4.29Å; L84-L97 HydrophobicContact CD2-CD2 4.37Å; L84-L97 HydrophobicContact CG-CD2 4.28Å; V88-L97 HydrophobicContact CG1-CD2 4.23Å; V88-L97 HydrophobicContact CG2-CD2 3.8Å; R94-L97 WeakPolarHBondContact O-CB 3.42Å; R94-L97 PolarHBondContact O-N 2.82Å; T95-L97 VanDerWaalsContact C-N 3.32Å; L97-I99 HydrophobicContact CD1-CG1 4.39Å; L97-I99 HydrophobicContact CD2-CD1 3.98Å; L97-I99 HydrophobicContact CD2-CG1 3.87Å; L97-I99 HydrophobicContact CG-CG1 3.94Å
98	E	98.4	Very high	95.7	Very high	74 Å²	74	76 Å²	76	35%	0.346	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.4	165.9	-171.3	170.4	138.1	0	0	109	K70 V71 Y72 A73 L100	K70-E98 WeakPolarHBondContact CE-OE2 3.19Å; K70-E98 IonicContact NZ-OE2 2.54Å; K70-E98 PolarHBondContact NZ-OE2 3.16Å; V71-E98 PolarHBondContact O-N 3.23Å; Y72-E98 CarbonylContact C-O 3.55Å; Y72-E98 WeakPolarHBondContact CA-O 3.44Å; Y72-E98 HydrophobicContact CD1-CB 3.91Å; Y72-E98 HydrophobicContact CD1-CG 4.16Å; Y72-E98 HydrophobicContact CE1-CB 4.26Å; Y72-E98 HydrophobicContact CE1-CG 4.39Å; Y72-E98 WeakPolarHBondContact CE1-OE2 3.46Å; A73-E98 PolarHBondContact N-O 3.05Å; E98-L100 HydrophobicContact CG-CD2 4.23Å
99	I	98.2	Very high	95.5	Very high	37 Å²	37	80 Å²	80	19%	0.19	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.3	-178.3	-55.4	173	0	0	0	108.7	A73 V81 L84 Q85 L97 V101	A73-I99 WeakPolarHBondContact O-CA 3.39Å; V81-I99 HydrophobicContact CB-CG2 4.5Å; V81-I99 HydrophobicContact CG1-CD1 4.26Å; V81-I99 HydrophobicContact CG1-CG2 3.84Å; V81-I99 HydrophobicContact CG2-CG2 4Å; L84-I99 HydrophobicContact CD2-CD1 3.78Å; L84-I99 HydrophobicContact CD2-CG1 4.08Å; L84-I99 HydrophobicContact CG-CD1 4.01Å; Q85-I99 HydrophobicContact CG-CD1 3.54Å; L97-I99 HydrophobicContact CD1-CG1 4.39Å; L97-I99 HydrophobicContact CD2-CD1 3.98Å; L97-I99 HydrophobicContact CD2-CG1 3.87Å; L97-I99 HydrophobicContact CG-CG1 3.94Å; I99-V101 HydrophobicContact CG2-CG2 4.26Å
100	L	97.9	Very high	95.6	Very high	39 Å²	39	75 Å²	75	20%	0.204	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	95.6	179.8	-56.8	178	0	0	0	108.4	Y72 A73 F74 E75 E98 G102 P111	Y72-L100 HydrophobicContact CD1-CD1 4.42Å; A73-L100 PolarHBondContact O-N 3.28Å; F74-L100 WeakPolarHBondContact CA-O 3.32Å; F74-L100 HydrophobicContact CD1-CB 3.57Å; F74-L100 HydrophobicContact CD1-CD1 4.5Å; F74-L100 WeakPolarHBondContact CD1-O 3.42Å; F74-L100 HydrophobicContact CD2-CB 4.33Å; F74-L100 HydrophobicContact CD2-CD1 3.99Å; F74-L100 HydrophobicContact CE1-CB 3.55Å; F74-L100 HydrophobicContact CE1-CD1 4.04Å; F74-L100 HydrophobicContact CE1-CG 4.44Å; F74-L100 HydrophobicContact CE2-CB 4.32Å; F74-L100 HydrophobicContact CE2-CD1 3.48Å; F74-L100 VanDerWaalsContact CE2-CD1 3.48Å; F74-L100 HydrophobicContact CG-CB 3.97Å; F74-L100 HydrophobicContact CG-CD1 4.48Å; F74-L100 HydrophobicContact CZ-CB 3.95Å; F74-L100 HydrophobicContact CZ-CD1 3.5Å; F74-L100 VanDerWaalsContact CZ-CD1 3.5Å; F74-L100 HydrophobicContact CZ-CG 4.37Å; E75-L100 PolarHBondContact N-O 2.76Å; E98-L100 HydrophobicContact CG-CD2 4.23Å; L100-G102 PolarHBondContact O-N 2.97Å; L100-P111 HydrophobicContact CD1-CG 3.99Å
101	V	97.6	Very high	95.8	Very high	89 Å²	89	70 Å²	70	54%	0.539	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.1	-177.3	-171.2	0	0	0	0	109.6	E75 P78 V81 I99	E75-V101 CarbonylContact O-C 3.5Å; E75-V101 WeakPolarHBondContact O-CA 3.49Å; P78-V101 HydrophobicContact CG-CG1 4.46Å; V81-V101 HydrophobicContact CG1-CG2 4.09Å; V81-V101 HydrophobicContact CG2-CG2 4.07Å; I99-V101 HydrophobicContact CG2-CG2 4.26Å
102	G	95.8	Very high	96	Very high	26 Å²	26	77.5 Å²	77.5	27%	0.268	39%	0.394	S	S	.	.	S	Bend	trans	153.5	-176.7	179.9	0	0	0	0	0	115	E75 L100 A104	E75-G102 PolarHBondContact O-N 2.54Å; L100-G102 PolarHBondContact O-N 2.97Å; G102-A104 PolarHBondContact O-N 3.2Å
103	D	95.6	Very high	96.2	Very high	47 Å²	47	70.5 Å²	70.5	25%	0.251	36%	0.357	S	S	.	.			trans	-85.1	108.6	177.5	-175.3	-13.7	0	0	0	110.5	I76 I105 K106 A107	I76-D103 HydrophobicContact CD1-CB 4.07Å; D103-I105 PolarHBondContact O-N 3.15Å; D103-I105 VanDerWaalsContact O-N 3.16Å; D103-I105 VanDerWaalsContact OD1-CB 3.31Å; D103-I105 WeakPolarHBondContact OD1-CB 3.41Å; D103-I105 PolarHBondContact OD1-N 3Å; D103-K106 HydrophobicContact CB-CB 4.15Å; D103-K106 HydrophobicContact CB-CD 4.3Å; D103-K106 HydrophobicContact CB-CG 4.27Å; D103-K106 PolarHBondContact O-N 2.93Å; D103-K106 WeakPolarHBondContact OD2-CD 3.33Å; D103-K106 WeakPolarHBondContact OD2-CE 3.19Å; D103-K106 WeakPolarHBondContact OD2-CG 3.32Å; D103-A107 PolarHBondContact O-N 3.21Å
104	A	95.8	Very high	96.3	Very high	5 Å²	5	70.5 Å²	70.5	4%	0.041	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.8	178.2	0	0	0	0	0	113.1	I53 F74 G102 K106 W110	I53-A104 HydrophobicContact CD1-CB 3.99Å; I53-A104 HydrophobicContact CG1-CB 4.06Å; I53-A104 HydrophobicContact CG2-CB 3.77Å; F74-A104 HydrophobicContact CB-CB 3.91Å; F74-A104 HydrophobicContact CD1-CB 4Å; F74-A104 HydrophobicContact CD2-CB 3.9Å; F74-A104 HydrophobicContact CE1-CB 4.49Å; F74-A104 HydrophobicContact CE2-CB 4.39Å; F74-A104 HydrophobicContact CG-CB 3.68Å; G102-A104 PolarHBondContact O-N 3.2Å; A104-K106 VanDerWaalsContact C-N 3.32Å; A104-W110 PolarHBondContact O-NE1 3.25Å
105	I	96	Very high	96.4	Very high	31 Å²	31	65.4 Å²	65.4	16%	0.159	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-25.9	178.4	-56.5	-55.3	0	0	0	111.3	D103 I124 P127 F128 R131	D103-I105 PolarHBondContact O-N 3.15Å; D103-I105 VanDerWaalsContact O-N 3.16Å; D103-I105 VanDerWaalsContact OD1-CB 3.31Å; D103-I105 WeakPolarHBondContact OD1-CB 3.41Å; D103-I105 PolarHBondContact OD1-N 3Å; I105-I124 HydrophobicContact CD1-CB 4.46Å; I105-I124 HydrophobicContact CD1-CD1 4.33Å; I105-I124 HydrophobicContact CG1-CB 4.06Å; I105-I124 HydrophobicContact CG1-CD1 4.2Å; I105-I124 HydrophobicContact CG1-CG2 4.31Å; I105-P127 HydrophobicContact CD1-CB 4.24Å; I105-P127 HydrophobicContact CG1-CB 4.28Å; I105-P127 HydrophobicContact CG2-CB 3.59Å; I105-F128 HydrophobicContact CD1-CB 4.04Å; I105-R131 HydrophobicContact CD1-CG 4.24Å; I105-R131 HydrophobicContact CG2-CG 4.43Å; I105-R131 VanDerWaalsContact O-CZ 3.22Å; I105-R131 PolarHBondContact O-NE 2.88Å; I105-R131 PolarHBondContact O-NH2 2.9Å
106	K	95.9	Very high	96.5	Very high	168 Å²	168	59.2 Å²	59.2	73%	0.73	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-10.9	-179.8	-62	-179.3	-174.6	-178.9	0	113.9	D103 A104 K108	D103-K106 HydrophobicContact CB-CB 4.15Å; D103-K106 HydrophobicContact CB-CD 4.3Å; D103-K106 HydrophobicContact CB-CG 4.27Å; D103-K106 PolarHBondContact O-N 2.93Å; D103-K106 WeakPolarHBondContact OD2-CD 3.33Å; D103-K106 WeakPolarHBondContact OD2-CE 3.19Å; D103-K106 WeakPolarHBondContact OD2-CG 3.32Å; A104-K106 VanDerWaalsContact C-N 3.32Å; K106-K108 PolarHBondContact O-N 3.36Å
107	A	95.4	Very high	96.5	Very high	22 Å²	22	56.6 Å²	56.6	18%	0.182	29%	0.291	C	S	.	.			trans	-55.9	128.8	178.9	0	0	0	0	0	112.2	F74 D103 S109 R131	F74-A107 HydrophobicContact CE1-CB 3.99Å; F74-A107 HydrophobicContact CZ-CB 3.9Å; D103-A107 PolarHBondContact O-N 3.21Å; A107-S109 PolarHBondContact O-N 2.87Å; A107-S109 VanDerWaalsContact O-N 3.12Å; A107-R131 PolarHBondContact O-NH1 2.94Å; A107-R131 PolarHBondContact O-NH2 3.02Å
108	K	92.4	Very high	96.4	Very high	208 Å²	208	55.4 Å²	55.4	90%	0.904	28%	0.284	S	S	*	.	S	Bend	trans	-51.8	-41.5	-176.6	-174.8	178.9	179.6	-179.6	0	112.7	K106	K106-K108 PolarHBondContact O-N 3.36Å
109	S	91.8	Very high	96.2	Very high	88 Å²	88	53.3 Å²	53.3	62%	0.615	28%	0.276	S	S	*	.			trans	-142.2	158.1	173.2	53.7	0	0	0	0	110.3	A107	A107-S109 PolarHBondContact O-N 2.87Å; A107-S109 VanDerWaalsContact O-N 3.12Å
110	W	95.7	Very high	95.9	Very high	30 Å²	30	51.7 Å²	51.7	11%	0.114	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-93.1	148.6	164.4	-70.9	-13.8	0	0	0	109.7	L51 I53 F74 A104 F113 F128 R131 L132 A135	L51-W110 HydrophobicContact CD2-CB 4.5Å; L51-W110 HydrophobicContact CD2-CD2 3.94Å; L51-W110 HydrophobicContact CD2-CE3 3.91Å; L51-W110 HydrophobicContact CD2-CG 4.25Å; L51-W110 HydrophobicContact CD2-CZ3 4.4Å; I53-W110 HydrophobicContact CD1-CH2 4.07Å; I53-W110 HydrophobicContact CD1-CZ2 3.75Å; F74-W110 AromaticContact CE2-CD1 3.93Å; A104-W110 PolarHBondContact O-NE1 3.25Å; W110-F113 AromaticContact CE3-CE1 3.78Å; W110-F113 HydrophobicContact CE3-CE1 3.78Å; W110-F113 HydrophobicContact CE3-CZ 4.19Å; W110-F113 HydrophobicContact CZ3-CE1 4.44Å; W110-F113 HydrophobicContact CZ3-CZ 4.4Å; W110-F128 AromaticContact CH2-CD2 3.96Å; W110-F128 HydrophobicContact CH2-CD2 3.96Å; W110-F128 AromaticContact CH2-CE2 3.84Å; W110-F128 HydrophobicContact CH2-CE2 3.84Å; W110-F128 HydrophobicContact CZ2-CD2 4.45Å; W110-R131 HydrophobicContact CH2-CB 3.64Å; W110-R131 HydrophobicContact CZ2-CB 3.78Å; W110-R131 HydrophobicContact CZ2-CG 4.24Å; W110-R131 HydrophobicContact CZ3-CB 4.46Å; W110-L132 HydrophobicContact CH2-CD2 4.45Å; W110-L132 HydrophobicContact CZ3-CD2 3.94Å; W110-A135 HydrophobicContact CE3-CB 4.1Å; W110-A135 HydrophobicContact CZ3-CB 4.22Å
111	P	95.8	Very high	95.5	Very high	31 Å²	31	52.6 Å²	52.6	20%	0.201	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.6	153.7	166.8	28.2	-34.6	0	0	0	109.4	L51 Y72 L100 F113	L51-P111 HydrophobicContact CD1-CG 4.14Å; Y72-P111 HydrophobicContact CD1-CB 3.77Å; Y72-P111 HydrophobicContact CD1-CG 3.75Å; Y72-P111 HydrophobicContact CD2-CB 3.84Å; Y72-P111 HydrophobicContact CD2-CG 3.77Å; Y72-P111 HydrophobicContact CE1-CB 3.81Å; Y72-P111 HydrophobicContact CE1-CG 4.32Å; Y72-P111 HydrophobicContact CE2-CB 3.89Å; Y72-P111 HydrophobicContact CE2-CG 4.34Å; Y72-P111 HydrophobicContact CG-CB 3.78Å; Y72-P111 HydrophobicContact CG-CG 3.44Å; Y72-P111 VanDerWaalsContact CG-CG 3.44Å; L100-P111 HydrophobicContact CD1-CG 3.99Å; P111-F113 WeakPolarHBondContact O-CD1 3.39Å; P111-F113 PolarHBondContact O-N 2.96Å
112	K	95.9	Very high	95.1	Very high	196 Å²	196	50.3 Å²	50.3	85%	0.852	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-64.2	132.7	172.9	-67.9	-172	178.5	-178.1	0	109.4
113	F	97.6	Very high	94.8	Very high	15 Å²	15	56.7 Å²	56.7	7%	0.066	28%	0.278	C	S	.	.			trans	-142.9	148.9	-179.6	67.6	-87.1	0	0	0	110.8	S49 L51 W110 P111 L115 C116 F139	S49-F113 CarbonylContact O-C 3.42Å; S49-F113 WeakPolarHBondContact O-CA 3.26Å; L51-F113 HydrophobicContact CB-CB 3.82Å; L51-F113 HydrophobicContact CB-CD1 3.94Å; L51-F113 HydrophobicContact CB-CD2 4.01Å; L51-F113 HydrophobicContact CB-CG 3.64Å; L51-F113 HydrophobicContact CD2-CD1 3.66Å; L51-F113 HydrophobicContact CD2-CE1 3.61Å; L51-F113 HydrophobicContact CD2-CG 4.2Å; L51-F113 HydrophobicContact CD2-CZ 4.06Å; L51-F113 HydrophobicContact CG-CD1 4.39Å; W110-F113 AromaticContact CE3-CE1 3.78Å; W110-F113 HydrophobicContact CE3-CE1 3.78Å; W110-F113 HydrophobicContact CE3-CZ 4.19Å; W110-F113 HydrophobicContact CZ3-CE1 4.44Å; W110-F113 HydrophobicContact CZ3-CZ 4.4Å; P111-F113 WeakPolarHBondContact O-CD1 3.39Å; P111-F113 PolarHBondContact O-N 2.96Å; F113-L115 VanDerWaalsContact CD2-C 3.45Å; F113-C116 HydrophobicContact CD2-CB 4.12Å; F113-C116 HydrophobicContact CE2-CB 3.63Å; F113-C116 HydrophobicContact CZ-CB 4.29Å; F113-F139 HydrophobicContact CD2-CB 3.74Å; F113-F139 HydrophobicContact CD2-CG 4.46Å; F113-F139 HydrophobicContact CE2-CB 3.29Å; F113-F139 HydrophobicContact CE2-CD1 4.08Å; F113-F139 HydrophobicContact CE2-CD2 4.01Å; F113-F139 AromaticContact CE2-CG 3.54Å; F113-F139 HydrophobicContact CE2-CG 3.54Å; F113-F139 HydrophobicContact CZ-CB 3.77Å; F113-F139 AromaticContact CZ-CD1 3.78Å; F113-F139 HydrophobicContact CZ-CD1 3.78Å; F113-F139 HydrophobicContact CZ-CD2 4.44Å; F113-F139 AromaticContact CZ-CG 3.75Å; F113-F139 HydrophobicContact CZ-CG 3.75Å; F113-F139 WeakPolarHBondContact O-CB 3.33Å
114	D	98.2	Very high	94.7	Very high	58 Å²	58	56.1 Å²	56.1	31%	0.31	27%	0.274	S	S	.	.	S	Bend	trans	-87.9	-39.4	174.5	-59.7	-73.1	0	0	0	111	D48 S49 R140	D48-D114 WeakPolarHBondContact CA-OD2 3.2Å; D48-D114 HydrophobicContact CB-CB 3.96Å; S49-D114 PolarHBondContact N-OD2 3.08Å; S49-D114 PolarHBondContact O-N 3.4Å; D114-R140 WeakPolarHBondContact O-CA 3.19Å; D114-R140 WeakPolarHBondContact O-CB 3.29Å; D114-R140 PolarHBondContact O-N 2.86Å
115	L	98.4	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136	178.7	-66.8	176.1	0	0	0	111.8	I44 S49 L50 L51 F113 I117 R140 A141	I44-L115 HydrophobicContact CB-CD1 4.28Å; I44-L115 HydrophobicContact CG1-CD1 3.62Å; S49-L115 PolarHBondContact O-N 3.32Å; L50-L115 CarbonylContact C-O 3.49Å; L50-L115 WeakPolarHBondContact CA-O 3.27Å; L50-L115 HydrophobicContact CD2-CB 3.88Å; L50-L115 HydrophobicContact CD2-CD1 4.34Å; L51-L115 PolarHBondContact N-O 2.88Å; F113-L115 VanDerWaalsContact CD2-C 3.45Å; L115-I117 HydrophobicContact CB-CD1 3.57Å; L115-I117 HydrophobicContact CD1-CD1 4.43Å; L115-R140 HydrophobicContact CD2-CB 4.17Å; L115-A141 VanDerWaalsContact CA-O 3.32Å; L115-A141 WeakPolarHBondContact CA-O 3.34Å; L115-A141 HydrophobicContact CD2-CB 3.75Å
116	C	98.2	Very high	94.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.3	166.1	-177.8	0	0	0	0	109	L51 F113 A141 A142 V143	L51-C116 HydrophobicContact CB-CB 4.36Å; L51-C116 CarbonylContact O-C 3.47Å; L51-C116 VanDerWaalsContact O-CA 3.23Å; L51-C116 WeakPolarHBondContact O-CA 3.38Å; F113-C116 HydrophobicContact CD2-CB 4.12Å; F113-C116 HydrophobicContact CE2-CB 3.63Å; F113-C116 HydrophobicContact CZ-CB 4.29Å; C116-A141 PolarHBondContact N-O 3.01Å; C116-A142 HydrophobicContact CB-CB 3.86Å; C116-A142 CarbonylContact O-C 3.55Å; C116-A142 VanDerWaalsContact O-CA 3.26Å; C116-A142 WeakPolarHBondContact O-CA 3.29Å; C116-V143 PolarHBondContact O-N 3.19Å
117	I	98.3	Very high	94.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.6	176.4	-52.1	90.1	0	0	0	108	M38 I44 L50 L51 E52 L60 L64 L115 V143	M38-I117 HydrophobicContact CE-CG2 3.56Å; M38-I117 HydrophobicContact CG-CG2 4.23Å; M38-I117 HydrophobicContact SD-CG2 4.28Å; I44-I117 HydrophobicContact CD1-CD1 4.12Å; I44-I117 HydrophobicContact CD1-CG1 4.48Å; I44-I117 HydrophobicContact CG1-CD1 4.23Å; L50-I117 HydrophobicContact CB-CD1 4.37Å; L50-I117 HydrophobicContact CD2-CD1 3.87Å; L50-I117 HydrophobicContact CG-CD1 4.49Å; L51-I117 PolarHBondContact O-N 3.33Å; E52-I117 WeakPolarHBondContact CA-O 3.4Å; L60-I117 HydrophobicContact CD1-CG2 4.2Å; L60-I117 HydrophobicContact CD2-CG2 4.03Å; L64-I117 HydrophobicContact CD1-CB 4.32Å; L64-I117 HydrophobicContact CD2-CB 4.04Å; L64-I117 HydrophobicContact CD2-CD1 4.17Å; L64-I117 HydrophobicContact CD2-CG1 4.25Å; L64-I117 HydrophobicContact CD2-CG2 4.19Å; L115-I117 HydrophobicContact CB-CD1 3.57Å; L115-I117 HydrophobicContact CD1-CD1 4.43Å; I117-V143 WeakPolarHBondContact CA-O 3.43Å
118	A	96.6	Very high	94.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	139.2	-170.3	0	0	0	0	0	113.9	M38 I53 L120 V143 V144 M145	M38-A118 WeakPolarHBondContact CE-O 3.48Å; I53-A118 HydrophobicContact CB-CB 4.15Å; A118-L120 HydrophobicContact CB-CD2 3.77Å; A118-L120 HydrophobicContact CB-CG 3.97Å; A118-L120 PolarHBondContact O-N 2.85Å; A118-V143 PolarHBondContact N-O 2.83Å; A118-V144 HydrophobicContact CB-CG1 4.09Å; A118-V144 CarbonylContact O-C 3.46Å; A118-V144 VanDerWaalsContact O-CA 3.31Å; A118-V144 WeakPolarHBondContact O-CA 3.17Å; A118-M145 PolarHBondContact O-N 3.25Å
119	N	93.4	Very high	94.9	Very high	30 Å²	30	40.8 Å²	40.8	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	84	162	177.3	35.4	0	0	0	109	M145	N119-M145 HydrophobicContact CB-CB 4.5Å; N119-M145 PolarHBondContact OD1-SD 2.55Å; N119-M145 VanDerWaalsContact OD1-SD 3.4Å
120	L	91.9	Very high	95	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.199	C	C	.	.			trans	-68.3	136.3	-167.4	-67.2	170.5	0	0	0	112.1	I53 A118 Y122 I124 F128 V144 M145 L146	I53-L120 HydrophobicContact CB-CD2 3.88Å; I53-L120 HydrophobicContact CG2-CD2 3.84Å; A118-L120 HydrophobicContact CB-CD2 3.77Å; A118-L120 HydrophobicContact CB-CG 3.97Å; A118-L120 PolarHBondContact O-N 2.85Å; L120-Y122 PolarHBondContact O-N 3.14Å; L120-I124 HydrophobicContact CD2-CD1 4.23Å; L120-F128 HydrophobicContact CD1-CB 4.28Å; L120-F128 HydrophobicContact CD1-CD1 3.37Å; L120-F128 HydrophobicContact CD1-CD2 4.27Å; L120-F128 HydrophobicContact CD1-CE1 3.66Å; L120-F128 HydrophobicContact CD1-CG 3.69Å; L120-F128 HydrophobicContact CD1-CZ 4.23Å; L120-F128 HydrophobicContact CD2-CD2 4.1Å; L120-F128 HydrophobicContact CD2-CE2 4.38Å; L120-F128 HydrophobicContact CD2-CG 4.22Å; L120-V144 HydrophobicContact CD1-CB 3.76Å; L120-V144 HydrophobicContact CD1-CG1 4.03Å; L120-V144 HydrophobicContact CD1-CG2 4.04Å; L120-V144 HydrophobicContact CG-CB 4.25Å; L120-V144 HydrophobicContact CG-CG1 4.44Å; L120-M145 PolarHBondContact N-O 3.08Å; L120-L146 HydrophobicContact CB-CD2 4.38Å; L120-L146 HydrophobicContact CD1-CD2 3.69Å
121	P	88.6	Confident	95	Very high	58 Å²	58	40.9 Å²	40.9	38%	0.377	20%	0.204	S	C	.	.			trans	-56.8	129.5	163.3	-21.2	31.2	0	0	0	110.4	K123 I124	P121-K123 PolarHBondContact O-N 3.47Å; P121-I124 HydrophobicContact CB-CG1 4.21Å; P121-I124 HydrophobicContact CG-CD1 4.34Å; P121-I124 HydrophobicContact CG-CG1 4.39Å; P121-I124 WeakPolarHBondContact O-CG1 3.44Å; P121-I124 PolarHBondContact O-N 3.35Å
122	Y	89.5	Confident	94.9	Very high	41 Å²	41	39.4 Å²	39.4	16%	0.161	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.3	-28.7	-171.6	-57.6	-25.9	0	0	0	114.3	L120 I124 S125 Q147 P191 S195	L120-Y122 PolarHBondContact O-N 3.14Å; Y122-I124 PolarHBondContact O-N 3.25Å; Y122-S125 PolarHBondContact O-N 3Å; Y122-S125 PolarHBondContact O-OG 3.26Å; Y122-Q147 HydrophobicContact CD1-CG 3.42Å; Y122-Q147 VanDerWaalsContact CD1-CG 3.42Å; Y122-Q147 HydrophobicContact CD2-CG 3.46Å; Y122-Q147 VanDerWaalsContact CD2-CG 3.46Å; Y122-Q147 HydrophobicContact CE1-CG 3.76Å; Y122-Q147 HydrophobicContact CE2-CG 3.81Å; Y122-Q147 HydrophobicContact CG-CG 3.24Å; Y122-P191 HydrophobicContact CE2-CB 3.94Å; Y122-S195 PolarHBondContact OH-OG 2.83Å
123	K	89.5	Confident	94.8	Very high	160 Å²	160	30.8 Å²	30.8	70%	0.696	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-66.1	-21.7	179.2	-66.3	-176.6	179.5	179.9	0	113.3	P121	P121-K123 PolarHBondContact O-N 3.47Å
124	I	92.8	Very high	94.4	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.185	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-105.1	4	-175.8	70	161.9	0	0	0	113.5	I53 I105 L120 P121 Y122 S126 P127 F128	I53-I124 HydrophobicContact CG2-CD1 3.97Å; I105-I124 HydrophobicContact CD1-CB 4.46Å; I105-I124 HydrophobicContact CD1-CD1 4.33Å; I105-I124 HydrophobicContact CG1-CB 4.06Å; I105-I124 HydrophobicContact CG1-CD1 4.2Å; I105-I124 HydrophobicContact CG1-CG2 4.31Å; L120-I124 HydrophobicContact CD2-CD1 4.23Å; P121-I124 HydrophobicContact CB-CG1 4.21Å; P121-I124 HydrophobicContact CG-CD1 4.34Å; P121-I124 HydrophobicContact CG-CG1 4.39Å; P121-I124 WeakPolarHBondContact O-CG1 3.44Å; P121-I124 PolarHBondContact O-N 3.35Å; Y122-I124 PolarHBondContact O-N 3.25Å; I124-S126 PolarHBondContact O-N 3.27Å; I124-P127 WeakPolarHBondContact O-CD 3.46Å; I124-F128 WeakPolarHBondContact O-CB 3.41Å; I124-F128 PolarHBondContact O-N 3.31Å
125	S	95.4	Very high	93.8	Very high	2 Å²	2	34 Å²	34	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-47.6	-176.1	-60.7	0	0	0	0	113.1	Y122 F128 I129 L146	Y122-S125 PolarHBondContact O-N 3Å; Y122-S125 PolarHBondContact O-OG 3.26Å; S125-F128 PolarHBondContact O-N 3.05Å; S125-I129 WeakPolarHBondContact O-CG1 3.3Å; S125-I129 PolarHBondContact O-N 2.85Å; S125-L146 WeakPolarHBondContact OG-CD2 3.37Å
126	S	95.7	Very high	93	Very high	57 Å²	57	35 Å²	35	40%	0.399	20%	0.2	S	C	.	.	H	α-helix	trans	-68.9	-49.2	178.9	-170.7	0	0	0	0	113	I124 F128 I129 Q130	I124-S126 PolarHBondContact O-N 3.27Å; S126-F128 PolarHBondContact O-N 2.86Å; S126-I129 PolarHBondContact O-N 3.25Å; S126-Q130 PolarHBondContact O-N 2.73Å
127	P	96.2	Very high	92.2	Very high	53 Å²	53	37.9 Å²	37.9	34%	0.344	21%	0.213	S	C	.	.	H	α-helix	trans	-57.8	-33.2	173.4	-26	34	0	0	0	114	I105 I124 Q130 R131	I105-P127 HydrophobicContact CD1-CB 4.24Å; I105-P127 HydrophobicContact CG1-CB 4.28Å; I105-P127 HydrophobicContact CG2-CB 3.59Å; I124-P127 WeakPolarHBondContact O-CD 3.46Å; P127-Q130 PolarHBondContact O-N 3.11Å; P127-R131 WeakPolarHBondContact O-CB 3.35Å; P127-R131 WeakPolarHBondContact O-CG 3.37Å; P127-R131 PolarHBondContact O-N 2.92Å
128	F	97	Very high	91.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-44.8	175.5	171.5	-100.1	0	0	0	112.2	I53 I105 W110 L120 I124 S125 S126 Q130 R131 L132 A142 V144	I53-F128 HydrophobicContact CD1-CD2 3.69Å; I53-F128 HydrophobicContact CD1-CE2 3.52Å; I105-F128 HydrophobicContact CD1-CB 4.04Å; W110-F128 AromaticContact CH2-CD2 3.96Å; W110-F128 HydrophobicContact CH2-CD2 3.96Å; W110-F128 AromaticContact CH2-CE2 3.84Å; W110-F128 HydrophobicContact CH2-CE2 3.84Å; W110-F128 HydrophobicContact CZ2-CD2 4.45Å; L120-F128 HydrophobicContact CD1-CB 4.28Å; L120-F128 HydrophobicContact CD1-CD1 3.37Å; L120-F128 HydrophobicContact CD1-CD2 4.27Å; L120-F128 HydrophobicContact CD1-CE1 3.66Å; L120-F128 HydrophobicContact CD1-CG 3.69Å; L120-F128 HydrophobicContact CD1-CZ 4.23Å; L120-F128 HydrophobicContact CD2-CD2 4.1Å; L120-F128 HydrophobicContact CD2-CE2 4.38Å; L120-F128 HydrophobicContact CD2-CG 4.22Å; I124-F128 WeakPolarHBondContact O-CB 3.41Å; I124-F128 PolarHBondContact O-N 3.31Å; S125-F128 PolarHBondContact O-N 3.05Å; S126-F128 PolarHBondContact O-N 2.86Å; F128-Q130 VanDerWaalsContact C-N 3.32Å; F128-Q130 PolarHBondContact O-N 3.02Å; F128-R131 WeakPolarHBondContact O-CB 3.26Å; F128-R131 PolarHBondContact O-N 2.68Å; F128-L132 HydrophobicContact CD1-CD1 4.07Å; F128-L132 HydrophobicContact CD1-CG 4.5Å; F128-L132 HydrophobicContact CE1-CD1 3.31Å; F128-L132 HydrophobicContact CE1-CG 3.94Å; F128-L132 HydrophobicContact CE2-CD1 4.36Å; F128-L132 HydrophobicContact CE2-CD2 4.33Å; F128-L132 HydrophobicContact CE2-CG 4.14Å; F128-L132 HydrophobicContact CZ-CD1 3.5Å; F128-L132 HydrophobicContact CZ-CD2 3.99Å; F128-L132 HydrophobicContact CZ-CG 3.75Å; F128-L132 PolarHBondContact O-N 2.8Å; F128-A142 HydrophobicContact CZ-CB 4.33Å; F128-V144 HydrophobicContact CE1-CB 4.42Å; F128-V144 HydrophobicContact CE1-CG1 3.8Å; F128-V144 HydrophobicContact CE1-CG2 4.08Å; F128-V144 HydrophobicContact CZ-CG1 3.76Å
129	I	96.6	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-43.4	176	-61.6	-61.3	0	0	0	110.7	S125 S126 R131 L132 I133 F150 L154 A170 I200	S125-I129 WeakPolarHBondContact O-CG1 3.3Å; S125-I129 PolarHBondContact O-N 2.85Å; S126-I129 PolarHBondContact O-N 3.25Å; I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 PolarHBondContact O-N 2.69Å; I129-L132 HydrophobicContact CD1-CD1 4.46Å; I129-L132 PolarHBondContact O-N 2.82Å; I129-I133 HydrophobicContact CG2-CD1 4.45Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.5Å; I129-I133 VanDerWaalsContact O-N 3.11Å; I129-F150 HydrophobicContact CG1-CE1 4.21Å; I129-F150 HydrophobicContact CG1-CZ 4.32Å; I129-L154 HydrophobicContact CD1-CD1 4.07Å; I129-L154 HydrophobicContact CD1-CD2 4.27Å; I129-L154 HydrophobicContact CG1-CD1 4.41Å; I129-L154 HydrophobicContact CG1-CD2 4.18Å; I129-A170 HydrophobicContact CG2-CB 3.93Å; I129-I200 HydrophobicContact CD1-CD1 3.49Å; I129-I200 VanDerWaalsContact CD1-CD1 3.49Å
130	Q	94.4	Very high	91.9	Very high	60 Å²	60	44.1 Å²	44.1	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-41.1	175.7	-63.9	-59.6	-49.9	0	0	111.6	S126 P127 F128 L132 I133 S134	S126-Q130 PolarHBondContact O-N 2.73Å; P127-Q130 PolarHBondContact O-N 3.11Å; F128-Q130 VanDerWaalsContact C-N 3.32Å; F128-Q130 PolarHBondContact O-N 3.02Å; Q130-L132 PolarHBondContact O-N 2.78Å; Q130-I133 WeakPolarHBondContact O-CB 3.45Å; Q130-I133 PolarHBondContact O-N 3.36Å; Q130-S134 PolarHBondContact O-N 2.8Å; Q130-S134 PolarHBondContact O-OG 3.26Å; Q130-S134 VanDerWaalsContact O-OG 3.13Å
131	R	94.5	Very high	92.1	Very high	59 Å²	59	44 Å²	44	22%	0.223	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-38.9	174.2	-85.8	-62.4	-152.7	149.2	1.2	113.6	I105 A107 W110 P127 F128 I129 I133 S134 A135	I105-R131 HydrophobicContact CD1-CG 4.24Å; I105-R131 HydrophobicContact CG2-CG 4.43Å; I105-R131 VanDerWaalsContact O-CZ 3.22Å; I105-R131 PolarHBondContact O-NE 2.88Å; I105-R131 PolarHBondContact O-NH2 2.9Å; A107-R131 PolarHBondContact O-NH1 2.94Å; A107-R131 PolarHBondContact O-NH2 3.02Å; W110-R131 HydrophobicContact CH2-CB 3.64Å; W110-R131 HydrophobicContact CZ2-CB 3.78Å; W110-R131 HydrophobicContact CZ2-CG 4.24Å; W110-R131 HydrophobicContact CZ3-CB 4.46Å; P127-R131 WeakPolarHBondContact O-CB 3.35Å; P127-R131 WeakPolarHBondContact O-CG 3.37Å; P127-R131 PolarHBondContact O-N 2.92Å; F128-R131 WeakPolarHBondContact O-CB 3.26Å; F128-R131 PolarHBondContact O-N 2.68Å; I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 PolarHBondContact O-N 2.69Å; R131-I133 VanDerWaalsContact C-N 3.3Å; R131-I133 PolarHBondContact O-N 2.79Å; R131-S134 PolarHBondContact O-N 2.81Å; R131-A135 VanDerWaalsContact O-CB 3.25Å; R131-A135 WeakPolarHBondContact O-CB 3.23Å; R131-A135 PolarHBondContact O-N 2.75Å
132	L	95.2	Very high	92.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-41	173.6	-75.9	174.9	0	0	0	111.2	W110 F128 I129 Q130 A135 F139 A142 F174 I200	W110-L132 HydrophobicContact CH2-CD2 4.45Å; W110-L132 HydrophobicContact CZ3-CD2 3.94Å; F128-L132 HydrophobicContact CD1-CD1 4.07Å; F128-L132 HydrophobicContact CD1-CG 4.5Å; F128-L132 HydrophobicContact CE1-CD1 3.31Å; F128-L132 HydrophobicContact CE1-CG 3.94Å; F128-L132 HydrophobicContact CE2-CD1 4.36Å; F128-L132 HydrophobicContact CE2-CD2 4.33Å; F128-L132 HydrophobicContact CE2-CG 4.14Å; F128-L132 HydrophobicContact CZ-CD1 3.5Å; F128-L132 HydrophobicContact CZ-CD2 3.99Å; F128-L132 HydrophobicContact CZ-CG 3.75Å; F128-L132 PolarHBondContact O-N 2.8Å; I129-L132 HydrophobicContact CD1-CD1 4.46Å; I129-L132 PolarHBondContact O-N 2.82Å; Q130-L132 PolarHBondContact O-N 2.78Å; L132-A135 PolarHBondContact O-N 2.87Å; L132-F139 HydrophobicContact CB-CZ 4.34Å; L132-F139 HydrophobicContact CD2-CE1 3.93Å; L132-F139 HydrophobicContact CD2-CE2 4.08Å; L132-F139 HydrophobicContact CD2-CZ 3.58Å; L132-F139 HydrophobicContact CG-CZ 4.45Å; L132-A142 HydrophobicContact CD1-CB 3.97Å; L132-A142 HydrophobicContact CD2-CB 4.23Å; L132-F174 HydrophobicContact CB-CE2 4.15Å; L132-F174 HydrophobicContact CB-CZ 3.72Å; L132-I200 HydrophobicContact CD1-CD1 4.09Å; L132-I200 HydrophobicContact CD1-CG2 4.28Å
133	I	92.3	Very high	93	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-46.5	176.8	-61.9	167.4	0	0	0	109.8	I129 Q130 R131 G136 H173 F174 H211	I129-I133 HydrophobicContact CG2-CD1 4.45Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.5Å; I129-I133 VanDerWaalsContact O-N 3.11Å; Q130-I133 WeakPolarHBondContact O-CB 3.45Å; Q130-I133 PolarHBondContact O-N 3.36Å; R131-I133 VanDerWaalsContact C-N 3.3Å; R131-I133 PolarHBondContact O-N 2.79Å; I133-G136 PolarHBondContact O-N 2.88Å; I133-H173 HydrophobicContact CG1-CB 4.18Å; I133-F174 HydrophobicContact CB-CZ 4.44Å; I133-F174 HydrophobicContact CD1-CE2 4.39Å; I133-F174 HydrophobicContact CG1-CE2 3.48Å; I133-F174 VanDerWaalsContact CG1-CE2 3.48Å; I133-F174 HydrophobicContact CG1-CZ 3.75Å; I133-H211 HydrophobicContact CG2-CB 4.31Å
134	S	89.4	Confident	93.4	Very high	91 Å²	91	31.7 Å²	31.7	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-70.4	-28.5	179	-50.4	0	0	0	0	114.1	Q130 R131 G136	Q130-S134 PolarHBondContact O-N 2.8Å; Q130-S134 PolarHBondContact O-OG 3.26Å; Q130-S134 VanDerWaalsContact O-OG 3.13Å; R131-S134 PolarHBondContact O-N 2.81Å; S134-G136 PolarHBondContact O-N 2.82Å
135	A	86.7	Confident	93.6	Very high	50 Å²	50	30 Å²	30	41%	0.413	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.2	176	0	0	0	0	0	112.4	W110 R131 L132	W110-A135 HydrophobicContact CE3-CB 4.1Å; W110-A135 HydrophobicContact CZ3-CB 4.22Å; R131-A135 VanDerWaalsContact O-CB 3.25Å; R131-A135 WeakPolarHBondContact O-CB 3.23Å; R131-A135 PolarHBondContact O-N 2.75Å; L132-A135 PolarHBondContact O-N 2.87Å
136	G	81.2	Confident	93.7	Very high	21 Å²	21	29.9 Å²	29.9	22%	0.216	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-150.3	179.7	0	0	0	0	0	112.2	I133 S134 F139	I133-G136 PolarHBondContact O-N 2.88Å; S134-G136 PolarHBondContact O-N 2.82Å; G136-F139 WeakPolarHBondContact O-CE1 3.37Å
137	H	81.6	Confident	93.7	Very high	60 Å²	60	30.1 Å²	30.1	28%	0.278	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	22.2	-166.2	-52.8	72.5	0	0	0	111.5	F139 P202 L206	H137-F139 PolarHBondContact O-N 2.84Å; H137-P202 HydrophobicContact CB-CB 3.93Å; H137-P202 VanDerWaalsContact CD2-CB 3.46Å; H137-P202 WeakPolarHBondContact CD2-CB 3.47Å; H137-L206 HydrophobicContact CB-CD2 4.02Å; H137-L206 WeakPolarHBondContact CD2-CD2 3.25Å; H137-L206 WeakPolarHBondContact ND1-CD2 3.3Å; H137-L206 WeakPolarHBondContact NE2-CD2 3.1Å
138	G	88.6	Confident	93.8	Very high	72 Å²	72	29.1 Å²	29.1	74%	0.742	17%	0.173	S	C	*	.			trans	-80.3	7	-177	0	0	0	0	0	115.1
139	F	95.6	Very high	93.8	Very high	10 Å²	10	34.9 Å²	34.9	4%	0.044	20%	0.2	C	C	.	.	S	Bend	trans	-125.1	154	178.6	64.5	-89.2	0	0	0	110.3	F113 L132 G136 H137 F174 P202	F113-F139 HydrophobicContact CD2-CB 3.74Å; F113-F139 HydrophobicContact CD2-CG 4.46Å; F113-F139 HydrophobicContact CE2-CB 3.29Å; F113-F139 HydrophobicContact CE2-CD1 4.08Å; F113-F139 HydrophobicContact CE2-CD2 4.01Å; F113-F139 AromaticContact CE2-CG 3.54Å; F113-F139 HydrophobicContact CE2-CG 3.54Å; F113-F139 HydrophobicContact CZ-CB 3.77Å; F113-F139 AromaticContact CZ-CD1 3.78Å; F113-F139 HydrophobicContact CZ-CD1 3.78Å; F113-F139 HydrophobicContact CZ-CD2 4.44Å; F113-F139 AromaticContact CZ-CG 3.75Å; F113-F139 HydrophobicContact CZ-CG 3.75Å; F113-F139 WeakPolarHBondContact O-CB 3.33Å; L132-F139 HydrophobicContact CB-CZ 4.34Å; L132-F139 HydrophobicContact CD2-CE1 3.93Å; L132-F139 HydrophobicContact CD2-CE2 4.08Å; L132-F139 HydrophobicContact CD2-CZ 3.58Å; L132-F139 HydrophobicContact CG-CZ 4.45Å; G136-F139 WeakPolarHBondContact O-CE1 3.37Å; H137-F139 PolarHBondContact O-N 2.84Å; F139-F174 HydrophobicContact CZ-CE1 4.09Å; F139-P202 HydrophobicContact CD1-CG 4.47Å; F139-P202 HydrophobicContact CD2-CG 4Å; F139-P202 HydrophobicContact CE1-CG 4.1Å; F139-P202 HydrophobicContact CE2-CG 3.58Å; F139-P202 HydrophobicContact CG-CG 4.42Å; F139-P202 HydrophobicContact CZ-CG 3.62Å; F139-P202 WeakPolarHBondContact O-CG 3.4Å
140	R	96.6	Very high	93.9	Very high	78 Å²	78	36 Å²	36	29%	0.294	21%	0.205	S	C	.	.	S	Bend	trans	-78.9	-46	-178.7	-173.3	171	69.5	-131.3	6.4	112.3	G43 D48 D114 L115	G43-R140 PolarHBondContact O-NH2 3.24Å; D48-R140 IonicContact OD1-CZ 2.71Å; D48-R140 IonicContact OD1-NH1 3.51Å; D48-R140 PolarHBondContact OD1-NH1 2.8Å; D48-R140 IonicContact OD1-NH2 2.76Å; D48-R140 IonicContact OD2-CZ 3.84Å; D48-R140 IonicContact OD2-NH1 2.76Å; D48-R140 PolarHBondContact OD2-NH1 2.82Å; D48-R140 IonicContact OD2-NH2 2.95Å; D48-R140 PolarHBondContact OD2-NH2 3.13Å; D114-R140 WeakPolarHBondContact O-CA 3.19Å; D114-R140 WeakPolarHBondContact O-CB 3.29Å; D114-R140 PolarHBondContact O-N 2.86Å; L115-R140 HydrophobicContact CD2-CB 4.17Å
141	A	97.7	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	157.6	177.4	0	0	0	0	0	112.8	L115 C116 R199 I200 E201	L115-A141 VanDerWaalsContact CA-O 3.32Å; L115-A141 WeakPolarHBondContact CA-O 3.34Å; L115-A141 HydrophobicContact CD2-CB 3.75Å; C116-A141 PolarHBondContact N-O 3.01Å; A141-R199 HydrophobicContact CB-CG 4.46Å; A141-I200 CarbonylContact C-O 3.56Å; A141-I200 VanDerWaalsContact CA-O 3.3Å; A141-I200 WeakPolarHBondContact CA-O 3.23Å; A141-E201 HydrophobicContact CB-CG 3.99Å
142	A	98.1	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.2	160.5	0	0	0	0	0	109.7	C116 F128 L132 V144 R199 I200	C116-A142 HydrophobicContact CB-CB 3.86Å; C116-A142 CarbonylContact O-C 3.55Å; C116-A142 VanDerWaalsContact O-CA 3.26Å; C116-A142 WeakPolarHBondContact O-CA 3.29Å; F128-A142 HydrophobicContact CZ-CB 4.33Å; L132-A142 HydrophobicContact CD1-CB 3.97Å; L132-A142 HydrophobicContact CD2-CB 4.23Å; A142-V144 HydrophobicContact CB-CG1 4.2Å; A142-R199 CarbonylContact O-C 3.57Å; A142-R199 WeakPolarHBondContact O-CA 3.2Å; A142-I200 HydrophobicContact CB-CB 4.3Å; A142-I200 PolarHBondContact N-O 3.32Å; A142-I200 PolarHBondContact O-N 2.8Å
143	V	98.4	Very high	94.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	101.7	172.5	177.9	0	0	0	0	108.2	M38 C116 I117 A118 L179 V197 V198 R199	M38-V143 HydrophobicContact CE-CG1 4.28Å; M38-V143 WeakPolarHBondContact CE-O 3.49Å; M38-V143 HydrophobicContact CG-CG1 4.08Å; C116-V143 PolarHBondContact O-N 3.19Å; I117-V143 WeakPolarHBondContact CA-O 3.43Å; A118-V143 PolarHBondContact N-O 2.83Å; V143-L179 HydrophobicContact CG1-CD1 3.98Å; V143-L179 HydrophobicContact CG2-CD1 4.45Å; V143-V197 HydrophobicContact CG1-CG1 3.54Å; V143-V198 CarbonylContact C-O 3.6Å; V143-V198 WeakPolarHBondContact CA-O 3.31Å; V143-R199 HydrophobicContact CG2-CB 4.41Å; V143-R199 HydrophobicContact CG2-CG 4.22Å
144	V	98	Very high	94.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.6	-168	-60.8	0	0	0	0	112.3	A118 L120 F128 A142 L146 V197 V198 I200	A118-V144 HydrophobicContact CB-CG1 4.09Å; A118-V144 CarbonylContact O-C 3.46Å; A118-V144 VanDerWaalsContact O-CA 3.31Å; A118-V144 WeakPolarHBondContact O-CA 3.17Å; L120-V144 HydrophobicContact CD1-CB 3.76Å; L120-V144 HydrophobicContact CD1-CG1 4.03Å; L120-V144 HydrophobicContact CD1-CG2 4.04Å; L120-V144 HydrophobicContact CG-CB 4.25Å; L120-V144 HydrophobicContact CG-CG1 4.44Å; F128-V144 HydrophobicContact CE1-CB 4.42Å; F128-V144 HydrophobicContact CE1-CG1 3.8Å; F128-V144 HydrophobicContact CE1-CG2 4.08Å; F128-V144 HydrophobicContact CZ-CG1 3.76Å; A142-V144 HydrophobicContact CB-CG1 4.2Å; V144-L146 HydrophobicContact CG2-CD1 4.01Å; V144-L146 HydrophobicContact CG2-CD2 4.42Å; V144-L146 HydrophobicContact CG2-CG 4.07Å; V144-V197 WeakPolarHBondContact O-CA 3.25Å; V144-V198 HydrophobicContact CG2-CG2 3.65Å; V144-V198 PolarHBondContact N-O 3.42Å; V144-V198 PolarHBondContact O-N 3.2Å; V144-I200 HydrophobicContact CG2-CD1 4.01Å
145	M	97.3	Very high	95.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.1	172.3	-164.3	174.4	-64.3	0	0	110	L29 V34 M38 A118 N119 L120 I182 F187 A196 V197	L29-M145 HydrophobicContact CD1-CE 4.24Å; L29-M145 HydrophobicContact CD1-SD 4.45Å; L29-M145 HydrophobicContact CD2-CE 3.64Å; L29-M145 HydrophobicContact CD2-SD 4.4Å; V34-M145 HydrophobicContact CG1-CE 3.66Å; M38-M145 HydrophobicContact SD-CE 4.25Å; A118-M145 PolarHBondContact O-N 3.25Å; N119-M145 HydrophobicContact CB-CB 4.5Å; N119-M145 PolarHBondContact OD1-SD 2.55Å; N119-M145 VanDerWaalsContact OD1-SD 3.4Å; L120-M145 PolarHBondContact N-O 3.08Å; M145-I182 HydrophobicContact CE-CG1 3.97Å; M145-I182 HydrophobicContact SD-CG1 4.28Å; M145-F187 HydrophobicContact SD-CE1 3.8Å; M145-F187 HydrophobicContact SD-CZ 3.38Å; M145-F187 WeakPolarHBondContact SD-CZ 3.42Å; M145-A196 WeakPolarHBondContact CA-O 3.39Å; M145-V197 HydrophobicContact CB-CG2 4.44Å; M145-V197 HydrophobicContact CE-CG2 3.88Å; M145-V197 HydrophobicContact CG-CG2 4.37Å
146	L	96.9	Very high	95.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.8	-176.5	-62.4	170.3	0	0	0	109.6	L120 S125 V144 K148 F150 A151 L154 S195 A196 V198	L120-L146 HydrophobicContact CB-CD2 4.38Å; L120-L146 HydrophobicContact CD1-CD2 3.69Å; S125-L146 WeakPolarHBondContact OG-CD2 3.37Å; V144-L146 HydrophobicContact CG2-CD1 4.01Å; V144-L146 HydrophobicContact CG2-CD2 4.42Å; V144-L146 HydrophobicContact CG2-CG 4.07Å; L146-K148 PolarHBondContact O-N 3.46Å; L146-F150 HydrophobicContact CB-CD1 4.3Å; L146-F150 HydrophobicContact CD1-CD1 3.86Å; L146-F150 HydrophobicContact CD1-CE1 4.11Å; L146-F150 HydrophobicContact CD2-CD1 4.22Å; L146-F150 HydrophobicContact CD2-CE1 4.37Å; L146-F150 HydrophobicContact CG-CD1 4.37Å; L146-A151 HydrophobicContact CB-CB 4.46Å; L146-L154 HydrophobicContact CD1-CD1 3.5Å; L146-L154 VanDerWaalsContact CD1-CD1 3.5Å; L146-S195 CarbonylContact O-C 3.59Å; L146-S195 WeakPolarHBondContact O-CA 3.42Å; L146-S195 VanDerWaalsContact O-CB 3.24Å; L146-S195 WeakPolarHBondContact O-CB 3.46Å; L146-A196 PolarHBondContact N-O 3.09Å; L146-A196 PolarHBondContact O-N 3.45Å; L146-V198 HydrophobicContact CD1-CG2 3.45Å; L146-V198 VanDerWaalsContact CD1-CG2 3.45Å; L146-V198 HydrophobicContact CG-CG2 4.32Å
147	Q	96.4	Very high	96.4	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.294	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	142.2	166.1	-64	-174.7	-60.1	0	0	109.8	Y122 E149 F150 A151 V193	Y122-Q147 HydrophobicContact CD1-CG 3.42Å; Y122-Q147 VanDerWaalsContact CD1-CG 3.42Å; Y122-Q147 HydrophobicContact CD2-CG 3.46Å; Y122-Q147 VanDerWaalsContact CD2-CG 3.46Å; Y122-Q147 HydrophobicContact CE1-CG 3.76Å; Y122-Q147 HydrophobicContact CE2-CG 3.81Å; Y122-Q147 HydrophobicContact CG-CG 3.24Å; Q147-E149 VanDerWaalsContact C-N 3.33Å; Q147-E149 PolarHBondContact O-N 2.92Å; Q147-F150 HydrophobicContact CB-CB 4.24Å; Q147-F150 PolarHBondContact O-N 3.32Å; Q147-F150 VanDerWaalsContact O-N 3.08Å; Q147-A151 PolarHBondContact O-N 2.83Å; Q147-V193 HydrophobicContact CB-CG2 4.4Å; Q147-V193 HydrophobicContact CG-CG2 4.14Å
148	K	97.8	Very high	97.1	Very high	31 Å²	31	34.3 Å²	34.3	14%	0.135	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-46.5	-176.2	-177.3	66	-174.6	84.4	0	112.4	L146 F150 A151 D152 K181 D194 A196	L146-K148 PolarHBondContact O-N 3.46Å; K148-F150 VanDerWaalsContact C-N 3.33Å; K148-F150 PolarHBondContact O-N 2.92Å; K148-A151 WeakPolarHBondContact O-CB 3.37Å; K148-A151 PolarHBondContact O-N 2.84Å; K148-D152 IonicContact NZ-OD1 3.14Å; K148-D152 PolarHBondContact NZ-OD1 2.84Å; K148-D152 IonicContact NZ-OD2 3.84Å; K148-D152 PolarHBondContact NZ-OD2 2.82Å; K148-D152 PolarHBondContact O-N 3.39Å; K148-K181 HydrophobicContact CD-CG 4.31Å; K148-D194 HydrophobicContact CB-CB 4.37Å; K148-D194 VanDerWaalsContact CB-O 3.29Å; K148-D194 WeakPolarHBondContact CB-O 3.34Å; K148-D194 PolarHBondContact N-O 3.29Å; K148-A196 HydrophobicContact CD-CB 3.7Å
149	E	97.5	Very high	97.4	Very high	122 Å²	122	32.8 Å²	32.8	57%	0.57	16%	0.163	S	C	*	.	H	α-helix	trans	-61	-39.9	177.9	-173	-166.6	154.3	0	0	112.4	Q147 D152 R153	Q147-E149 VanDerWaalsContact C-N 3.33Å; Q147-E149 PolarHBondContact O-N 2.92Å; E149-D152 PolarHBondContact O-N 3.39Å; E149-R153 WeakPolarHBondContact O-CG 3.35Å; E149-R153 PolarHBondContact O-N 3.46Å
150	F	98.1	Very high	97.4	Very high	23 Å²	23	36 Å²	36	10%	0.101	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-41.3	178.1	-171.1	-87	0	0	0	111.3	I129 L146 Q147 K148 R153 L154 L166	I129-F150 HydrophobicContact CG1-CE1 4.21Å; I129-F150 HydrophobicContact CG1-CZ 4.32Å; L146-F150 HydrophobicContact CB-CD1 4.3Å; L146-F150 HydrophobicContact CD1-CD1 3.86Å; L146-F150 HydrophobicContact CD1-CE1 4.11Å; L146-F150 HydrophobicContact CD2-CD1 4.22Å; L146-F150 HydrophobicContact CD2-CE1 4.37Å; L146-F150 HydrophobicContact CG-CD1 4.37Å; Q147-F150 HydrophobicContact CB-CB 4.24Å; Q147-F150 PolarHBondContact O-N 3.32Å; Q147-F150 VanDerWaalsContact O-N 3.08Å; K148-F150 VanDerWaalsContact C-N 3.33Å; K148-F150 PolarHBondContact O-N 2.92Å; F150-R153 PolarHBondContact O-N 3.45Å; F150-L154 HydrophobicContact CD1-CD1 3.78Å; F150-L154 HydrophobicContact CD1-CG 4.13Å; F150-L154 HydrophobicContact CE1-CD1 3.52Å; F150-L154 HydrophobicContact CE1-CD2 4.41Å; F150-L154 HydrophobicContact CE1-CG 3.86Å; F150-L154 PolarHBondContact O-N 3.48Å; F150-L166 HydrophobicContact CD2-CD2 3.97Å; F150-L166 HydrophobicContact CE1-CD2 4.18Å; F150-L166 HydrophobicContact CE2-CD2 3.45Å; F150-L166 VanDerWaalsContact CE2-CD2 3.45Å; F150-L166 HydrophobicContact CZ-CD1 4.09Å; F150-L166 HydrophobicContact CZ-CD2 3.57Å; F150-L166 HydrophobicContact CZ-CG 4.46Å
151	A	98.3	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-40.7	173	0	0	0	0	0	112.3	L146 Q147 K148 L154 T155 A196 V198	L146-A151 HydrophobicContact CB-CB 4.46Å; Q147-A151 PolarHBondContact O-N 2.83Å; K148-A151 WeakPolarHBondContact O-CB 3.37Å; K148-A151 PolarHBondContact O-N 2.84Å; A151-L154 PolarHBondContact O-N 3.23Å; A151-T155 PolarHBondContact O-N 2.86Å; A151-T155 VanDerWaalsContact O-N 3.08Å; A151-T155 PolarHBondContact O-OG1 2.83Å; A151-A196 HydrophobicContact CB-CB 3.77Å; A151-V198 HydrophobicContact CB-CG1 3.65Å
152	D	98.5	Very high	97.3	Very high	48 Å²	48	44.2 Å²	44.2	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-44.7	174	-74.9	-45.2	0	0	0	111.4	K148 E149 L154 T155 A156 L162	K148-D152 IonicContact NZ-OD1 3.14Å; K148-D152 PolarHBondContact NZ-OD1 2.84Å; K148-D152 IonicContact NZ-OD2 3.84Å; K148-D152 PolarHBondContact NZ-OD2 2.82Å; K148-D152 PolarHBondContact O-N 3.39Å; E149-D152 PolarHBondContact O-N 3.39Å; D152-L154 VanDerWaalsContact C-N 3.34Å; D152-L154 PolarHBondContact O-N 3.21Å; D152-T155 PolarHBondContact O-N 2.67Å; D152-T155 PolarHBondContact O-OG1 2.9Å; D152-A156 WeakPolarHBondContact O-CB 3.34Å; D152-A156 PolarHBondContact O-N 2.99Å; D152-L162 HydrophobicContact CB-CD1 3.56Å
153	R	98.2	Very high	97.3	Very high	84 Å²	84	44.8 Å²	44.8	32%	0.317	22%	0.224	S	C	.	.	H	α-helix	trans	-63.3	-39.5	175.5	-71.9	173.9	60.7	-161.6	-5.1	112.2	E149 F150 T155 L162 L166 S167	E149-R153 WeakPolarHBondContact O-CG 3.35Å; E149-R153 PolarHBondContact O-N 3.46Å; F150-R153 PolarHBondContact O-N 3.45Å; R153-T155 VanDerWaalsContact C-N 3.27Å; R153-T155 PolarHBondContact O-N 2.89Å; R153-L162 HydrophobicContact CG-CB 4.26Å; R153-L162 HydrophobicContact CG-CD2 4.42Å; R153-L166 HydrophobicContact CB-CD2 4.25Å; R153-S167 VanDerWaalsContact O-CB 3.29Å; R153-S167 WeakPolarHBondContact O-CB 3.44Å; R153-S167 PolarHBondContact O-OG 2.85Å
154	L	98	Very high	97.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-34.6	176.7	-83.8	174.4	0	0	0	112.8	I129 L146 F150 A151 D152 L166 A170 Q171 I176	I129-L154 HydrophobicContact CD1-CD1 4.07Å; I129-L154 HydrophobicContact CD1-CD2 4.27Å; I129-L154 HydrophobicContact CG1-CD1 4.41Å; I129-L154 HydrophobicContact CG1-CD2 4.18Å; L146-L154 HydrophobicContact CD1-CD1 3.5Å; L146-L154 VanDerWaalsContact CD1-CD1 3.5Å; F150-L154 HydrophobicContact CD1-CD1 3.78Å; F150-L154 HydrophobicContact CD1-CG 4.13Å; F150-L154 HydrophobicContact CE1-CD1 3.52Å; F150-L154 HydrophobicContact CE1-CD2 4.41Å; F150-L154 HydrophobicContact CE1-CG 3.86Å; F150-L154 PolarHBondContact O-N 3.48Å; A151-L154 PolarHBondContact O-N 3.23Å; D152-L154 VanDerWaalsContact C-N 3.34Å; D152-L154 PolarHBondContact O-N 3.21Å; L154-L166 HydrophobicContact CD2-CD1 3.85Å; L154-L166 HydrophobicContact CD2-CD2 4.17Å; L154-L166 HydrophobicContact CD2-CG 3.8Å; L154-L166 HydrophobicContact CG-CD2 4.21Å; L154-L166 HydrophobicContact CG-CG 4.36Å; L154-A170 HydrophobicContact CD2-CB 3.63Å; L154-Q171 PolarHBondContact O-NE2 3.17Å; L154-I176 HydrophobicContact CD2-CD1 4.24Å
155	T	98	Very high	97.2	Very high	29 Å²	29	49.4 Å²	49.4	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-98.7	-12.4	-174.1	51.7	0	0	0	0	114.2	A151 D152 R153 I176	A151-T155 PolarHBondContact O-N 2.86Å; A151-T155 VanDerWaalsContact O-N 3.08Å; A151-T155 PolarHBondContact O-OG1 2.83Å; D152-T155 PolarHBondContact O-N 2.67Å; D152-T155 PolarHBondContact O-OG1 2.9Å; R153-T155 VanDerWaalsContact C-N 3.27Å; R153-T155 PolarHBondContact O-N 2.89Å; T155-I176 HydrophobicContact CG2-CB 4.48Å; T155-I176 HydrophobicContact CG2-CG2 3.77Å
156	A	98	Very high	97.2	Very high	6 Å²	6	50.2 Å²	50.2	5%	0.05	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-54.6	138.6	176.5	0	0	0	0	0	112	D152 D160 L162 Y163 Q171	D152-A156 WeakPolarHBondContact O-CB 3.34Å; D152-A156 PolarHBondContact O-N 2.99Å; A156-D160 WeakPolarHBondContact CA-OD2 3.32Å; A156-D160 HydrophobicContact CB-CB 4.15Å; A156-L162 HydrophobicContact CB-CB 4Å; A156-Y163 WeakPolarHBondContact O-CD2 3.48Å; A156-Q171 PolarHBondContact O-NE2 3.45Å
157	K	97.2	Very high	97.2	Very high	112 Å²	112	50.2 Å²	50.2	49%	0.487	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-101.5	165	-179.4	-59	-57.2	179.6	179.9	0	111.6	G159 D160 Y163	K157-G159 PolarHBondContact O-N 3.41Å; K157-D160 PolarHBondContact N-OD2 2.81Å; K157-D160 VanDerWaalsContact O-CB 3.23Å; K157-D160 WeakPolarHBondContact O-CB 3.31Å; K157-D160 PolarHBondContact O-N 2.79Å; K157-Y163 VanDerWaalsContact C-CD2 3.48Å; K157-Y163 VanDerWaalsContact O-CB 3.28Å; K157-Y163 WeakPolarHBondContact O-CB 3.3Å; K157-Y163 WeakPolarHBondContact O-CD2 3.33Å
158	S	96.4	Very high	97.3	Very high	43 Å²	43	47.5 Å²	47.5	30%	0.301	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	136.1	172.2	-179.6	0	0	0	0	110.1	A292 L293	S158-A292 PolarHBondContact OG-O 3.38Å; S158-L293 WeakPolarHBondContact CB-O 3.38Å; S158-L293 VanDerWaalsContact OG-C 3.24Å; S158-L293 PolarHBondContact OG-N 3.24Å; S158-L293 PolarHBondContact OG-O 2.76Å; S158-L293 VanDerWaalsContact OG-O 3.13Å
159	G	95	Very high	97.2	Very high	39 Å²	39	46 Å²	46	40%	0.402	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-31.8	-173.3	0	0	0	0	0	114.4	K157 R291	K157-G159 PolarHBondContact O-N 3.41Å; G159-R291 WeakPolarHBondContact CA-O 3.5Å; G159-R291 PolarHBondContact N-O 3.48Å; G159-R291 PolarHBondContact O-NH2 2.75Å
160	D	96.1	Very high	97.1	Very high	78 Å²	78	40.2 Å²	40.2	42%	0.417	20%	0.203	S	C	.	.			trans	-64	147.3	-177	-70.3	-21.2	0	0	0	112.4	A156 K157 L162 Y163	A156-D160 WeakPolarHBondContact CA-OD2 3.32Å; A156-D160 HydrophobicContact CB-CB 4.15Å; K157-D160 PolarHBondContact N-OD2 2.81Å; K157-D160 VanDerWaalsContact O-CB 3.23Å; K157-D160 WeakPolarHBondContact O-CB 3.31Å; K157-D160 PolarHBondContact O-N 2.79Å; D160-L162 PolarHBondContact O-N 2.78Å; D160-Y163 VanDerWaalsContact O-CB 3.29Å; D160-Y163 WeakPolarHBondContact O-CB 3.33Å; D160-Y163 PolarHBondContact O-N 2.81Å; D160-Y163 VanDerWaalsContact O-N 3.13Å
161	K	95.3	Very high	97	Very high	180 Å²	180	40.5 Å²	40.5	78%	0.783	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.1	176.6	-175	177.5	178.4	-180	0	112.8
162	L	96.9	Very high	96.9	Very high	71 Å²	71	40.6 Å²	40.6	37%	0.372	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.6	-178.4	-66.5	178.8	0	0	0	113.5	D152 R153 A156 D160 C164	D152-L162 HydrophobicContact CB-CD1 3.56Å; R153-L162 HydrophobicContact CG-CB 4.26Å; R153-L162 HydrophobicContact CG-CD2 4.42Å; A156-L162 HydrophobicContact CB-CB 4Å; D160-L162 PolarHBondContact O-N 2.78Å; L162-C164 PolarHBondContact O-N 3.41Å
163	Y	97.5	Very high	96.7	Very high	11 Å²	11	38.8 Å²	38.8	4%	0.043	19%	0.194	C	C	.	.			trans	-61.3	130.8	176.9	-168.4	-118.1	0	0	0	111.1	A156 K157 D160 S167 A168 F222 L293 F298	A156-Y163 WeakPolarHBondContact O-CD2 3.48Å; K157-Y163 VanDerWaalsContact C-CD2 3.48Å; K157-Y163 VanDerWaalsContact O-CB 3.28Å; K157-Y163 WeakPolarHBondContact O-CB 3.3Å; K157-Y163 WeakPolarHBondContact O-CD2 3.33Å; D160-Y163 VanDerWaalsContact O-CB 3.29Å; D160-Y163 WeakPolarHBondContact O-CB 3.33Å; D160-Y163 PolarHBondContact O-N 2.81Å; D160-Y163 VanDerWaalsContact O-N 3.13Å; Y163-S167 VanDerWaalsContact CD2-CB 3.41Å; Y163-A168 WeakPolarHBondContact OH-CB 3.47Å; Y163-F222 HydrophobicContact CD1-CE1 4.34Å; Y163-F222 HydrophobicContact CD1-CZ 4.16Å; Y163-F222 HydrophobicContact CE1-CE1 4.33Å; Y163-F222 AromaticContact CE1-CZ 3.7Å; Y163-F222 HydrophobicContact CE1-CZ 3.7Å; Y163-L293 WeakPolarHBondContact CE1-O 3.38Å; Y163-L293 PolarHBondContact OH-O 2.88Å; Y163-F298 HydrophobicContact CE1-CE2 4.48Å; Y163-F298 WeakPolarHBondContact OH-CE2 3.21Å
164	C	97.3	Very high	96.6	Very high	14 Å²	14	34.9 Å²	34.9	10%	0.095	18%	0.18	C	C	.	.			trans	-156.9	179.4	-176.4	64.6	0	0	0	0	111.5	L162 L166 S167 A168	L162-C164 PolarHBondContact O-N 3.41Å; C164-L166 PolarHBondContact O-N 3.38Å; C164-L166 VanDerWaalsContact O-N 3.15Å; C164-S167 PolarHBondContact N-OG 2.92Å; C164-S167 WeakPolarHBondContact O-CA 3.24Å; C164-S167 VanDerWaalsContact O-CB 3.22Å; C164-S167 WeakPolarHBondContact O-CB 3.43Å; C164-S167 PolarHBondContact O-N 3.06Å; C164-S167 PolarHBondContact O-OG 3Å; C164-A168 PolarHBondContact O-N 3.11Å; C164-A168 VanDerWaalsContact O-N 3.09Å
165	R	97.1	Very high	96.5	Very high	84 Å²	84	41.1 Å²	41.1	32%	0.317	21%	0.207	S	C	.	.	H	α-helix	trans	-51.2	-38	175.9	176.7	168.4	164	-147.8	-2.9	113.4	S167 A168 S169 D215 L218 F222	R165-S167 VanDerWaalsContact C-N 3.32Å; R165-S167 PolarHBondContact O-N 3.49Å; R165-A168 PolarHBondContact O-N 3.2Å; R165-S169 WeakPolarHBondContact O-CB 3.4Å; R165-S169 PolarHBondContact O-N 3.42Å; R165-D215 IonicContact CZ-OD1 3.31Å; R165-D215 VanDerWaalsContact CZ-OD1 3.3Å; R165-D215 IonicContact CZ-OD2 2.68Å; R165-D215 IonicContact NE-OD1 2.84Å; R165-D215 PolarHBondContact NE-OD1 3.49Å; R165-D215 VanDerWaalsContact NE-OD1 3.09Å; R165-D215 IonicContact NH2-OD1 3.52Å; R165-D215 PolarHBondContact NH2-OD1 2.76Å; R165-D215 IonicContact NH2-OD2 2.69Å; R165-D215 PolarHBondContact NH2-OD2 2.87Å; R165-L218 HydrophobicContact CG-CB 4.15Å; R165-F222 HydrophobicContact CB-CB 3.81Å; R165-F222 HydrophobicContact CB-CD2 3.89Å; R165-F222 HydrophobicContact CB-CG 3.85Å
166	L	96.8	Very high	96.5	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.089	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-43.4	176.6	176.7	65.7	0	0	0	111.3	F150 R153 L154 C164 A170	F150-L166 HydrophobicContact CD2-CD2 3.97Å; F150-L166 HydrophobicContact CE1-CD2 4.18Å; F150-L166 HydrophobicContact CE2-CD2 3.45Å; F150-L166 VanDerWaalsContact CE2-CD2 3.45Å; F150-L166 HydrophobicContact CZ-CD1 4.09Å; F150-L166 HydrophobicContact CZ-CD2 3.57Å; F150-L166 HydrophobicContact CZ-CG 4.46Å; R153-L166 HydrophobicContact CB-CD2 4.25Å; L154-L166 HydrophobicContact CD2-CD1 3.85Å; L154-L166 HydrophobicContact CD2-CD2 4.17Å; L154-L166 HydrophobicContact CD2-CG 3.8Å; L154-L166 HydrophobicContact CG-CD2 4.21Å; L154-L166 HydrophobicContact CG-CG 4.36Å; C164-L166 PolarHBondContact O-N 3.38Å; C164-L166 VanDerWaalsContact O-N 3.15Å; L166-A170 WeakPolarHBondContact O-CB 3.38Å; L166-A170 PolarHBondContact O-N 3.27Å
167	S	97.8	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-54.9	177.4	-36.1	0	0	0	0	110.4	R153 Y163 C164 R165 S169 A170 Q171	R153-S167 VanDerWaalsContact O-CB 3.29Å; R153-S167 WeakPolarHBondContact O-CB 3.44Å; R153-S167 PolarHBondContact O-OG 2.85Å; Y163-S167 VanDerWaalsContact CD2-CB 3.41Å; C164-S167 PolarHBondContact N-OG 2.92Å; C164-S167 WeakPolarHBondContact O-CA 3.24Å; C164-S167 VanDerWaalsContact O-CB 3.22Å; C164-S167 WeakPolarHBondContact O-CB 3.43Å; C164-S167 PolarHBondContact O-N 3.06Å; C164-S167 PolarHBondContact O-OG 3Å; R165-S167 VanDerWaalsContact C-N 3.32Å; R165-S167 PolarHBondContact O-N 3.49Å; S167-S169 PolarHBondContact O-N 2.96Å; S167-A170 PolarHBondContact O-N 3.49Å; S167-Q171 VanDerWaalsContact O-CB 3.25Å; S167-Q171 WeakPolarHBondContact O-CB 3.45Å; S167-Q171 VanDerWaalsContact O-CG 3.24Å; S167-Q171 WeakPolarHBondContact O-CG 3.33Å; S167-Q171 PolarHBondContact O-N 3.46Å
168	A	96.9	Very high	96.5	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-42.8	-178	0	0	0	0	0	112.6	Y163 C164 R165 F172 L218 F222 F298	Y163-A168 WeakPolarHBondContact OH-CB 3.47Å; C164-A168 PolarHBondContact O-N 3.11Å; C164-A168 VanDerWaalsContact O-N 3.09Å; R165-A168 PolarHBondContact O-N 3.2Å; A168-F172 WeakPolarHBondContact O-CB 3.35Å; A168-F172 PolarHBondContact O-N 3.39Å; A168-L218 HydrophobicContact CB-CD1 3.77Å; A168-L218 HydrophobicContact CB-CD2 4.08Å; A168-F222 HydrophobicContact CB-CE2 3.79Å; A168-F222 HydrophobicContact CB-CZ 4.19Å; A168-F298 HydrophobicContact CB-CE2 4.14Å
169	S	95.4	Very high	96.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-48.8	179.1	177.7	0	0	0	0	111.3	R165 S167 H173	R165-S169 WeakPolarHBondContact O-CB 3.4Å; R165-S169 PolarHBondContact O-N 3.42Å; S167-S169 PolarHBondContact O-N 2.96Å; S169-H173 PolarHBondContact O-CD2 3.15Å
170	A	96.2	Very high	96.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.5	-41.5	-176.3	0	0	0	0	0	112.4	I129 L154 L166 S167 F172 H173 F174 I176	I129-A170 HydrophobicContact CG2-CB 3.93Å; L154-A170 HydrophobicContact CD2-CB 3.63Å; L166-A170 WeakPolarHBondContact O-CB 3.38Å; L166-A170 PolarHBondContact O-N 3.27Å; S167-A170 PolarHBondContact O-N 3.49Å; A170-F172 VanDerWaalsContact C-N 3.27Å; A170-F172 PolarHBondContact O-N 3.2Å; A170-H173 PolarHBondContact O-N 3.28Å; A170-F174 WeakPolarHBondContact O-CB 3.45Å; A170-F174 VanDerWaalsContact O-CD2 3.31Å; A170-F174 WeakPolarHBondContact O-CD2 3.28Å; A170-F174 PolarHBondContact O-N 2.88Å; A170-I176 HydrophobicContact CB-CD1 3.62Å
171	Q	96.2	Very high	96.8	Very high	28 Å²	28	45.2 Å²	45.2	13%	0.131	21%	0.206	C	C	.	.	H	α-helix	trans	-71.3	-22.2	-178	-67.6	175.8	46.2	0	0	113.3	L154 A156 S167 H173 F174 I176 R203	L154-Q171 PolarHBondContact O-NE2 3.17Å; A156-Q171 PolarHBondContact O-NE2 3.45Å; S167-Q171 VanDerWaalsContact O-CB 3.25Å; S167-Q171 WeakPolarHBondContact O-CB 3.45Å; S167-Q171 VanDerWaalsContact O-CG 3.24Å; S167-Q171 WeakPolarHBondContact O-CG 3.33Å; S167-Q171 PolarHBondContact O-N 3.46Å; Q171-H173 VanDerWaalsContact C-N 3.34Å; Q171-F174 CarbonylContact C-O 3.46Å; Q171-F174 WeakPolarHBondContact CA-O 3.36Å; Q171-F174 VanDerWaalsContact O-O 3.12Å; Q171-I176 HydrophobicContact CG-CD1 4.28Å; Q171-R203 PolarHBondContact O-NH1 2.89Å
172	F	95.2	Very high	96.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-41.9	170.9	-171.8	-117.3	0	0	0	111.5	A168 A170 P207 V209 W214 E295 L299	A168-F172 WeakPolarHBondContact O-CB 3.35Å; A168-F172 PolarHBondContact O-N 3.39Å; A170-F172 VanDerWaalsContact C-N 3.27Å; A170-F172 PolarHBondContact O-N 3.2Å; F172-P207 HydrophobicContact CD1-CB 3.85Å; F172-P207 HydrophobicContact CD1-CG 4.15Å; F172-P207 HydrophobicContact CD2-CB 4.34Å; F172-P207 HydrophobicContact CE1-CB 3.32Å; F172-P207 HydrophobicContact CE1-CG 4.11Å; F172-P207 HydrophobicContact CE2-CB 3.86Å; F172-P207 HydrophobicContact CG-CB 4.34Å; F172-P207 HydrophobicContact CG-CG 4.48Å; F172-P207 HydrophobicContact CZ-CB 3.33Å; F172-P207 HydrophobicContact CZ-CG 4.39Å; F172-P207 WeakPolarHBondContact O-CG 3.33Å; F172-V209 HydrophobicContact CE1-CB 4.2Å; F172-V209 HydrophobicContact CZ-CB 3.91Å; F172-V209 HydrophobicContact CZ-CG2 4.18Å; F172-W214 HydrophobicContact CB-CZ2 3.87Å; F172-W214 HydrophobicContact CD1-CB 4.31Å; F172-W214 AromaticContact CD1-CD1 3.43Å; F172-W214 VanDerWaalsContact CD1-CD1 3.43Å; F172-W214 AromaticContact CD1-CD2 3.73Å; F172-W214 HydrophobicContact CD1-CD2 3.73Å; F172-W214 AromaticContact CD1-CE2 3.66Å; F172-W214 AromaticContact CD1-CG 3.59Å; F172-W214 HydrophobicContact CD1-CG 3.59Å; F172-W214 HydrophobicContact CD1-CZ2 4.35Å; F172-W214 AromaticContact CD1-NE1 3.45Å; F172-W214 HydrophobicContact CD2-CD2 4.09Å; F172-W214 AromaticContact CD2-CE2 3.59Å; F172-W214 HydrophobicContact CD2-CE3 4.39Å; F172-W214 AromaticContact CD2-CH2 3.72Å; F172-W214 HydrophobicContact CD2-CH2 3.72Å; F172-W214 AromaticContact CD2-CZ2 3.41Å; F172-W214 HydrophobicContact CD2-CZ2 3.41Å; F172-W214 VanDerWaalsContact CD2-CZ2 3.41Å; F172-W214 HydrophobicContact CD2-CZ3 4.23Å; F172-W214 HydrophobicContact CE1-CB 4.06Å; F172-W214 AromaticContact CE1-CD2 3.74Å; F172-W214 HydrophobicContact CE1-CD2 3.74Å; F172-W214 HydrophobicContact CE1-CE3 4.15Å; F172-W214 AromaticContact CE1-CG 3.69Å; F172-W214 HydrophobicContact CE1-CG 3.69Å; F172-W214 HydrophobicContact CE2-CD2 4.11Å; F172-W214 HydrophobicContact CE2-CE3 4.04Å; F172-W214 AromaticContact CE2-CH2 3.81Å; F172-W214 HydrophobicContact CE2-CH2 3.81Å; F172-W214 AromaticContact CE2-CZ2 3.94Å; F172-W214 HydrophobicContact CE2-CZ2 3.94Å; F172-W214 AromaticContact CE2-CZ3 3.89Å; F172-W214 HydrophobicContact CE2-CZ3 3.89Å; F172-W214 AromaticContact CG-CD1 3.84Å; F172-W214 AromaticContact CG-CD2 3.9Å; F172-W214 HydrophobicContact CG-CD2 3.9Å; F172-W214 AromaticContact CG-CE2 3.36Å; F172-W214 HydrophobicContact CG-CG 4.17Å; F172-W214 HydrophobicContact CG-CH2 4.35Å; F172-W214 AromaticContact CG-CZ2 3.64Å; F172-W214 HydrophobicContact CG-CZ2 3.64Å; F172-W214 AromaticContact CG-NE1 3.32Å; F172-W214 VanDerWaalsContact CG-NE1 3.32Å; F172-W214 AromaticContact CZ-CD2 3.92Å; F172-W214 HydrophobicContact CZ-CD2 3.92Å; F172-W214 AromaticContact CZ-CE3 3.89Å; F172-W214 HydrophobicContact CZ-CE3 3.89Å; F172-W214 HydrophobicContact CZ-CG 4.34Å; F172-W214 HydrophobicContact CZ-CH2 4.49Å; F172-W214 HydrophobicContact CZ-CZ3 4.18Å; F172-E295 HydrophobicContact CD2-CG 4.04Å; F172-E295 HydrophobicContact CE2-CG 4.38Å; F172-L299 HydrophobicContact CE2-CD2 3.98Å; F172-L299 HydrophobicContact CE2-CG 4.41Å; F172-L299 HydrophobicContact CZ-CD2 4.22Å
173	H	94.8	Very high	96.9	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.046	17%	0.173	C	C	.	.	H	α-helix	trans	-89	-25.7	-179.3	-62.8	-68.2	0	0	0	113.5	I133 S169 A170 Q171 R203 H211	I133-H173 HydrophobicContact CG1-CB 4.18Å; S169-H173 PolarHBondContact O-CD2 3.15Å; A170-H173 PolarHBondContact O-N 3.28Å; Q171-H173 VanDerWaalsContact C-N 3.34Å; H173-R203 PolarHBondContact O-N 3.19Å; H173-H211 AromaticContact CD2-ND1 3.91Å; H173-H211 AromaticContact CE1-ND1 3.71Å; H173-H211 AromaticContact NE2-CE1 3.88Å; H173-H211 AromaticContact NE2-CG 3.86Å; H173-H211 AromaticContact NE2-ND1 2.96Å; H173-H211 PolarHBondContact NE2-ND1 3.17Å
174	F	96.4	Very high	96.7	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.5	-168.1	-51.9	-61.2	0	0	0	113.8	L132 I133 F139 A170 Q171 I176 I200 E201 P202	L132-F174 HydrophobicContact CB-CE2 4.15Å; L132-F174 HydrophobicContact CB-CZ 3.72Å; I133-F174 HydrophobicContact CB-CZ 4.44Å; I133-F174 HydrophobicContact CD1-CE2 4.39Å; I133-F174 HydrophobicContact CG1-CE2 3.48Å; I133-F174 VanDerWaalsContact CG1-CE2 3.48Å; I133-F174 HydrophobicContact CG1-CZ 3.75Å; F139-F174 HydrophobicContact CZ-CE1 4.09Å; A170-F174 WeakPolarHBondContact O-CB 3.45Å; A170-F174 VanDerWaalsContact O-CD2 3.31Å; A170-F174 WeakPolarHBondContact O-CD2 3.28Å; A170-F174 PolarHBondContact O-N 2.88Å; Q171-F174 CarbonylContact C-O 3.46Å; Q171-F174 WeakPolarHBondContact CA-O 3.36Å; Q171-F174 VanDerWaalsContact O-O 3.12Å; F174-I176 HydrophobicContact CB-CD1 4.22Å; F174-I176 HydrophobicContact CB-CG1 3.77Å; F174-I200 HydrophobicContact CB-CG2 3.56Å; F174-I200 HydrophobicContact CD1-CG2 3.77Å; F174-I200 HydrophobicContact CD2-CG2 3.66Å; F174-I200 HydrophobicContact CE1-CG2 4.44Å; F174-I200 HydrophobicContact CE2-CG2 4.29Å; F174-I200 HydrophobicContact CG-CG2 3.37Å; F174-E201 CarbonylContact C-O 3.59Å; F174-E201 WeakPolarHBondContact CA-O 3.46Å; F174-E201 WeakPolarHBondContact CB-O 3.38Å; F174-P202 HydrophobicContact CE1-CG 4.49Å
175	K	96.2	Very high	96.6	Very high	130 Å²	130	45.4 Å²	45.4	57%	0.565	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.7	156.1	-178.2	-178.3	175.4	-171.6	0	108.1	E201	K175-E201 HydrophobicContact CB-CB 4.39Å; K175-E201 PolarHBondContact N-O 2.83Å; K175-E201 PolarHBondContact O-N 3Å
176	I	97.9	Very high	96.5	Very high	18 Å²	18	42 Å²	42	9%	0.092	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.6	-175.7	-49.8	178	0	0	0	110.2	L154 T155 A170 Q171 F174 V198 R199 I200	L154-I176 HydrophobicContact CD2-CD1 4.24Å; T155-I176 HydrophobicContact CG2-CB 4.48Å; T155-I176 HydrophobicContact CG2-CG2 3.77Å; A170-I176 HydrophobicContact CB-CD1 3.62Å; Q171-I176 HydrophobicContact CG-CD1 4.28Å; F174-I176 HydrophobicContact CB-CD1 4.22Å; F174-I176 HydrophobicContact CB-CG1 3.77Å; I176-V198 HydrophobicContact CG2-CB 4.44Å; I176-R199 VanDerWaalsContact CA-O 3.3Å; I176-R199 WeakPolarHBondContact CA-O 3.48Å; I176-I200 HydrophobicContact CG1-CG1 4.49Å; I176-I200 HydrophobicContact CG1-CG2 4.36Å; I176-I200 HydrophobicContact CG2-CG1 4.23Å
177	E	97.8	Very high	96.3	Very high	103 Å²	103	41.3 Å²	41.3	48%	0.481	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.3	179.5	-173.6	-174.3	160.6	0	0	111	V198 R199	E177-V198 CarbonylContact O-C 3.57Å; E177-V198 VanDerWaalsContact O-CA 3.23Å; E177-V198 WeakPolarHBondContact O-CA 3.37Å; E177-R199 PolarHBondContact N-O 2.93Å; E177-R199 PolarHBondContact O-N 2.98Å
178	Q	98	Very high	95.9	Very high	57 Å²	57	48.5 Å²	48.5	27%	0.266	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.1	172.6	-166.5	-169.3	-93.1	0	0	110.7	A196 V198	Q178-A196 HydrophobicContact CG-CB 4Å; Q178-V198 HydrophobicContact CG-CG1 4.45Å
179	L	97.9	Very high	95.6	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.131	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-34.4	-174	-64.2	-177.1	0	0	0	114.4	K41 V143 V197 R199	K41-L179 HydrophobicContact CB-CD1 4.06Å; K41-L179 HydrophobicContact CD-CB 4.1Å; K41-L179 HydrophobicContact CD-CD1 4.49Å; K41-L179 PolarHBondContact NZ-O 3.18Å; V143-L179 HydrophobicContact CG1-CD1 3.98Å; V143-L179 HydrophobicContact CG2-CD1 4.45Å; L179-V197 HydrophobicContact CB-CB 4.48Å; L179-V197 HydrophobicContact CB-CG1 4.34Å; L179-V197 HydrophobicContact CD1-CG1 4.17Å; L179-V197 PolarHBondContact N-O 2.73Å; L179-R199 HydrophobicContact CD1-CB 3.86Å; L179-R199 HydrophobicContact CD2-CB 4.06Å; L179-R199 HydrophobicContact CG-CB 3.91Å
180	M	96.9	Very high	95.4	Very high	37 Å²	37	52.9 Å²	52.9	18%	0.182	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	155.8	179.4	57	-169.2	-68.9	0	0	112.3	V34 T37 I182 A196 V197	V34-M180 HydrophobicContact CG1-CE 4.34Å; V34-M180 HydrophobicContact CG2-CE 4.43Å; T37-M180 HydrophobicContact CG2-CE 4.04Å; T37-M180 HydrophobicContact CG2-SD 3.63Å; M180-I182 HydrophobicContact CE-CD1 3.21Å; M180-I182 HydrophobicContact CG-CD1 3.77Å; M180-I182 HydrophobicContact SD-CD1 3.97Å; M180-A196 CarbonylContact O-C 3.59Å; M180-A196 VanDerWaalsContact O-CA 3.28Å; M180-A196 WeakPolarHBondContact O-CA 3.22Å; M180-V197 HydrophobicContact CG-CB 3.77Å; M180-V197 HydrophobicContact CG-CG2 3.78Å; M180-V197 PolarHBondContact O-N 3.16Å; M180-V197 HydrophobicContact SD-CG2 4.25Å
181	K	97.6	Very high	95.2	Very high	153 Å²	153	53.2 Å²	53.2	67%	0.665	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.4	170.7	-57.3	-174.7	-175.9	173.5	0	109.9	K148	K148-K181 HydrophobicContact CD-CG 4.31Å
182	I	97.3	Very high	95	Very high	4 Å²	4	63 Å²	63	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.3	-178	-46.9	-57.1	0	0	0	109.4	V34 M145 M180 F187 S195 V197	V34-I182 HydrophobicContact CB-CD1 4.41Å; V34-I182 HydrophobicContact CG1-CD1 3.5Å; V34-I182 HydrophobicContact CG1-CG1 4.14Å; V34-I182 HydrophobicContact CG1-CG2 4.13Å; V34-I182 HydrophobicContact CG2-CD1 4.06Å; V34-I182 HydrophobicContact CG2-CG2 4.17Å; M145-I182 HydrophobicContact CE-CG1 3.97Å; M145-I182 HydrophobicContact SD-CG1 4.28Å; M180-I182 HydrophobicContact CE-CD1 3.21Å; M180-I182 HydrophobicContact CG-CD1 3.77Å; M180-I182 HydrophobicContact SD-CD1 3.97Å; I182-F187 HydrophobicContact CG2-CE2 3.86Å; I182-F187 HydrophobicContact CG2-CZ 4.24Å; I182-S195 PolarHBondContact N-O 2.97Å; I182-S195 PolarHBondContact O-N 3.46Å; I182-V197 HydrophobicContact CD1-CG2 4.19Å; I182-V197 HydrophobicContact CG1-CG2 4.15Å
183	N	97.1	Very high	95.1	Very high	80 Å²	80	65.6 Å²	65.6	43%	0.428	30%	0.304	S	S	.	.			trans	-70	139.4	175.9	-174.8	-76.4	0	0	0	111	N185 S186	N183-N185 PolarHBondContact O-N 3.22Å; N183-N185 VanDerWaalsContact OD1-CB 3.26Å; N183-N185 WeakPolarHBondContact OD1-CB 3.21Å; N183-N185 PolarHBondContact OD1-N 2.68Å; N183-N185 PolarHBondContact OD1-ND2 2.88Å; N183-S186 WeakPolarHBondContact O-CB 3.45Å; N183-S186 PolarHBondContact O-N 2.89Å; N183-S186 PolarHBondContact O-OG 3.27Å
184	R	95.1	Very high	95.2	Very high	86 Å²	86	67.8 Å²	67.8	33%	0.325	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-49.9	-27.7	176.8	66.9	-172.7	65.2	-162.9	-2.3	115.7	S186 F187 P190 P191 R192 D194	R184-S186 PolarHBondContact O-N 3.22Å; R184-F187 WeakPolarHBondContact O-CD2 3.5Å; R184-F187 PolarHBondContact O-N 3.33Å; R184-F187 VanDerWaalsContact O-N 3.16Å; R184-P190 WeakPolarHBondContact O-CB 3.44Å; R184-P191 HydrophobicContact CB-CG 4.02Å; R184-R192 VanDerWaalsContact NH1-C 3.27Å; R184-R192 PolarHBondContact NH1-O 3.05Å; R184-R192 PolarHBondContact NH2-O 3.32Å; R184-D194 IonicContact CZ-OD1 3.09Å; R184-D194 PolarHBondContact N-OD1 3.13Å; R184-D194 IonicContact NE-OD1 2.89Å; R184-D194 PolarHBondContact NE-OD1 3.37Å; R184-D194 VanDerWaalsContact NE-OD1 3.14Å; R184-D194 IonicContact NH2-OD1 3.67Å
185	N	95.1	Very high	95.3	Very high	111 Å²	111	67.7 Å²	67.7	59%	0.594	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-70.5	-10.1	179	-65.6	-25	0	0	0	112.9	K30 N183 F187	K30-N185 VanDerWaalsContact CE-O 3.28Å; K30-N185 WeakPolarHBondContact CE-O 3.4Å; N183-N185 PolarHBondContact O-N 3.22Å; N183-N185 VanDerWaalsContact OD1-CB 3.26Å; N183-N185 WeakPolarHBondContact OD1-CB 3.21Å; N183-N185 PolarHBondContact OD1-N 2.68Å; N183-N185 PolarHBondContact OD1-ND2 2.88Å; N185-F187 PolarHBondContact O-N 3.33Å
186	S	94.8	Very high	95.4	Very high	11 Å²	11	61.5 Å²	61.5	8%	0.077	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-70.8	-6.7	171.3	-55.6	0	0	0	0	113.2	K30 N31 N183 R184	K30-S186 WeakPolarHBondContact CG-O 3.25Å; K30-S186 PolarHBondContact N-O 3.39Å; N31-S186 PolarHBondContact N-O 3.23Å; N183-S186 WeakPolarHBondContact O-CB 3.45Å; N183-S186 PolarHBondContact O-N 2.89Å; N183-S186 PolarHBondContact O-OG 3.27Å; R184-S186 PolarHBondContact O-N 3.22Å
187	F	92.4	Very high	95.4	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.7	-176.6	-57.1	-97.4	0	0	0	113	H27 I28 L29 M145 I182 R184 N185 P191	H27-F187 HydrophobicContact CB-CB 4.39Å; H27-F187 HydrophobicContact CB-CD1 4.23Å; I28-F187 CarbonylContact O-C 3.44Å; I28-F187 WeakPolarHBondContact O-CA 3.42Å; L29-F187 HydrophobicContact CB-CD1 4.11Å; L29-F187 HydrophobicContact CB-CE1 4.07Å; L29-F187 HydrophobicContact CD1-CD1 4.33Å; L29-F187 HydrophobicContact CD1-CE1 4.04Å; L29-F187 HydrophobicContact CD1-CZ 4.22Å; M145-F187 HydrophobicContact SD-CE1 3.8Å; M145-F187 HydrophobicContact SD-CZ 3.38Å; M145-F187 WeakPolarHBondContact SD-CZ 3.42Å; I182-F187 HydrophobicContact CG2-CE2 3.86Å; I182-F187 HydrophobicContact CG2-CZ 4.24Å; R184-F187 WeakPolarHBondContact O-CD2 3.5Å; R184-F187 PolarHBondContact O-N 3.33Å; R184-F187 VanDerWaalsContact O-N 3.16Å; N185-F187 PolarHBondContact O-N 3.33Å; F187-P191 HydrophobicContact CD2-CG 4.07Å; F187-P191 HydrophobicContact CE2-CG 4.5Å; F187-P191 HydrophobicContact CG-CG 4.38Å
188	R	89.8	Confident	95.4	Very high	151 Å²	151	55.7 Å²	55.7	57%	0.57	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.5	171	-173	173.6	179.6	131.1	0.8	111.3	I28 K30	I28-R188 PolarHBondContact N-O 3.16Å; I28-R188 PolarHBondContact O-N 3.34Å; K30-R188 HydrophobicContact CD-CB 4.12Å; K30-R188 HydrophobicContact CG-CB 4.45Å
189	P	89.5	Confident	95.4	Very high	25 Å²	25	54.9 Å²	54.9	16%	0.162	26%	0.255	C	S	.	.	S	Bend	cis	-60.6	155.7	-18.3	29.6	-34.8	0	0	0	111.1	K22 H27	K22-P189 HydrophobicContact CG-CG 4.28Å; H27-P189 PolarHBondContact ND1-O 2.99Å
190	P	91.1	Very high	95.4	Very high	73 Å²	73	53.7 Å²	53.7	47%	0.474	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-66.2	138	178.6	27.4	-34.2	0	0	0	111.3	R184	R184-P190 WeakPolarHBondContact O-CB 3.44Å
191	P	92.1	Very high	95.4	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.052	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-71.8	169.2	171	30	-35.5	0	0	0	112.1	Y122 R184 F187 V193	Y122-P191 HydrophobicContact CE2-CB 3.94Å; R184-P191 HydrophobicContact CB-CG 4.02Å; F187-P191 HydrophobicContact CD2-CG 4.07Å; F187-P191 HydrophobicContact CE2-CG 4.5Å; F187-P191 HydrophobicContact CG-CG 4.38Å; P191-V193 VanDerWaalsContact C-N 3.28Å; P191-V193 WeakPolarHBondContact CG-O 3.12Å; P191-V193 PolarHBondContact O-N 3.18Å
192	R	93.2	Very high	95.3	Very high	234 Å²	234	47.5 Å²	47.5	88%	0.883	22%	0.223	S	C	*	.	S	Bend	trans	-77.7	-10.8	177.1	-66.8	-174.7	-180	175.7	-0.7	114.3	R184	R184-R192 VanDerWaalsContact NH1-C 3.27Å; R184-R192 PolarHBondContact NH1-O 3.05Å; R184-R192 PolarHBondContact NH2-O 3.32Å
193	V	95.8	Very high	95.1	Very high	55 Å²	55	51.5 Å²	51.5	33%	0.333	24%	0.238	S	C	.	.	S	Bend	trans	-135.3	157.7	-175.6	-62.8	0	0	0	0	109.7	Q147 P191	Q147-V193 HydrophobicContact CB-CG2 4.4Å; Q147-V193 HydrophobicContact CG-CG2 4.14Å; P191-V193 VanDerWaalsContact C-N 3.28Å; P191-V193 WeakPolarHBondContact CG-O 3.12Å; P191-V193 PolarHBondContact O-N 3.18Å
194	D	97.7	Very high	94.7	Very high	57 Å²	57	54.7 Å²	54.7	31%	0.305	25%	0.25	S	C	.	.			trans	-77.1	167	172.3	-65.9	-24.8	0	0	0	111	K148 R184	K148-D194 HydrophobicContact CB-CB 4.37Å; K148-D194 VanDerWaalsContact CB-O 3.29Å; K148-D194 WeakPolarHBondContact CB-O 3.34Å; K148-D194 PolarHBondContact N-O 3.29Å; R184-D194 IonicContact CZ-OD1 3.09Å; R184-D194 PolarHBondContact N-OD1 3.13Å; R184-D194 IonicContact NE-OD1 2.89Å; R184-D194 PolarHBondContact NE-OD1 3.37Å; R184-D194 VanDerWaalsContact NE-OD1 3.14Å; R184-D194 IonicContact NH2-OD1 3.67Å
195	S	97.7	Very high	94.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	167.9	179	-59.3	0	0	0	0	111.3	Y122 L146 I182	Y122-S195 PolarHBondContact OH-OG 2.83Å; L146-S195 CarbonylContact O-C 3.59Å; L146-S195 WeakPolarHBondContact O-CA 3.42Å; L146-S195 VanDerWaalsContact O-CB 3.24Å; L146-S195 WeakPolarHBondContact O-CB 3.46Å; I182-S195 PolarHBondContact N-O 2.97Å; I182-S195 PolarHBondContact O-N 3.46Å
196	A	98	Very high	93.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.2	168.3	0	0	0	0	0	110.1	M145 L146 K148 A151 Q178 M180	M145-A196 WeakPolarHBondContact CA-O 3.39Å; L146-A196 PolarHBondContact N-O 3.09Å; L146-A196 PolarHBondContact O-N 3.45Å; K148-A196 HydrophobicContact CD-CB 3.7Å; A151-A196 HydrophobicContact CB-CB 3.77Å; Q178-A196 HydrophobicContact CG-CB 4Å; M180-A196 CarbonylContact O-C 3.59Å; M180-A196 VanDerWaalsContact O-CA 3.28Å; M180-A196 WeakPolarHBondContact O-CA 3.22Å
197	V	98.3	Very high	93.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.9	169.2	-179.7	0	0	0	0	107.9	M38 V143 V144 M145 L179 M180 I182	M38-V197 HydrophobicContact CG-CG1 4.26Å; V143-V197 HydrophobicContact CG1-CG1 3.54Å; V144-V197 WeakPolarHBondContact O-CA 3.25Å; M145-V197 HydrophobicContact CB-CG2 4.44Å; M145-V197 HydrophobicContact CE-CG2 3.88Å; M145-V197 HydrophobicContact CG-CG2 4.37Å; L179-V197 HydrophobicContact CB-CB 4.48Å; L179-V197 HydrophobicContact CB-CG1 4.34Å; L179-V197 HydrophobicContact CD1-CG1 4.17Å; L179-V197 PolarHBondContact N-O 2.73Å; M180-V197 HydrophobicContact CG-CB 3.77Å; M180-V197 HydrophobicContact CG-CG2 3.78Å; M180-V197 PolarHBondContact O-N 3.16Å; M180-V197 HydrophobicContact SD-CG2 4.25Å; I182-V197 HydrophobicContact CD1-CG2 4.19Å; I182-V197 HydrophobicContact CG1-CG2 4.15Å
198	V	98.5	Very high	93.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.8	174.1	-60.4	0	0	0	0	110.4	V143 V144 L146 A151 I176 E177 Q178 I200	V143-V198 CarbonylContact C-O 3.6Å; V143-V198 WeakPolarHBondContact CA-O 3.31Å; V144-V198 HydrophobicContact CG2-CG2 3.65Å; V144-V198 PolarHBondContact N-O 3.42Å; V144-V198 PolarHBondContact O-N 3.2Å; L146-V198 HydrophobicContact CD1-CG2 3.45Å; L146-V198 VanDerWaalsContact CD1-CG2 3.45Å; L146-V198 HydrophobicContact CG-CG2 4.32Å; A151-V198 HydrophobicContact CB-CG1 3.65Å; I176-V198 HydrophobicContact CG2-CB 4.44Å; E177-V198 CarbonylContact O-C 3.57Å; E177-V198 VanDerWaalsContact O-CA 3.23Å; E177-V198 WeakPolarHBondContact O-CA 3.37Å; Q178-V198 HydrophobicContact CG-CG1 4.45Å; V198-I200 HydrophobicContact CG2-CD1 4.1Å; V198-I200 HydrophobicContact CG2-CG1 4.07Å
199	R	98.5	Very high	93.3	Very high	40 Å²	40	55.1 Å²	55.1	15%	0.151	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.6	168.5	-177	172.1	-179.9	83.9	7.7	108.6	S42 A141 A142 V143 I176 E177 L179 E201	S42-R199 PolarHBondContact O-NH1 3.17Å; A141-R199 HydrophobicContact CB-CG 4.46Å; A142-R199 CarbonylContact O-C 3.57Å; A142-R199 WeakPolarHBondContact O-CA 3.2Å; V143-R199 HydrophobicContact CG2-CB 4.41Å; V143-R199 HydrophobicContact CG2-CG 4.22Å; I176-R199 VanDerWaalsContact CA-O 3.3Å; I176-R199 WeakPolarHBondContact CA-O 3.48Å; E177-R199 PolarHBondContact N-O 2.93Å; E177-R199 PolarHBondContact O-N 2.98Å; L179-R199 HydrophobicContact CD1-CB 3.86Å; L179-R199 HydrophobicContact CD2-CB 4.06Å; L179-R199 HydrophobicContact CG-CB 3.91Å; R199-E201 HydrophobicContact CG-CG 4.17Å; R199-E201 IonicContact CZ-OE1 2.67Å; R199-E201 IonicContact NE-OE1 2.87Å; R199-E201 PolarHBondContact NE-OE1 3.49Å; R199-E201 IonicContact NH2-OE1 2.77Å; R199-E201 PolarHBondContact NH2-OE1 3.36Å
200	I	98.1	Very high	93.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	112.9	-177.8	-54.5	173.2	0	0	0	106.9	I129 L132 A141 A142 V144 F174 I176 V198	I129-I200 HydrophobicContact CD1-CD1 3.49Å; I129-I200 VanDerWaalsContact CD1-CD1 3.49Å; L132-I200 HydrophobicContact CD1-CD1 4.09Å; L132-I200 HydrophobicContact CD1-CG2 4.28Å; A141-I200 CarbonylContact C-O 3.56Å; A141-I200 VanDerWaalsContact CA-O 3.3Å; A141-I200 WeakPolarHBondContact CA-O 3.23Å; A142-I200 HydrophobicContact CB-CB 4.3Å; A142-I200 PolarHBondContact N-O 3.32Å; A142-I200 PolarHBondContact O-N 2.8Å; V144-I200 HydrophobicContact CG2-CD1 4.01Å; F174-I200 HydrophobicContact CB-CG2 3.56Å; F174-I200 HydrophobicContact CD1-CG2 3.77Å; F174-I200 HydrophobicContact CD2-CG2 3.66Å; F174-I200 HydrophobicContact CE1-CG2 4.44Å; F174-I200 HydrophobicContact CE2-CG2 4.29Å; F174-I200 HydrophobicContact CG-CG2 3.37Å; I176-I200 HydrophobicContact CG1-CG1 4.49Å; I176-I200 HydrophobicContact CG1-CG2 4.36Å; I176-I200 HydrophobicContact CG2-CG1 4.23Å; V198-I200 HydrophobicContact CG2-CD1 4.1Å; V198-I200 HydrophobicContact CG2-CG1 4.07Å
201	E	96.8	Very high	93.4	Very high	50 Å²	50	59.1 Å²	59.1	23%	0.234	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.2	179.6	-62.2	-178	157.4	0	0	109.8	A141 F174 K175 R199 R203	A141-E201 HydrophobicContact CB-CG 3.99Å; F174-E201 CarbonylContact C-O 3.59Å; F174-E201 WeakPolarHBondContact CA-O 3.46Å; F174-E201 WeakPolarHBondContact CB-O 3.38Å; K175-E201 HydrophobicContact CB-CB 4.39Å; K175-E201 PolarHBondContact N-O 2.83Å; K175-E201 PolarHBondContact O-N 3Å; R199-E201 HydrophobicContact CG-CG 4.17Å; R199-E201 IonicContact CZ-OE1 2.67Å; R199-E201 IonicContact NE-OE1 2.87Å; R199-E201 PolarHBondContact NE-OE1 3.49Å; R199-E201 IonicContact NH2-OE1 2.77Å; R199-E201 PolarHBondContact NH2-OE1 3.36Å; E201-R203 PolarHBondContact O-N 3.48Å
202	P	95.7	Very high	93.5	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.058	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	136.1	168.9	-20.8	33.8	0	0	0	111.2	H137 F139 F174	H137-P202 HydrophobicContact CB-CB 3.93Å; H137-P202 VanDerWaalsContact CD2-CB 3.46Å; H137-P202 WeakPolarHBondContact CD2-CB 3.47Å; F139-P202 HydrophobicContact CD1-CG 4.47Å; F139-P202 HydrophobicContact CD2-CG 4Å; F139-P202 HydrophobicContact CE1-CG 4.1Å; F139-P202 HydrophobicContact CE2-CG 3.58Å; F139-P202 HydrophobicContact CG-CG 4.42Å; F139-P202 HydrophobicContact CZ-CG 3.62Å; F139-P202 WeakPolarHBondContact O-CG 3.4Å; F174-P202 HydrophobicContact CE1-CG 4.49Å
203	R	92.5	Very high	93.6	Very high	88 Å²	88	51.2 Å²	51.2	33%	0.332	27%	0.274	S	S	.	.			trans	-74.1	147.2	176.7	-75	179.5	71.3	175.8	-8	111.5	Q171 H173 E201 P205 E295	Q171-R203 PolarHBondContact O-NH1 2.89Å; H173-R203 PolarHBondContact O-N 3.19Å; E201-R203 PolarHBondContact O-N 3.48Å; R203-P205 CarbonylContact C-O 3.48Å; R203-E295 IonicContact CZ-OE1 2.94Å; R203-E295 VanDerWaalsContact CZ-OE1 3.31Å; R203-E295 IonicContact CZ-OE2 3.53Å; R203-E295 IonicContact NH1-OE1 3.65Å; R203-E295 PolarHBondContact NH1-OE1 3.02Å; R203-E295 IonicContact NH1-OE2 3.74Å; R203-E295 PolarHBondContact NH1-OE2 2.7Å; R203-E295 IonicContact NH2-OE1 3.56Å; R203-E295 PolarHBondContact NH2-OE1 3.09Å
204	H	88.8	Confident	93.6	Very high	148 Å²	148	48.6 Å²	48.6	69%	0.685	26%	0.258	S	S	*	.	S	Bend	trans	-130.6	126.9	169.5	-64	-69.7	0	0	0	109.1
205	P	89.2	Confident	93.5	Very high	118 Å²	118	46.5 Å²	46.5	77%	0.766	25%	0.247	S	C	*	.	S	Bend	cis	-66.1	167	-3.8	31.4	-36.5	0	0	0	112.6	R203	R203-P205 CarbonylContact C-O 3.48Å
206	L	83.2	Confident	93.5	Very high	96 Å²	96	47.1 Å²	47.1	50%	0.503	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-64	147	176.4	-60.1	-176	0	0	0	110.6	H137	H137-L206 HydrophobicContact CB-CD2 4.02Å; H137-L206 WeakPolarHBondContact CD2-CD2 3.25Å; H137-L206 WeakPolarHBondContact ND1-CD2 3.3Å; H137-L206 WeakPolarHBondContact NE2-CD2 3.1Å
207	P	86.1	Confident	93.5	Very high	23 Å²	23	47.1 Å²	47.1	15%	0.149	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-59.2	136.7	173.7	-22.1	33.6	0	0	0	111	F172 V209	F172-P207 HydrophobicContact CD1-CB 3.85Å; F172-P207 HydrophobicContact CD1-CG 4.15Å; F172-P207 HydrophobicContact CD2-CB 4.34Å; F172-P207 HydrophobicContact CE1-CB 3.32Å; F172-P207 HydrophobicContact CE1-CG 4.11Å; F172-P207 HydrophobicContact CE2-CB 3.86Å; F172-P207 HydrophobicContact CG-CB 4.34Å; F172-P207 HydrophobicContact CG-CG 4.48Å; F172-P207 HydrophobicContact CZ-CB 3.33Å; F172-P207 HydrophobicContact CZ-CG 4.39Å; F172-P207 WeakPolarHBondContact O-CG 3.33Å; P207-V209 PolarHBondContact O-N 3.13Å
208	P	86.1	Confident	93.5	Very high	116 Å²	116	47.1 Å²	47.1	75%	0.753	25%	0.253	S	S	*	.	S	Bend	trans	-76.1	8.4	-171.7	31	-36	0	0	0	113.9
209	V	92.1	Very high	93.4	Very high	18 Å²	18	53.8 Å²	53.8	11%	0.109	28%	0.278	C	S	.	.	S	Bend	trans	-125.2	135.7	-171.7	-176.7	0	0	0	0	109.5	F172 P207 E213 W214 L299 L302	F172-V209 HydrophobicContact CE1-CB 4.2Å; F172-V209 HydrophobicContact CZ-CB 3.91Å; F172-V209 HydrophobicContact CZ-CG2 4.18Å; P207-V209 PolarHBondContact O-N 3.13Å; V209-E213 HydrophobicContact CG1-CB 3.76Å; V209-W214 HydrophobicContact CG1-CB 4.3Å; V209-L299 HydrophobicContact CG2-CD2 3.77Å; V209-L302 HydrophobicContact CB-CD2 4.3Å; V209-L302 HydrophobicContact CG1-CD2 3.41Å; V209-L302 VanDerWaalsContact CG1-CD2 3.41Å; V209-L302 HydrophobicContact CG2-CD2 3.89Å
210	M	91.6	Very high	93.3	Very high	129 Å²	129	53.1 Å²	53.1	64%	0.635	28%	0.277	S	S	*	.			trans	-58.6	141.4	172.4	-66.9	-61	97.2	0	0	111.2	S212 E213 W214	M210-S212 VanDerWaalsContact C-N 3.27Å; M210-S212 PolarHBondContact O-N 3.28Å; M210-E213 HydrophobicContact CB-CG 4.27Å; M210-E213 WeakPolarHBondContact O-CB 3.3Å; M210-E213 PolarHBondContact O-N 2.83Å; M210-W214 PolarHBondContact O-N 3.12Å; M210-W214 VanDerWaalsContact O-N 3.12Å
211	H	91.9	Very high	93.3	Very high	53 Å²	53	53.1 Å²	53.1	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-37.4	-177.6	174.9	64.1	0	0	0	112.9	I133 H173 W214 D215	I133-H211 HydrophobicContact CG2-CB 4.31Å; H173-H211 AromaticContact CD2-ND1 3.91Å; H173-H211 AromaticContact CE1-ND1 3.71Å; H173-H211 AromaticContact NE2-CE1 3.88Å; H173-H211 AromaticContact NE2-CG 3.86Å; H173-H211 AromaticContact NE2-ND1 2.96Å; H173-H211 PolarHBondContact NE2-ND1 3.17Å; H211-W214 PolarHBondContact O-N 2.64Å; H211-D215 WeakPolarHBondContact O-CB 3.14Å; H211-D215 PolarHBondContact O-N 3.23Å
212	S	93.4	Very high	93.3	Very high	58 Å²	58	51.8 Å²	51.8	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-46.8	178.4	52.1	0	0	0	0	112.2	M210 W214 D215 G216	M210-S212 VanDerWaalsContact C-N 3.27Å; M210-S212 PolarHBondContact O-N 3.28Å; S212-W214 PolarHBondContact O-N 3.11Å; S212-D215 PolarHBondContact O-N 3.03Å; S212-G216 PolarHBondContact O-N 3.03Å
213	E	95.6	Very high	93.4	Very high	17 Å²	17	54.6 Å²	54.6	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-47.8	175.4	-72.4	-75.3	103.9	0	0	111.6	V209 M210 L217 K306 N311 F312 G313	V209-E213 HydrophobicContact CG1-CB 3.76Å; M210-E213 HydrophobicContact CB-CG 4.27Å; M210-E213 WeakPolarHBondContact O-CB 3.3Å; M210-E213 PolarHBondContact O-N 2.83Å; E213-L217 PolarHBondContact O-N 3.46Å; E213-L217 VanDerWaalsContact O-N 3.11Å; E213-K306 WeakPolarHBondContact OE2-CE 3.4Å; E213-K306 IonicContact OE2-NZ 2.67Å; E213-K306 PolarHBondContact OE2-NZ 3.05Å; E213-N311 WeakPolarHBondContact OE1-CB 3.37Å; E213-F312 PolarHBondContact OE1-N 2.87Å; E213-G313 WeakPolarHBondContact OE1-CA 3.49Å; E213-G313 PolarHBondContact OE1-N 2.91Å
214	W	96.2	Very high	93.5	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-50.2	-180	-174.7	-111.4	0	0	0	111.8	F172 V209 M210 H211 S212 G216 L217 L218 E295 F298 L299 L302	F172-W214 HydrophobicContact CB-CZ2 3.87Å; F172-W214 HydrophobicContact CD1-CB 4.31Å; F172-W214 AromaticContact CD1-CD1 3.43Å; F172-W214 VanDerWaalsContact CD1-CD1 3.43Å; F172-W214 AromaticContact CD1-CD2 3.73Å; F172-W214 HydrophobicContact CD1-CD2 3.73Å; F172-W214 AromaticContact CD1-CE2 3.66Å; F172-W214 AromaticContact CD1-CG 3.59Å; F172-W214 HydrophobicContact CD1-CG 3.59Å; F172-W214 HydrophobicContact CD1-CZ2 4.35Å; F172-W214 AromaticContact CD1-NE1 3.45Å; F172-W214 HydrophobicContact CD2-CD2 4.09Å; F172-W214 AromaticContact CD2-CE2 3.59Å; F172-W214 HydrophobicContact CD2-CE3 4.39Å; F172-W214 AromaticContact CD2-CH2 3.72Å; F172-W214 HydrophobicContact CD2-CH2 3.72Å; F172-W214 AromaticContact CD2-CZ2 3.41Å; F172-W214 HydrophobicContact CD2-CZ2 3.41Å; F172-W214 VanDerWaalsContact CD2-CZ2 3.41Å; F172-W214 HydrophobicContact CD2-CZ3 4.23Å; F172-W214 HydrophobicContact CE1-CB 4.06Å; F172-W214 AromaticContact CE1-CD2 3.74Å; F172-W214 HydrophobicContact CE1-CD2 3.74Å; F172-W214 HydrophobicContact CE1-CE3 4.15Å; F172-W214 AromaticContact CE1-CG 3.69Å; F172-W214 HydrophobicContact CE1-CG 3.69Å; F172-W214 HydrophobicContact CE2-CD2 4.11Å; F172-W214 HydrophobicContact CE2-CE3 4.04Å; F172-W214 AromaticContact CE2-CH2 3.81Å; F172-W214 HydrophobicContact CE2-CH2 3.81Å; F172-W214 AromaticContact CE2-CZ2 3.94Å; F172-W214 HydrophobicContact CE2-CZ2 3.94Å; F172-W214 AromaticContact CE2-CZ3 3.89Å; F172-W214 HydrophobicContact CE2-CZ3 3.89Å; F172-W214 AromaticContact CG-CD1 3.84Å; F172-W214 AromaticContact CG-CD2 3.9Å; F172-W214 HydrophobicContact CG-CD2 3.9Å; F172-W214 AromaticContact CG-CE2 3.36Å; F172-W214 HydrophobicContact CG-CG 4.17Å; F172-W214 HydrophobicContact CG-CH2 4.35Å; F172-W214 AromaticContact CG-CZ2 3.64Å; F172-W214 HydrophobicContact CG-CZ2 3.64Å; F172-W214 AromaticContact CG-NE1 3.32Å; F172-W214 VanDerWaalsContact CG-NE1 3.32Å; F172-W214 AromaticContact CZ-CD2 3.92Å; F172-W214 HydrophobicContact CZ-CD2 3.92Å; F172-W214 AromaticContact CZ-CE3 3.89Å; F172-W214 HydrophobicContact CZ-CE3 3.89Å; F172-W214 HydrophobicContact CZ-CG 4.34Å; F172-W214 HydrophobicContact CZ-CH2 4.49Å; F172-W214 HydrophobicContact CZ-CZ3 4.18Å; V209-W214 HydrophobicContact CG1-CB 4.3Å; M210-W214 PolarHBondContact O-N 3.12Å; M210-W214 VanDerWaalsContact O-N 3.12Å; H211-W214 PolarHBondContact O-N 2.64Å; S212-W214 PolarHBondContact O-N 3.11Å; W214-G216 VanDerWaalsContact C-N 3.34Å; W214-G216 PolarHBondContact O-N 3.21Å; W214-L217 PolarHBondContact O-N 3.19Å; W214-L218 HydrophobicContact CD2-CG 4.49Å; W214-L218 HydrophobicContact CG-CD1 4.48Å; W214-L218 HydrophobicContact CZ2-CD1 4.46Å; W214-L218 VanDerWaalsContact NE1-CD1 3.33Å; W214-L218 WeakPolarHBondContact O-CB 3.35Å; W214-L218 VanDerWaalsContact O-CG 3.31Å; W214-L218 WeakPolarHBondContact O-CG 3.41Å; W214-L218 PolarHBondContact O-N 3.38Å; W214-E295 HydrophobicContact CH2-CG 4.46Å; W214-F298 HydrophobicContact CH2-CB 3.38Å; W214-F298 HydrophobicContact CH2-CD2 4.38Å; W214-F298 HydrophobicContact CH2-CG 4.28Å; W214-F298 HydrophobicContact CZ2-CB 4.21Å; W214-F298 HydrophobicContact CZ3-CB 3.73Å; W214-L299 HydrophobicContact CH2-CG 4.33Å; W214-L299 HydrophobicContact CZ3-CD2 3.87Å; W214-L299 HydrophobicContact CZ3-CG 4.04Å; W214-L302 HydrophobicContact CE3-CD2 4.49Å
215	D	95.9	Very high	93.6	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-36.8	180	-174.5	65.4	0	0	0	112.6	R165 H211 S212 L218 R219	R165-D215 IonicContact CZ-OD1 3.31Å; R165-D215 VanDerWaalsContact CZ-OD1 3.3Å; R165-D215 IonicContact CZ-OD2 2.68Å; R165-D215 IonicContact NE-OD1 2.84Å; R165-D215 PolarHBondContact NE-OD1 3.49Å; R165-D215 VanDerWaalsContact NE-OD1 3.09Å; R165-D215 IonicContact NH2-OD1 3.52Å; R165-D215 PolarHBondContact NH2-OD1 2.76Å; R165-D215 IonicContact NH2-OD2 2.69Å; R165-D215 PolarHBondContact NH2-OD2 2.87Å; H211-D215 WeakPolarHBondContact O-CB 3.14Å; H211-D215 PolarHBondContact O-N 3.23Å; S212-D215 PolarHBondContact O-N 3.03Å; D215-L218 PolarHBondContact O-N 3.02Å; D215-R219 WeakPolarHBondContact O-CB 3.05Å; D215-R219 PolarHBondContact O-N 2.87Å; D215-R219 IonicContact OD2-CZ 3.48Å; D215-R219 IonicContact OD2-NE 2.8Å; D215-R219 IonicContact OD2-NH2 3.5Å; D215-R219 PolarHBondContact OD2-NH2 3.47Å
216	G	96.7	Very high	93.6	Very high	12 Å²	12	51.5 Å²	51.5	12%	0.124	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-49.5	175.5	0	0	0	0	0	111.9	S212 W214 R219 L220	S212-G216 PolarHBondContact O-N 3.03Å; W214-G216 VanDerWaalsContact C-N 3.34Å; W214-G216 PolarHBondContact O-N 3.21Å; G216-R219 WeakPolarHBondContact O-CB 2.96Å; G216-R219 PolarHBondContact O-N 2.67Å; G216-L220 PolarHBondContact O-N 2.9Å
217	L	98.1	Very high	94.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-49.7	173.7	175.3	64.9	0	0	0	111.2	E213 W214 R219 L220 V221 F233 L301 L302 F312	E213-L217 PolarHBondContact O-N 3.46Å; E213-L217 VanDerWaalsContact O-N 3.11Å; W214-L217 PolarHBondContact O-N 3.19Å; L217-R219 PolarHBondContact O-N 3.12Å; L217-L220 PolarHBondContact O-N 3.47Å; L217-L220 VanDerWaalsContact O-N 3.09Å; L217-V221 HydrophobicContact CD1-CG1 3.89Å; L217-V221 HydrophobicContact CG-CG1 4.26Å; L217-V221 PolarHBondContact O-N 3.04Å; L217-F233 HydrophobicContact CD1-CZ 3.93Å; L217-L301 HydrophobicContact CD1-CD2 4.05Å; L217-L301 HydrophobicContact CD1-CG 4.22Å; L217-L302 HydrophobicContact CD2-CB 3.77Å; L217-L302 HydrophobicContact CD2-CD1 4.22Å; L217-L302 HydrophobicContact CD2-CG 4.49Å; L217-F312 HydrophobicContact CB-CD2 3.99Å; L217-F312 HydrophobicContact CB-CE2 4.28Å; L217-F312 HydrophobicContact CB-CG 4.1Å; L217-F312 HydrophobicContact CD1-CD2 4.37Å; L217-F312 HydrophobicContact CD1-CE1 4.18Å; L217-F312 HydrophobicContact CD1-CE2 3.8Å; L217-F312 HydrophobicContact CD1-CZ 3.7Å
218	L	97.7	Very high	94.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-33.1	-177.4	-72.9	-168.6	0	0	0	112.5	R165 A168 W214 D215 L220 V221 F222 F298	R165-L218 HydrophobicContact CG-CB 4.15Å; A168-L218 HydrophobicContact CB-CD1 3.77Å; A168-L218 HydrophobicContact CB-CD2 4.08Å; W214-L218 HydrophobicContact CD2-CG 4.49Å; W214-L218 HydrophobicContact CG-CD1 4.48Å; W214-L218 HydrophobicContact CZ2-CD1 4.46Å; W214-L218 VanDerWaalsContact NE1-CD1 3.33Å; W214-L218 WeakPolarHBondContact O-CB 3.35Å; W214-L218 VanDerWaalsContact O-CG 3.31Å; W214-L218 WeakPolarHBondContact O-CG 3.41Å; W214-L218 PolarHBondContact O-N 3.38Å; D215-L218 PolarHBondContact O-N 3.02Å; L218-L220 VanDerWaalsContact C-N 3.33Å; L218-L220 PolarHBondContact O-N 3.48Å; L218-V221 HydrophobicContact CD2-CG2 4.06Å; L218-V221 WeakPolarHBondContact O-CG2 3.44Å; L218-F222 HydrophobicContact CB-CD2 4.49Å; L218-F222 HydrophobicContact CD2-CD2 4.18Å; L218-F222 HydrophobicContact CD2-CE2 3.99Å; L218-F222 WeakPolarHBondContact O-CB 3.5Å; L218-F222 PolarHBondContact O-N 2.91Å; L218-F298 HydrophobicContact CD2-CD1 4.1Å; L218-F298 HydrophobicContact CD2-CD2 4.13Å; L218-F298 HydrophobicContact CD2-CE1 4.22Å; L218-F298 HydrophobicContact CD2-CE2 4.27Å; L218-F298 HydrophobicContact CD2-CG 4.07Å; L218-F298 HydrophobicContact CD2-CZ 4.32Å
219	R	97	Very high	95.4	Very high	141 Å²	141	48.1 Å²	48.1	53%	0.532	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-40.7	176.5	-172.3	-179.8	-51.6	-148.8	2.3	112.1	D215 G216 L217 A223	D215-R219 WeakPolarHBondContact O-CB 3.05Å; D215-R219 PolarHBondContact O-N 2.87Å; D215-R219 IonicContact OD2-CZ 3.48Å; D215-R219 IonicContact OD2-NE 2.8Å; D215-R219 IonicContact OD2-NH2 3.5Å; D215-R219 PolarHBondContact OD2-NH2 3.47Å; G216-R219 WeakPolarHBondContact O-CB 2.96Å; G216-R219 PolarHBondContact O-N 2.67Å; L217-R219 PolarHBondContact O-N 3.12Å; R219-A223 PolarHBondContact O-N 2.96Å
220	L	97.5	Very high	95.7	Very high	26 Å²	26	48.1 Å²	48.1	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-74.3	-52.9	178.4	-64.5	174.5	0	0	0	110.9	G216 L217 L218 F222 A223 N232 F233 I238 L242 F312	G216-L220 PolarHBondContact O-N 2.9Å; L217-L220 PolarHBondContact O-N 3.47Å; L217-L220 VanDerWaalsContact O-N 3.09Å; L218-L220 VanDerWaalsContact C-N 3.33Å; L218-L220 PolarHBondContact O-N 3.48Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 PolarHBondContact O-N 3.21Å; L220-A223 VanDerWaalsContact O-CB 3.28Å; L220-A223 WeakPolarHBondContact O-CB 3.23Å; L220-A223 PolarHBondContact O-N 3.28Å; L220-A223 VanDerWaalsContact O-N 3.11Å; L220-N232 WeakPolarHBondContact O-CB 3.37Å; L220-F233 HydrophobicContact CB-CD2 4.45Å; L220-F233 HydrophobicContact CB-CE1 4.48Å; L220-F233 HydrophobicContact CB-CE2 3.83Å; L220-F233 HydrophobicContact CB-CZ 3.86Å; L220-F233 HydrophobicContact CD1-CD1 4.46Å; L220-F233 HydrophobicContact CD1-CE1 3.85Å; L220-F233 HydrophobicContact CD1-CZ 3.96Å; L220-I238 HydrophobicContact CD1-CG2 4.48Å; L220-I238 HydrophobicContact CD2-CD1 4.25Å; L220-I238 HydrophobicContact CD2-CG1 4.4Å; L220-I238 HydrophobicContact CD2-CG2 4.11Å; L220-L242 HydrophobicContact CD1-CD1 4.3Å; L220-L242 HydrophobicContact CD1-CD2 4.36Å; L220-F312 HydrophobicContact CD1-CD1 3.75Å; L220-F312 HydrophobicContact CD1-CE1 3.55Å
221	V	97.5	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-34.4	-176.3	-56.5	0	0	0	0	112.4	L217 L218 I229 N232 F233 A290 F298 L301	L217-V221 HydrophobicContact CD1-CG1 3.89Å; L217-V221 HydrophobicContact CG-CG1 4.26Å; L217-V221 PolarHBondContact O-N 3.04Å; L218-V221 HydrophobicContact CD2-CG2 4.06Å; L218-V221 WeakPolarHBondContact O-CG2 3.44Å; V221-I229 HydrophobicContact CG1-CG1 4.48Å; V221-I229 HydrophobicContact CG1-CG2 4.41Å; V221-N232 PolarHBondContact O-ND2 3.24Å; V221-F233 HydrophobicContact CG1-CE2 3.82Å; V221-F233 HydrophobicContact CG1-CZ 4.34Å; V221-A290 HydrophobicContact CB-CB 4.23Å; V221-A290 HydrophobicContact CG2-CB 4.3Å; V221-A290 VanDerWaalsContact O-CB 3.3Å; V221-A290 WeakPolarHBondContact O-CB 3.25Å; V221-F298 HydrophobicContact CB-CE1 4.3Å; V221-F298 HydrophobicContact CG2-CD1 4.26Å; V221-F298 HydrophobicContact CG2-CE1 3.68Å; V221-F298 HydrophobicContact CG2-CZ 4.43Å; V221-L301 HydrophobicContact CG1-CD2 3.74Å
222	F	97.5	Very high	96.3	Very high	21 Å²	21	40.8 Å²	40.8	9%	0.092	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.2	178.2	-77.4	-78.4	0	0	0	114.8	Y163 R165 A168 L218 L220 R224 K225 A290 F298	Y163-F222 HydrophobicContact CD1-CE1 4.34Å; Y163-F222 HydrophobicContact CD1-CZ 4.16Å; Y163-F222 HydrophobicContact CE1-CE1 4.33Å; Y163-F222 AromaticContact CE1-CZ 3.7Å; Y163-F222 HydrophobicContact CE1-CZ 3.7Å; R165-F222 HydrophobicContact CB-CB 3.81Å; R165-F222 HydrophobicContact CB-CD2 3.89Å; R165-F222 HydrophobicContact CB-CG 3.85Å; A168-F222 HydrophobicContact CB-CE2 3.79Å; A168-F222 HydrophobicContact CB-CZ 4.19Å; L218-F222 HydrophobicContact CB-CD2 4.49Å; L218-F222 HydrophobicContact CD2-CD2 4.18Å; L218-F222 HydrophobicContact CD2-CE2 3.99Å; L218-F222 WeakPolarHBondContact O-CB 3.5Å; L218-F222 PolarHBondContact O-N 2.91Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 PolarHBondContact O-N 3.21Å; F222-R224 PolarHBondContact O-N 3.15Å; F222-K225 HydrophobicContact CD1-CB 3.97Å; F222-A290 HydrophobicContact CD1-CB 3.78Å; F222-A290 HydrophobicContact CD2-CB 4.29Å; F222-A290 HydrophobicContact CE1-CB 3.7Å; F222-A290 HydrophobicContact CE2-CB 4.21Å; F222-A290 HydrophobicContact CG-CB 4.08Å; F222-A290 HydrophobicContact CZ-CB 3.93Å; F222-F298 HydrophobicContact CE2-CE1 4.26Å; F222-F298 HydrophobicContact CE2-CE2 4.11Å; F222-F298 AromaticContact CE2-CZ 3.56Å; F222-F298 HydrophobicContact CE2-CZ 3.56Å; F222-F298 HydrophobicContact CZ-CE2 4.34Å; F222-F298 AromaticContact CZ-CZ 3.8Å; F222-F298 HydrophobicContact CZ-CZ 3.8Å
223	A	96.3	Very high	96.5	Very high	68 Å²	68	38.3 Å²	38.3	56%	0.562	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-45.2	178.4	0	0	0	0	0	111.5	R219 L220	R219-A223 PolarHBondContact O-N 2.96Å; L220-A223 VanDerWaalsContact O-CB 3.28Å; L220-A223 WeakPolarHBondContact O-CB 3.23Å; L220-A223 PolarHBondContact O-N 3.28Å; L220-A223 VanDerWaalsContact O-N 3.11Å
224	R	95	Very high	96.4	Very high	123 Å²	123	40.8 Å²	40.8	46%	0.464	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	87.4	167	-53.5	169.2	-70.7	-164.4	-7	109.1	F222 N226 K227 A231 N232	F222-R224 PolarHBondContact O-N 3.15Å; R224-N226 PolarHBondContact O-N 3.25Å; R224-K227 HydrophobicContact CB-CB 4.02Å; R224-K227 HydrophobicContact CB-CG 3.85Å; R224-K227 PolarHBondContact O-N 2.83Å; R224-A231 VanDerWaalsContact NH2-C 3.26Å; R224-A231 PolarHBondContact NH2-O 3.47Å; R224-N232 VanDerWaalsContact CB-OD1 3.3Å; R224-N232 WeakPolarHBondContact CB-OD1 3.38Å; R224-N232 PolarHBondContact N-ND2 3.48Å; R224-N232 PolarHBondContact N-OD1 2.93Å; R224-N232 PolarHBondContact NE-OD1 3.28Å; R224-N232 PolarHBondContact O-ND2 2.94Å
225	K	90.1	Very high	96.2	Very high	78 Å²	78	42.2 Å²	42.2	34%	0.339	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-22.9	-173.2	72.3	175.2	-174.6	171.4	0	116.5	F222	F222-K225 HydrophobicContact CD1-CB 3.97Å
226	N	90.9	Very high	96.1	Very high	88 Å²	88	49 Å²	49	47%	0.471	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-7.8	-179.2	-67	-29.7	0	0	0	113.7	R224	R224-N226 PolarHBondContact O-N 3.25Å
227	K	96.3	Very high	96.1	Very high	121 Å²	121	53.3 Å²	53.3	53%	0.526	29%	0.287	S	S	.	.	S	Bend	trans	-91.6	164.6	173.6	-63.8	-65.7	-176.7	175.5	0	109.8	R224 A231	R224-K227 HydrophobicContact CB-CB 4.02Å; R224-K227 HydrophobicContact CB-CG 3.85Å; R224-K227 PolarHBondContact O-N 2.83Å; K227-A231 HydrophobicContact CB-CB 4.25Å
228	T	98.1	Very high	96.1	Very high	43 Å²	43	55.1 Å²	55.1	26%	0.264	30%	0.296	S	S	.	.			trans	-68.4	155.6	176.6	59.2	0	0	0	0	110.3	G230 A231 N232 E286 K288	T228-G230 VanDerWaalsContact C-N 3.3Å; T228-G230 PolarHBondContact O-N 2.84Å; T228-A231 WeakPolarHBondContact O-CB 3.31Å; T228-A231 PolarHBondContact O-N 2.97Å; T228-A231 WeakPolarHBondContact OG1-CB 3.45Å; T228-A231 PolarHBondContact OG1-N 2.96Å; T228-N232 PolarHBondContact O-N 3.12Å; T228-E286 WeakPolarHBondContact CB-O 3.42Å; T228-K288 CarbonylContact C-O 3.59Å; T228-K288 VanDerWaalsContact CA-O 3.23Å; T228-K288 WeakPolarHBondContact CA-O 3.49Å
229	I	98.1	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-42.5	175.7	-69.3	166.3	0	0	0	110	V221 A231 N232 F233 L280 F285 K288 L293 L301	V221-I229 HydrophobicContact CG1-CG1 4.48Å; V221-I229 HydrophobicContact CG1-CG2 4.41Å; I229-A231 VanDerWaalsContact C-N 3.28Å; I229-A231 PolarHBondContact O-N 3.36Å; I229-N232 CarbonylContact O-C 3.58Å; I229-N232 WeakPolarHBondContact O-CA 3.37Å; I229-N232 PolarHBondContact O-N 3.41Å; I229-F233 HydrophobicContact CG2-CD2 3.6Å; I229-F233 HydrophobicContact CG2-CE2 3.66Å; I229-F233 WeakPolarHBondContact O-CD2 3.36Å; I229-F233 PolarHBondContact O-N 3.45Å; I229-L280 HydrophobicContact CG2-CD1 4.22Å; I229-L280 HydrophobicContact CG2-CD2 3.74Å; I229-F285 HydrophobicContact CD1-CB 4.33Å; I229-F285 HydrophobicContact CD1-CD1 4.3Å; I229-K288 HydrophobicContact CD1-CB 4.18Å; I229-K288 PolarHBondContact N-O 3.17Å; I229-L293 HydrophobicContact CD1-CD1 3.39Å; I229-L293 HydrophobicContact CD1-CG 4.49Å; I229-L301 HydrophobicContact CD1-CD2 4.11Å; I229-L301 HydrophobicContact CG2-CD2 4.36Å
230	G	98.1	Very high	96.1	Very high	18 Å²	18	51.3 Å²	51.3	19%	0.186	29%	0.291	C	S	.	.	H	α-helix	trans	-52.7	-45.9	173.7	0	0	0	0	0	112.4	T228 N232 F233 S234 E286	T228-G230 VanDerWaalsContact C-N 3.3Å; T228-G230 PolarHBondContact O-N 2.84Å; G230-N232 PolarHBondContact O-N 2.96Å; G230-F233 PolarHBondContact O-N 3.03Å; G230-S234 PolarHBondContact O-N 3.05Å; G230-E286 PolarHBondContact N-O 3.23Å
231	A	97.9	Very high	96	Very high	27 Å²	27	55 Å²	55	22%	0.223	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-42.2	174.5	0	0	0	0	0	111.9	R224 K227 T228 I229 F233 S234	R224-A231 VanDerWaalsContact NH2-C 3.26Å; R224-A231 PolarHBondContact NH2-O 3.47Å; K227-A231 HydrophobicContact CB-CB 4.25Å; T228-A231 WeakPolarHBondContact O-CB 3.31Å; T228-A231 PolarHBondContact O-N 2.97Å; T228-A231 WeakPolarHBondContact OG1-CB 3.45Å; T228-A231 PolarHBondContact OG1-N 2.96Å; I229-A231 VanDerWaalsContact C-N 3.28Å; I229-A231 PolarHBondContact O-N 3.36Å; A231-F233 PolarHBondContact O-N 3.21Å; A231-S234 PolarHBondContact O-N 3.34Å; A231-S234 PolarHBondContact O-OG 3.09Å
232	N	97.5	Very high	96.1	Very high	2 Å²	2	55 Å²	55	1%	0.011	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-22.5	178.7	-74.3	-16	0	0	0	114.6	L220 V221 R224 T228 I229 G230 I238	L220-N232 WeakPolarHBondContact O-CB 3.37Å; V221-N232 PolarHBondContact O-ND2 3.24Å; R224-N232 VanDerWaalsContact CB-OD1 3.3Å; R224-N232 WeakPolarHBondContact CB-OD1 3.38Å; R224-N232 PolarHBondContact N-ND2 3.48Å; R224-N232 PolarHBondContact N-OD1 2.93Å; R224-N232 PolarHBondContact NE-OD1 3.28Å; R224-N232 PolarHBondContact O-ND2 2.94Å; T228-N232 PolarHBondContact O-N 3.12Å; I229-N232 CarbonylContact O-C 3.58Å; I229-N232 WeakPolarHBondContact O-CA 3.37Å; I229-N232 PolarHBondContact O-N 3.41Å; G230-N232 PolarHBondContact O-N 2.96Å; N232-I238 WeakPolarHBondContact O-CD1 3.49Å
233	F	97.5	Very high	96.1	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.022	31%	0.312	C	S	.	.	H	α-helix	trans	-94.2	-14.4	175.2	-83.6	-107	0	0	0	113.3	L217 L220 V221 I229 G230 A231 L242 I276 L280 F305 F312	L217-F233 HydrophobicContact CD1-CZ 3.93Å; L220-F233 HydrophobicContact CB-CD2 4.45Å; L220-F233 HydrophobicContact CB-CE1 4.48Å; L220-F233 HydrophobicContact CB-CE2 3.83Å; L220-F233 HydrophobicContact CB-CZ 3.86Å; L220-F233 HydrophobicContact CD1-CD1 4.46Å; L220-F233 HydrophobicContact CD1-CE1 3.85Å; L220-F233 HydrophobicContact CD1-CZ 3.96Å; V221-F233 HydrophobicContact CG1-CE2 3.82Å; V221-F233 HydrophobicContact CG1-CZ 4.34Å; I229-F233 HydrophobicContact CG2-CD2 3.6Å; I229-F233 HydrophobicContact CG2-CE2 3.66Å; I229-F233 WeakPolarHBondContact O-CD2 3.36Å; I229-F233 PolarHBondContact O-N 3.45Å; G230-F233 PolarHBondContact O-N 3.03Å; A231-F233 PolarHBondContact O-N 3.21Å; F233-L242 HydrophobicContact CD1-CD1 4.25Å; F233-L242 HydrophobicContact CE1-CD1 4.3Å; F233-I276 HydrophobicContact CB-CG2 3.83Å; F233-I276 HydrophobicContact CD1-CG2 3.73Å; F233-I276 HydrophobicContact CG-CG2 4.2Å; F233-L280 HydrophobicContact CB-CD1 3.69Å; F233-L280 HydrophobicContact CD1-CD1 4.41Å; F233-L280 HydrophobicContact CD2-CD1 4.28Å; F233-L280 HydrophobicContact CG-CD1 3.88Å; F233-F305 HydrophobicContact CD1-CE1 4.38Å; F233-F305 HydrophobicContact CD1-CE2 4.47Å; F233-F305 AromaticContact CD1-CZ 3.72Å; F233-F305 HydrophobicContact CD1-CZ 3.72Å; F233-F305 HydrophobicContact CE1-CE1 4.07Å; F233-F305 AromaticContact CE1-CE2 3.73Å; F233-F305 HydrophobicContact CE1-CE2 3.73Å; F233-F305 AromaticContact CE1-CZ 3.33Å; F233-F305 HydrophobicContact CE1-CZ 3.33Å; F233-F305 AromaticContact CZ-CE2 3.98Å; F233-F305 HydrophobicContact CZ-CE2 3.98Å; F233-F305 HydrophobicContact CZ-CZ 4.04Å; F233-F312 AromaticContact CE1-CE1 3.75Å; F233-F312 HydrophobicContact CE1-CE1 3.75Å; F233-F312 AromaticContact CE1-CZ 3.89Å; F233-F312 HydrophobicContact CE1-CZ 3.89Å; F233-F312 HydrophobicContact CZ-CE1 4.04Å; F233-F312 HydrophobicContact CZ-CZ 4.13Å
234	S	93.8	Very high	96.1	Very high	70 Å²	70	59.2 Å²	59.2	49%	0.49	31%	0.312	S	S	.	.			trans	-67.1	145.8	176.7	69.4	0	0	0	0	112.7	G230 A231	G230-S234 PolarHBondContact O-N 3.05Å; A231-S234 PolarHBondContact O-N 3.34Å; A231-S234 PolarHBondContact O-OG 3.09Å
235	G	92.9	Very high	96.2	Very high	31 Å²	31	54.3 Å²	54.3	32%	0.32	30%	0.295	S	S	.	.	S	Bend	trans	115.4	137.7	171.5	0	0	0	0	0	113.7	S237 I238 A239 E273	G235-S237 PolarHBondContact O-N 3.49Å; G235-I238 PolarHBondContact O-N 3.37Å; G235-A239 PolarHBondContact O-N 3.34Å; G235-E273 WeakPolarHBondContact CA-OE1 3.5Å; G235-E273 PolarHBondContact N-OE1 3.5Å
236	K	94.4	Very high	96.5	Very high	155 Å²	155	50.8 Å²	50.8	67%	0.674	28%	0.279	S	S	*	.	H	α-helix	trans	-50.8	-35.7	-176.3	-64.6	-175.6	178.2	-176.1	0	114.7	S240 V269 E273	K236-S240 WeakPolarHBondContact O-CB 3.44Å; K236-S240 PolarHBondContact O-N 3.24Å; K236-V269 HydrophobicContact CB-CG1 4.15Å; K236-V269 HydrophobicContact CG-CG1 4.39Å; K236-E273 PolarHBondContact N-OE1 3.39Å; K236-E273 VanDerWaalsContact N-OE1 3.13Å
237	S	96.4	Very high	96.8	Very high	103 Å²	103	49.2 Å²	49.2	72%	0.72	27%	0.27	S	S	*	.	H	α-helix	trans	-66.2	-41.7	179.7	176.1	0	0	0	0	112.4	G235 H241	G235-S237 PolarHBondContact O-N 3.49Å; S237-H241 WeakPolarHBondContact O-CB 3.43Å; S237-H241 PolarHBondContact O-N 3.23Å
238	I	96.7	Very high	96.8	Very high	38 Å²	38	48.2 Å²	48.2	20%	0.195	27%	0.267	C	S	.	.	H	α-helix	trans	-70.6	-46.2	178.8	-63.6	177.1	0	0	0	109.7	L220 N232 G235 S240 H241 L242	L220-I238 HydrophobicContact CD1-CG2 4.48Å; L220-I238 HydrophobicContact CD2-CD1 4.25Å; L220-I238 HydrophobicContact CD2-CG1 4.4Å; L220-I238 HydrophobicContact CD2-CG2 4.11Å; N232-I238 WeakPolarHBondContact O-CD1 3.49Å; G235-I238 PolarHBondContact O-N 3.37Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 2.88Å; I238-H241 PolarHBondContact O-N 2.84Å; I238-L242 HydrophobicContact CG2-CD1 3.94Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 WeakPolarHBondContact O-CG 3.34Å; I238-L242 PolarHBondContact O-N 2.66Å
239	A	97.6	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-39.8	177.6	0	0	0	0	0	112.5	G235 R243 V269 M272 E273 I276	G235-A239 PolarHBondContact O-N 3.34Å; A239-R243 WeakPolarHBondContact O-CA 3.36Å; A239-R243 WeakPolarHBondContact O-CB 3.28Å; A239-R243 PolarHBondContact O-N 3.5Å; A239-V269 HydrophobicContact CB-CG1 4.07Å; A239-M272 HydrophobicContact CB-CB 4.38Å; A239-M272 HydrophobicContact CB-CG 4.37Å; A239-E273 HydrophobicContact CB-CB 4.33Å; A239-E273 HydrophobicContact CB-CG 3.26Å; A239-I276 HydrophobicContact CB-CD1 4.25Å
240	S	97.4	Very high	96.7	Very high	60 Å²	60	47.1 Å²	47.1	42%	0.42	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-44.1	174.2	178.6	0	0	0	0	111.9	K236 I238 R243 K244	K236-S240 WeakPolarHBondContact O-CB 3.44Å; K236-S240 PolarHBondContact O-N 3.24Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 2.88Å; S240-R243 PolarHBondContact O-N 3.02Å; S240-K244 PolarHBondContact O-N 3.39Å; S240-K244 VanDerWaalsContact O-N 3.08Å
241	H	97	Very high	96.6	Very high	104 Å²	104	51.3 Å²	51.3	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-50.3	176.6	177.3	62.2	0	0	0	112.4	S237 I238 R243 K244 I245	S237-H241 WeakPolarHBondContact O-CB 3.43Å; S237-H241 PolarHBondContact O-N 3.23Å; I238-H241 PolarHBondContact O-N 2.84Å; H241-R243 VanDerWaalsContact C-N 3.33Å; H241-R243 PolarHBondContact O-N 3Å; H241-K244 WeakPolarHBondContact O-CB 3.33Å; H241-K244 PolarHBondContact O-N 3.43Å; H241-I245 PolarHBondContact O-N 2.67Å
242	L	97.7	Very high	96.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-34.6	178.8	-68.6	177.4	0	0	0	112.1	L220 F233 I238 K244 I245 Y246 M272 I276 I310 F312	L220-L242 HydrophobicContact CD1-CD1 4.3Å; L220-L242 HydrophobicContact CD1-CD2 4.36Å; F233-L242 HydrophobicContact CD1-CD1 4.25Å; F233-L242 HydrophobicContact CE1-CD1 4.3Å; I238-L242 HydrophobicContact CG2-CD1 3.94Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 WeakPolarHBondContact O-CG 3.34Å; I238-L242 PolarHBondContact O-N 2.66Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.27Å; L242-I245 PolarHBondContact O-N 3.26Å; L242-Y246 VanDerWaalsContact O-CB 3.25Å; L242-Y246 WeakPolarHBondContact O-CB 3Å; L242-Y246 PolarHBondContact O-N 2.94Å; L242-M272 HydrophobicContact CB-CE 3.74Å; L242-I276 HydrophobicContact CB-CD1 4.34Å; L242-I276 HydrophobicContact CD1-CD1 3.71Å; L242-I276 HydrophobicContact CD1-CG1 4.37Å; L242-I310 HydrophobicContact CD2-CG2 4.45Å; L242-F312 HydrophobicContact CD1-CE1 4.33Å; L242-F312 HydrophobicContact CD2-CD1 3.84Å; L242-F312 HydrophobicContact CD2-CE1 3.84Å
243	R	97.7	Very high	96.4	Very high	46 Å²	46	61.2 Å²	61.2	17%	0.174	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-45	172.4	175.9	179.8	176.7	-84.2	-0.8	110.9	A239 S240 H241 Y246 M247 I262 A263 C264 M272	A239-R243 WeakPolarHBondContact O-CA 3.36Å; A239-R243 WeakPolarHBondContact O-CB 3.28Å; A239-R243 PolarHBondContact O-N 3.5Å; S240-R243 PolarHBondContact O-N 3.02Å; H241-R243 VanDerWaalsContact C-N 3.33Å; H241-R243 PolarHBondContact O-N 3Å; R243-Y246 PolarHBondContact O-N 2.87Å; R243-M247 HydrophobicContact CG-CG 4.23Å; R243-M247 VanDerWaalsContact O-CG 3.25Å; R243-M247 WeakPolarHBondContact O-CG 3.4Å; R243-M247 PolarHBondContact O-N 3.5Å; R243-I262 HydrophobicContact CG-CG2 3.98Å; R243-I262 PolarHBondContact NE-O 3.33Å; R243-I262 PolarHBondContact NH2-O 3.4Å; R243-A263 PolarHBondContact NH2-O 3.41Å; R243-A263 VanDerWaalsContact NH2-O 3.07Å; R243-C264 PolarHBondContact NH2-O 3.4Å; R243-C264 VanDerWaalsContact NH2-O 3.16Å; R243-M272 HydrophobicContact CB-CB 4.1Å; R243-M272 HydrophobicContact CB-CG 3.9Å
244	K	96.8	Very high	96.3	Very high	130 Å²	130	64.3 Å²	64.3	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-58.1	-50.9	178.3	-178.9	-179.9	168.6	177.9	0	111.1	S240 H241 L242 Y246 M247 E248	S240-K244 PolarHBondContact O-N 3.39Å; S240-K244 VanDerWaalsContact O-N 3.08Å; H241-K244 WeakPolarHBondContact O-CB 3.33Å; H241-K244 PolarHBondContact O-N 3.43Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.27Å; K244-Y246 VanDerWaalsContact C-N 3.31Å; K244-Y246 PolarHBondContact O-N 3.41Å; K244-M247 PolarHBondContact O-N 3.12Å; K244-E248 WeakPolarHBondContact CE-OE1 3.49Å; K244-E248 WeakPolarHBondContact O-CG 3.16Å; K244-E248 PolarHBondContact O-N 3.25Å
245	I	96.6	Very high	96.4	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.108	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-41.1	178	-62.1	170.3	0	0	0	111.2	H241 L242 E248 T249 N311	H241-I245 PolarHBondContact O-N 2.67Å; L242-I245 PolarHBondContact O-N 3.26Å; I245-E248 PolarHBondContact O-N 3.26Å; I245-T249 WeakPolarHBondContact O-CB 3.45Å; I245-T249 PolarHBondContact O-N 2.93Å; I245-T249 PolarHBondContact O-OG1 3.25Å; I245-N311 HydrophobicContact CG2-CB 3.97Å
246	Y	97.8	Very high	96.5	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.016	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-46.8	177.7	176.1	-106.1	0	0	0	112.1	L242 R243 K244 E248 T249 C250 P257 T258 I262 E308 N309 I310	L242-Y246 VanDerWaalsContact O-CB 3.25Å; L242-Y246 WeakPolarHBondContact O-CB 3Å; L242-Y246 PolarHBondContact O-N 2.94Å; R243-Y246 PolarHBondContact O-N 2.87Å; K244-Y246 VanDerWaalsContact C-N 3.31Å; K244-Y246 PolarHBondContact O-N 3.41Å; Y246-E248 PolarHBondContact O-N 2.92Å; Y246-T249 WeakPolarHBondContact O-CB 3.37Å; Y246-T249 PolarHBondContact O-N 3.33Å; Y246-T249 VanDerWaalsContact O-N 3.17Å; Y246-C250 VanDerWaalsContact CZ-SG 3.59Å; Y246-C250 PolarHBondContact O-N 2.89Å; Y246-P257 HydrophobicContact CE1-CB 3.97Å; Y246-T258 PolarHBondContact OH-N 3.06Å; Y246-T258 PolarHBondContact OH-O 3.43Å; Y246-I262 HydrophobicContact CD1-CD1 4.47Å; Y246-I262 HydrophobicContact CD1-CG2 3.82Å; Y246-I262 HydrophobicContact CE1-CB 4.48Å; Y246-I262 HydrophobicContact CE1-CD1 3.99Å; Y246-I262 HydrophobicContact CE1-CG2 3.93Å; Y246-E308 VanDerWaalsContact CE2-O 3.26Å; Y246-E308 WeakPolarHBondContact CE2-O 3.29Å; Y246-N309 HydrophobicContact CD2-CB 4.42Å; Y246-N309 WeakPolarHBondContact CD2-O 3.43Å; Y246-N309 HydrophobicContact CE2-CB 4Å; Y246-I310 HydrophobicContact CD2-CG1 3.73Å; Y246-I310 HydrophobicContact CE2-CG1 4.34Å; Y246-I310 HydrophobicContact CG-CG1 4.42Å
247	M	97.2	Very high	96.5	Very high	55 Å²	55	61.3 Å²	61.3	27%	0.271	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177.5	-68.4	-63	-62	0	0	112	R243 K244 T249 C250 C251 P257 I262 A263	R243-M247 HydrophobicContact CG-CG 4.23Å; R243-M247 VanDerWaalsContact O-CG 3.25Å; R243-M247 WeakPolarHBondContact O-CG 3.4Å; R243-M247 PolarHBondContact O-N 3.5Å; K244-M247 PolarHBondContact O-N 3.12Å; M247-T249 VanDerWaalsContact C-N 3.31Å; M247-T249 PolarHBondContact O-N 3.4Å; M247-C250 PolarHBondContact O-N 3.48Å; M247-C251 WeakPolarHBondContact O-CB 3.39Å; M247-C251 PolarHBondContact O-N 3.11Å; M247-P257 HydrophobicContact CE-CG 3.66Å; M247-P257 HydrophobicContact SD-CB 3.97Å; M247-P257 HydrophobicContact SD-CG 3.4Å; M247-P257 WeakPolarHBondContact SD-CG 3.33Å; M247-I262 HydrophobicContact SD-CG2 4.08Å; M247-A263 HydrophobicContact CE-CB 4.07Å
248	E	96.3	Very high	96.5	Very high	100 Å²	100	60.7 Å²	60.7	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-39.5	173.7	-71.9	169.9	-173.5	0	0	111.6	K244 I245 Y246 T252	K244-E248 WeakPolarHBondContact CE-OE1 3.49Å; K244-E248 WeakPolarHBondContact O-CG 3.16Å; K244-E248 PolarHBondContact O-N 3.25Å; I245-E248 PolarHBondContact O-N 3.26Å; Y246-E248 PolarHBondContact O-N 2.92Å; E248-T252 WeakPolarHBondContact O-CB 3.35Å; E248-T252 PolarHBondContact O-N 2.85Å; E248-T252 PolarHBondContact O-OG1 2.89Å
249	T	96.2	Very high	96.4	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.098	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-46	175.7	-59.7	0	0	0	0	111.5	I245 Y246 M247 T252 K253 N309 N311	I245-T249 WeakPolarHBondContact O-CB 3.45Å; I245-T249 PolarHBondContact O-N 2.93Å; I245-T249 PolarHBondContact O-OG1 3.25Å; Y246-T249 WeakPolarHBondContact O-CB 3.37Å; Y246-T249 PolarHBondContact O-N 3.33Å; Y246-T249 VanDerWaalsContact O-N 3.17Å; M247-T249 VanDerWaalsContact C-N 3.31Å; M247-T249 PolarHBondContact O-N 3.4Å; T249-T252 PolarHBondContact O-N 2.95Å; T249-K253 HydrophobicContact CG2-CD 4.12Å; T249-K253 WeakPolarHBondContact O-CB 3.45Å; T249-K253 WeakPolarHBondContact O-CG 3.39Å; T249-K253 PolarHBondContact O-N 2.9Å; T249-N309 HydrophobicContact CG2-CB 4.35Å; T249-N311 WeakPolarHBondContact CG2-ND2 3.31Å; T249-N311 PolarHBondContact OG1-ND2 3.28Å
250	C	96.9	Very high	96.3	Very high	3 Å²	3	69.6 Å²	69.6	2%	0.02	39%	0.392	C	S	.	.	H	α-helix	trans	-58.3	-48.5	175.6	-80.6	0	0	0	0	111.4	Y246 M247 T252 K253 G254 L255	Y246-C250 VanDerWaalsContact CZ-SG 3.59Å; Y246-C250 PolarHBondContact O-N 2.89Å; M247-C250 PolarHBondContact O-N 3.48Å; C250-T252 PolarHBondContact O-N 3.45Å; C250-K253 CarbonylContact O-C 3.6Å; C250-K253 PolarHBondContact O-N 3.25Å; C250-G254 PolarHBondContact O-N 3.18Å; C250-L255 CarbonylContact C-O 3.31Å; C250-L255 HydrophobicContact CB-CB 4.47Å; C250-L255 WeakPolarHBondContact CB-O 3.33Å; C250-L255 PolarHBondContact O-N 3.06Å
251	C	95.5	Very high	96.3	Very high	106 Å²	106	68.9 Å²	68.9	72%	0.716	39%	0.389	S	S	*	.	H	α-helix	trans	-58.6	-47.9	177.1	-178	0	0	0	0	111.9	M247 K253 G254	M247-C251 WeakPolarHBondContact O-CB 3.39Å; M247-C251 PolarHBondContact O-N 3.11Å; C251-K253 VanDerWaalsContact C-N 3.28Å; C251-K253 PolarHBondContact O-N 3.13Å; C251-G254 PolarHBondContact O-N 3.01Å
252	T	96	Very high	96.3	Very high	124 Å²	124	63.9 Å²	63.9	76%	0.761	37%	0.367	S	S	*	.	H	α-helix	trans	-62.9	-33.4	-179.9	-59.5	0	0	0	0	112.7	E248 T249 C250	E248-T252 WeakPolarHBondContact O-CB 3.35Å; E248-T252 PolarHBondContact O-N 2.85Å; E248-T252 PolarHBondContact O-OG1 2.89Å; T249-T252 PolarHBondContact O-N 2.95Å; C250-T252 PolarHBondContact O-N 3.45Å
253	K	95.9	Very high	96.3	Very high	114 Å²	114	66.1 Å²	66.1	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-92.3	-2.9	-180	-67.3	-174.6	-178.7	-174.4	0	114.1	T249 C250 C251 L255 N309	T249-K253 HydrophobicContact CG2-CD 4.12Å; T249-K253 WeakPolarHBondContact O-CB 3.45Å; T249-K253 WeakPolarHBondContact O-CG 3.39Å; T249-K253 PolarHBondContact O-N 2.9Å; C250-K253 CarbonylContact O-C 3.6Å; C250-K253 PolarHBondContact O-N 3.25Å; C251-K253 VanDerWaalsContact C-N 3.28Å; C251-K253 PolarHBondContact O-N 3.13Å; K253-L255 VanDerWaalsContact C-N 3.31Å; K253-L255 HydrophobicContact CB-CD1 3.88Å; K253-L255 HydrophobicContact CB-CG 3.85Å; K253-L255 HydrophobicContact CD-CD1 3.96Å; K253-L255 PolarHBondContact O-N 3.43Å; K253-N309 PolarHBondContact NZ-OD1 2.98Å
254	G	95.8	Very high	96.2	Very high	69 Å²	69	66.3 Å²	66.3	71%	0.711	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	32.1	-173.4	0	0	0	0	0	113.8	C250 C251	C250-G254 PolarHBondContact O-N 3.18Å; C251-G254 PolarHBondContact O-N 3.01Å
255	L	95.3	Very high	96	Very high	79 Å²	79	69 Å²	69	41%	0.414	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-102.9	145.6	179.7	-62	174.6	0	0	0	111.2	C250 K253	C250-L255 CarbonylContact C-O 3.31Å; C250-L255 HydrophobicContact CB-CB 4.47Å; C250-L255 WeakPolarHBondContact CB-O 3.33Å; C250-L255 PolarHBondContact O-N 3.06Å; K253-L255 VanDerWaalsContact C-N 3.31Å; K253-L255 HydrophobicContact CB-CD1 3.88Å; K253-L255 HydrophobicContact CB-CG 3.85Å; K253-L255 HydrophobicContact CD-CD1 3.96Å; K253-L255 PolarHBondContact O-N 3.43Å
256	S	94.6	Very high	95.9	Very high	94 Å²	94	73 Å²	73	66%	0.657	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-80.2	137.9	167.2	-61.5	0	0	0	0	110.9	T258	S256-T258 PolarHBondContact O-N 3Å
257	P	96	Very high	95.8	Very high	20 Å²	20	76.1 Å²	76.1	13%	0.13	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-54.9	135.8	174	-28.5	37.9	0	0	0	112.2	Y246 M247 P259 E260 I262 A263	Y246-P257 HydrophobicContact CE1-CB 3.97Å; M247-P257 HydrophobicContact CE-CG 3.66Å; M247-P257 HydrophobicContact SD-CB 3.97Å; M247-P257 HydrophobicContact SD-CG 3.4Å; M247-P257 WeakPolarHBondContact SD-CG 3.33Å; P257-P259 CarbonylContact C-O 3.52Å; P257-P259 CarbonylContact O-C 3.59Å; P257-P259 VanDerWaalsContact O-C 3.31Å; P257-E260 WeakPolarHBondContact O-CA 3.49Å; P257-E260 PolarHBondContact O-N 3.28Å; P257-I262 HydrophobicContact CB-CB 4.27Å; P257-A263 HydrophobicContact CB-CB 4.42Å; P257-A263 HydrophobicContact CG-CB 4.11Å
258	T	95.1	Very high	95.8	Very high	90 Å²	90	73.5 Å²	73.5	55%	0.552	44%	0.444	S	S	*	.	S	Bend	trans	-125.4	116.9	177.8	-54.3	0	0	0	0	110.7	Y246 S256 K275	Y246-T258 PolarHBondContact OH-N 3.06Å; Y246-T258 PolarHBondContact OH-O 3.43Å; S256-T258 PolarHBondContact O-N 3Å; T258-K275 WeakPolarHBondContact O-CD 3.44Å; T258-K275 WeakPolarHBondContact O-CE 3.24Å; T258-K275 PolarHBondContact O-NZ 3.13Å
259	P	95.2	Very high	95.8	Very high	62 Å²	62	70.5 Å²	70.5	40%	0.403	43%	0.432	S	S	.	.	S	Bend	cis	-69	157.6	-3.5	29.3	-36.3	0	0	0	112.9	P257 A261 I262	P257-P259 CarbonylContact C-O 3.52Å; P257-P259 CarbonylContact O-C 3.59Å; P257-P259 VanDerWaalsContact O-C 3.31Å; P259-A261 PolarHBondContact O-N 3.21Å; P259-A261 VanDerWaalsContact O-N 3.12Å; P259-I262 HydrophobicContact CG-CD1 4.35Å; P259-I262 HydrophobicContact CG-CG1 4.17Å; P259-I262 WeakPolarHBondContact O-CB 3.44Å; P259-I262 WeakPolarHBondContact O-CG1 3.44Å; P259-I262 PolarHBondContact O-N 2.93Å
260	E	95.8	Very high	95.9	Very high	163 Å²	163	73.4 Å²	73.4	76%	0.762	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-55.8	-31.1	179.3	-66.6	179.4	178.7	0	0	112.6	P257 I262 A263	P257-E260 WeakPolarHBondContact O-CA 3.49Å; P257-E260 PolarHBondContact O-N 3.28Å; E260-I262 PolarHBondContact O-N 3.5Å; E260-A263 VanDerWaalsContact O-CB 3.31Å; E260-A263 WeakPolarHBondContact O-CB 3.21Å; E260-A263 PolarHBondContact O-N 3.42Å
261	A	97.1	Very high	96	Very high	45 Å²	45	73.7 Å²	73.7	37%	0.372	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-54.3	-25.8	175.3	0	0	0	0	0	113.4	P259 A263 C264 G268 A271	P259-A261 PolarHBondContact O-N 3.21Å; P259-A261 VanDerWaalsContact O-N 3.12Å; A261-A263 PolarHBondContact O-N 3.48Å; A261-C264 VanDerWaalsContact O-CB 3.3Å; A261-C264 WeakPolarHBondContact O-CB 3.42Å; A261-C264 PolarHBondContact O-N 3.01Å; A261-C264 VanDerWaalsContact O-N 3.11Å; A261-G268 WeakPolarHBondContact O-CA 2.98Å; A261-A271 HydrophobicContact CB-CB 3.95Å
262	I	97.5	Very high	96.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.3	174.2	-66.9	179.1	0	0	0	111.1	R243 Y246 M247 P257 P259 E260 C264 G268 A271 M272 K275	R243-I262 HydrophobicContact CG-CG2 3.98Å; R243-I262 PolarHBondContact NE-O 3.33Å; R243-I262 PolarHBondContact NH2-O 3.4Å; Y246-I262 HydrophobicContact CD1-CD1 4.47Å; Y246-I262 HydrophobicContact CD1-CG2 3.82Å; Y246-I262 HydrophobicContact CE1-CB 4.48Å; Y246-I262 HydrophobicContact CE1-CD1 3.99Å; Y246-I262 HydrophobicContact CE1-CG2 3.93Å; M247-I262 HydrophobicContact SD-CG2 4.08Å; P257-I262 HydrophobicContact CB-CB 4.27Å; P259-I262 HydrophobicContact CG-CD1 4.35Å; P259-I262 HydrophobicContact CG-CG1 4.17Å; P259-I262 WeakPolarHBondContact O-CB 3.44Å; P259-I262 WeakPolarHBondContact O-CG1 3.44Å; P259-I262 PolarHBondContact O-N 2.93Å; E260-I262 PolarHBondContact O-N 3.5Å; I262-C264 VanDerWaalsContact C-N 3.27Å; I262-C264 PolarHBondContact O-N 2.85Å; I262-G268 WeakPolarHBondContact O-CA 3.38Å; I262-A271 HydrophobicContact CG1-CB 3.77Å; I262-M272 HydrophobicContact CD1-SD 4.05Å; I262-K275 HydrophobicContact CD1-CB 4.3Å; I262-K275 HydrophobicContact CD1-CD 3.56Å
263	A	96.3	Very high	96.2	Very high	47 Å²	47	65.1 Å²	65.1	39%	0.388	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-68.7	-26	178.5	0	0	0	0	0	113	R243 M247 P257 E260 A261	R243-A263 PolarHBondContact NH2-O 3.41Å; R243-A263 VanDerWaalsContact NH2-O 3.07Å; M247-A263 HydrophobicContact CE-CB 4.07Å; P257-A263 HydrophobicContact CB-CB 4.42Å; P257-A263 HydrophobicContact CG-CB 4.11Å; E260-A263 VanDerWaalsContact O-CB 3.31Å; E260-A263 WeakPolarHBondContact O-CB 3.21Å; E260-A263 PolarHBondContact O-N 3.42Å; A261-A263 PolarHBondContact O-N 3.48Å
264	C	96	Very high	96.3	Very high	51 Å²	51	65.5 Å²	65.5	35%	0.345	40%	0.4	S	S	.	.			trans	-65.3	136.3	-177.7	-172.7	0	0	0	0	111.9	R243 A261 I262 S266 T267 G268	R243-C264 PolarHBondContact NH2-O 3.4Å; R243-C264 VanDerWaalsContact NH2-O 3.16Å; A261-C264 VanDerWaalsContact O-CB 3.3Å; A261-C264 WeakPolarHBondContact O-CB 3.42Å; A261-C264 PolarHBondContact O-N 3.01Å; A261-C264 VanDerWaalsContact O-N 3.11Å; I262-C264 VanDerWaalsContact C-N 3.27Å; I262-C264 PolarHBondContact O-N 2.85Å; C264-S266 PolarHBondContact SG-OG 3.14Å; C264-S266 VanDerWaalsContact SG-OG 3.34Å; C264-T267 VanDerWaalsContact CB-OG1 3.29Å; C264-T267 WeakPolarHBondContact CB-OG1 3.37Å; C264-T267 PolarHBondContact SG-OG1 3.29Å; C264-G268 WeakPolarHBondContact O-CA 3.48Å; C264-G268 PolarHBondContact O-N 2.6Å
265	E	92.6	Very high	96.4	Very high	185 Å²	185	63.1 Å²	63.1	86%	0.864	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-39.7	180	-65.4	-171	162.5	0	0	112.7
266	S	93.9	Very high	96.5	Very high	106 Å²	106	59.5 Å²	59.5	74%	0.741	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-36.6	-174.6	58.7	0	0	0	0	113.4	C264	C264-S266 PolarHBondContact SG-OG 3.14Å; C264-S266 VanDerWaalsContact SG-OG 3.34Å
267	T	95.8	Very high	96.7	Very high	69 Å²	69	57.4 Å²	57.4	42%	0.423	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-12.6	-175.4	59.7	0	0	0	0	113.9	C264 V269 S270 A271	C264-T267 VanDerWaalsContact CB-OG1 3.29Å; C264-T267 WeakPolarHBondContact CB-OG1 3.37Å; C264-T267 PolarHBondContact SG-OG1 3.29Å; T267-V269 VanDerWaalsContact C-N 3.33Å; T267-V269 PolarHBondContact O-N 2.94Å; T267-S270 WeakPolarHBondContact O-CB 3.4Å; T267-S270 PolarHBondContact O-N 3.04Å; T267-A271 PolarHBondContact O-N 3.32Å
268	G	97.6	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-64.8	-31.4	-168.6	0	0	0	0	0	115.1	A261 I262 C264 M272	A261-G268 WeakPolarHBondContact O-CA 2.98Å; I262-G268 WeakPolarHBondContact O-CA 3.38Å; C264-G268 WeakPolarHBondContact O-CA 3.48Å; C264-G268 PolarHBondContact O-N 2.6Å; G268-M272 WeakPolarHBondContact O-CB 3.45Å; G268-M272 PolarHBondContact O-N 2.91Å
269	V	97.8	Very high	97	Very high	37 Å²	37	55.5 Å²	55.5	22%	0.224	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-42.9	174.3	177.5	0	0	0	0	110.9	K236 A239 T267 M272 E273	K236-V269 HydrophobicContact CB-CG1 4.15Å; K236-V269 HydrophobicContact CG-CG1 4.39Å; A239-V269 HydrophobicContact CB-CG1 4.07Å; T267-V269 VanDerWaalsContact C-N 3.33Å; T267-V269 PolarHBondContact O-N 2.94Å; V269-M272 WeakPolarHBondContact O-CB 3.4Å; V269-M272 PolarHBondContact O-N 3.28Å; V269-E273 PolarHBondContact O-N 2.9Å
270	S	97.8	Very high	97.1	Very high	78 Å²	78	52.7 Å²	52.7	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-41.9	178.2	-168	0	0	0	0	111.4	T267 M272 E273 E274	T267-S270 WeakPolarHBondContact O-CB 3.4Å; T267-S270 PolarHBondContact O-N 3.04Å; S270-M272 VanDerWaalsContact C-N 3.25Å; S270-M272 PolarHBondContact O-N 2.71Å; S270-E273 WeakPolarHBondContact O-CB 3.41Å; S270-E273 PolarHBondContact O-N 3.37Å; S270-E274 PolarHBondContact O-N 3.01Å; S270-E274 VanDerWaalsContact O-N 3.08Å
271	A	97.8	Very high	97.2	Very high	9 Å²	9	51.1 Å²	51.1	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-35.8	174.5	0	0	0	0	0	111.9	A261 I262 T267 K275	A261-A271 HydrophobicContact CB-CB 3.95Å; I262-A271 HydrophobicContact CG1-CB 3.77Å; T267-A271 PolarHBondContact O-N 3.32Å; A271-K275 PolarHBondContact O-N 3.01Å
272	M	98.1	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-69.8	-40.1	174.4	-170.5	66.8	-176.5	0	0	112.5	A239 L242 R243 I262 G268 V269 S270 E274 K275 I276 I310	A239-M272 HydrophobicContact CB-CB 4.38Å; A239-M272 HydrophobicContact CB-CG 4.37Å; L242-M272 HydrophobicContact CB-CE 3.74Å; R243-M272 HydrophobicContact CB-CB 4.1Å; R243-M272 HydrophobicContact CB-CG 3.9Å; I262-M272 HydrophobicContact CD1-SD 4.05Å; G268-M272 WeakPolarHBondContact O-CB 3.45Å; G268-M272 PolarHBondContact O-N 2.91Å; V269-M272 WeakPolarHBondContact O-CB 3.4Å; V269-M272 PolarHBondContact O-N 3.28Å; S270-M272 VanDerWaalsContact C-N 3.25Å; S270-M272 PolarHBondContact O-N 2.71Å; M272-E274 VanDerWaalsContact C-N 3.29Å; M272-E274 PolarHBondContact O-N 3.46Å; M272-K275 PolarHBondContact O-N 2.87Å; M272-K275 HydrophobicContact SD-CD 4.43Å; M272-I276 HydrophobicContact CE-CD1 3.97Å; M272-I276 HydrophobicContact CE-CG1 3.95Å; M272-I276 HydrophobicContact CG-CD1 3.87Å; M272-I276 HydrophobicContact CG-CG1 4.38Å; M272-I276 WeakPolarHBondContact O-CB 3.25Å; M272-I276 WeakPolarHBondContact O-CD1 3.49Å; M272-I276 VanDerWaalsContact O-CG1 3.24Å; M272-I276 WeakPolarHBondContact O-CG1 3.27Å; M272-I276 PolarHBondContact O-N 2.94Å; M272-I310 HydrophobicContact CE-CD1 3.44Å; M272-I310 VanDerWaalsContact CE-CD1 3.44Å; M272-I310 HydrophobicContact CE-CG1 3.83Å; M272-I310 HydrophobicContact CE-CG2 4.29Å; M272-I310 HydrophobicContact SD-CD1 4.45Å
273	E	98	Very high	97.3	Very high	49 Å²	49	57.2 Å²	57.2	23%	0.229	32%	0.318	C	S	.	.	H	α-helix	trans	-57.1	-43.8	173.9	-74.7	-176.2	118	0	0	111.3	G235 K236 A239 V269 S270 T277	G235-E273 WeakPolarHBondContact CA-OE1 3.5Å; G235-E273 PolarHBondContact N-OE1 3.5Å; K236-E273 PolarHBondContact N-OE1 3.39Å; K236-E273 VanDerWaalsContact N-OE1 3.13Å; A239-E273 HydrophobicContact CB-CB 4.33Å; A239-E273 HydrophobicContact CB-CG 3.26Å; V269-E273 PolarHBondContact O-N 2.9Å; S270-E273 WeakPolarHBondContact O-CB 3.41Å; S270-E273 PolarHBondContact O-N 3.37Å; E273-T277 WeakPolarHBondContact O-CB 3.45Å; E273-T277 PolarHBondContact O-N 2.78Å; E273-T277 PolarHBondContact O-OG1 3.21Å
274	E	97.8	Very high	97.4	Very high	123 Å²	123	57.1 Å²	57.1	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-64.5	-47.6	176.4	-173.2	177.4	-175.6	0	0	111.7	S270 M272 I276 T277 N278	S270-E274 PolarHBondContact O-N 3.01Å; S270-E274 VanDerWaalsContact O-N 3.08Å; M272-E274 VanDerWaalsContact C-N 3.29Å; M272-E274 PolarHBondContact O-N 3.46Å; E274-I276 VanDerWaalsContact C-N 3.35Å; E274-I276 PolarHBondContact O-N 3.39Å; E274-T277 WeakPolarHBondContact O-CB 3.5Å; E274-T277 PolarHBondContact O-N 3.42Å; E274-T277 VanDerWaalsContact O-N 3.13Å; E274-N278 PolarHBondContact O-N 2.95Å
275	K	98.2	Very high	97.5	Very high	19 Å²	19	55.1 Å²	55.1	8%	0.083	31%	0.307	C	S	.	.	H	α-helix	trans	-56.4	-47.6	177	-174.8	176.3	-177.3	72.3	0	111.9	T258 I262 A271 M272 T277 N278 I279 E308 I310	T258-K275 WeakPolarHBondContact O-CD 3.44Å; T258-K275 WeakPolarHBondContact O-CE 3.24Å; T258-K275 PolarHBondContact O-NZ 3.13Å; I262-K275 HydrophobicContact CD1-CB 4.3Å; I262-K275 HydrophobicContact CD1-CD 3.56Å; A271-K275 PolarHBondContact O-N 3.01Å; M272-K275 PolarHBondContact O-N 2.87Å; M272-K275 HydrophobicContact SD-CD 4.43Å; K275-T277 VanDerWaalsContact C-N 3.33Å; K275-T277 PolarHBondContact O-N 3.08Å; K275-N278 PolarHBondContact O-N 3.3Å; K275-I279 HydrophobicContact CG-CD1 4.09Å; K275-I279 VanDerWaalsContact O-CG1 3.27Å; K275-I279 WeakPolarHBondContact O-CG1 3.07Å; K275-I279 PolarHBondContact O-N 2.79Å; K275-E308 IonicContact NZ-OE2 2.66Å; K275-E308 PolarHBondContact NZ-OE2 3.48Å; K275-I310 HydrophobicContact CD-CD1 4.19Å; K275-I310 HydrophobicContact CG-CD1 4.44Å
276	I	98.3	Very high	97.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-44.3	177.4	-68.3	162.6	0	0	0	110.7	F233 A239 L242 M272 E274 N278 I279 L280 F305	F233-I276 HydrophobicContact CB-CG2 3.83Å; F233-I276 HydrophobicContact CD1-CG2 3.73Å; F233-I276 HydrophobicContact CG-CG2 4.2Å; A239-I276 HydrophobicContact CB-CD1 4.25Å; L242-I276 HydrophobicContact CB-CD1 4.34Å; L242-I276 HydrophobicContact CD1-CD1 3.71Å; L242-I276 HydrophobicContact CD1-CG1 4.37Å; M272-I276 HydrophobicContact CE-CD1 3.97Å; M272-I276 HydrophobicContact CE-CG1 3.95Å; M272-I276 HydrophobicContact CG-CD1 3.87Å; M272-I276 HydrophobicContact CG-CG1 4.38Å; M272-I276 WeakPolarHBondContact O-CB 3.25Å; M272-I276 WeakPolarHBondContact O-CD1 3.49Å; M272-I276 VanDerWaalsContact O-CG1 3.24Å; M272-I276 WeakPolarHBondContact O-CG1 3.27Å; M272-I276 PolarHBondContact O-N 2.94Å; E274-I276 VanDerWaalsContact C-N 3.35Å; E274-I276 PolarHBondContact O-N 3.39Å; I276-N278 PolarHBondContact O-N 3.46Å; I276-I279 PolarHBondContact O-N 2.86Å; I276-L280 HydrophobicContact CG2-CD1 4.06Å; I276-L280 WeakPolarHBondContact O-CG 3.09Å; I276-L280 PolarHBondContact O-N 3.47Å; I276-F305 HydrophobicContact CG1-CE1 4.37Å; I276-F305 HydrophobicContact CG2-CE1 4.21Å; I276-F305 HydrophobicContact CG2-CZ 4.25Å
277	T	98.1	Very high	98	Very high	50 Å²	50	51.9 Å²	51.9	31%	0.307	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-44.6	179.9	-59.3	0	0	0	0	111.3	E273 E274 K275 L280 R281	E273-T277 WeakPolarHBondContact O-CB 3.45Å; E273-T277 PolarHBondContact O-N 2.78Å; E273-T277 PolarHBondContact O-OG1 3.21Å; E274-T277 WeakPolarHBondContact O-CB 3.5Å; E274-T277 PolarHBondContact O-N 3.42Å; E274-T277 VanDerWaalsContact O-N 3.13Å; K275-T277 VanDerWaalsContact C-N 3.33Å; K275-T277 PolarHBondContact O-N 3.08Å; T277-L280 PolarHBondContact O-N 3.37Å; T277-R281 WeakPolarHBondContact O-CB 3.43Å; T277-R281 PolarHBondContact O-N 3.29Å
278	N	98.3	Very high	98.1	Very high	56 Å²	56	54 Å²	54	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-45.7	177.7	-68.3	-19.3	0	0	0	111.4	E274 K275 I276 L280 R281 D282	E274-N278 PolarHBondContact O-N 2.95Å; K275-N278 PolarHBondContact O-N 3.3Å; I276-N278 PolarHBondContact O-N 3.46Å; N278-L280 VanDerWaalsContact C-N 3.3Å; N278-L280 PolarHBondContact O-N 3.49Å; N278-R281 PolarHBondContact O-N 2.83Å; N278-R281 VanDerWaalsContact O-N 3.14Å; N278-D282 WeakPolarHBondContact O-CB 3.42Å; N278-D282 PolarHBondContact O-N 3.45Å
279	I	98.5	Very high	98.1	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.072	30%	0.304	C	S	.	.	H	α-helix	trans	-54.1	-48.1	174.6	-69	165.7	0	0	0	111.3	K275 I276 R281 S283 A304 F305 E308 I310	K275-I279 HydrophobicContact CG-CD1 4.09Å; K275-I279 VanDerWaalsContact O-CG1 3.27Å; K275-I279 WeakPolarHBondContact O-CG1 3.07Å; K275-I279 PolarHBondContact O-N 2.79Å; I276-I279 PolarHBondContact O-N 2.86Å; I279-R281 VanDerWaalsContact C-N 3.35Å; I279-S283 WeakPolarHBondContact O-CB 3.26Å; I279-S283 PolarHBondContact O-N 2.66Å; I279-S283 PolarHBondContact O-OG 3.05Å; I279-A304 HydrophobicContact CG2-CB 4.05Å; I279-F305 HydrophobicContact CB-CE1 4.48Å; I279-F305 HydrophobicContact CD1-CD1 3.99Å; I279-F305 HydrophobicContact CD1-CE1 4.18Å; I279-F305 HydrophobicContact CG2-CD1 4.08Å; I279-F305 HydrophobicContact CG2-CD2 4.32Å; I279-F305 HydrophobicContact CG2-CE1 4.08Å; I279-F305 HydrophobicContact CG2-CE2 4.33Å; I279-F305 HydrophobicContact CG2-CG 4.2Å; I279-F305 HydrophobicContact CG2-CZ 4.2Å; I279-E308 HydrophobicContact CD1-CB 3.63Å; I279-E308 HydrophobicContact CD1-CG 3.64Å; I279-E308 HydrophobicContact CG1-CB 4.28Å; I279-E308 HydrophobicContact CG1-CG 3.71Å; I279-I310 HydrophobicContact CD1-CD1 3.51Å
280	L	98.6	Very high	98.1	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-67.8	-35.7	-178.3	-69.8	177.7	0	0	0	112.5	I229 F233 I276 T277 N278 S283 G284 F285 E286 L301 F305	I229-L280 HydrophobicContact CG2-CD1 4.22Å; I229-L280 HydrophobicContact CG2-CD2 3.74Å; F233-L280 HydrophobicContact CB-CD1 3.69Å; F233-L280 HydrophobicContact CD1-CD1 4.41Å; F233-L280 HydrophobicContact CD2-CD1 4.28Å; F233-L280 HydrophobicContact CG-CD1 3.88Å; I276-L280 HydrophobicContact CG2-CD1 4.06Å; I276-L280 WeakPolarHBondContact O-CG 3.09Å; I276-L280 PolarHBondContact O-N 3.47Å; T277-L280 PolarHBondContact O-N 3.37Å; N278-L280 VanDerWaalsContact C-N 3.3Å; N278-L280 PolarHBondContact O-N 3.49Å; L280-S283 PolarHBondContact O-OG 3.22Å; L280-G284 PolarHBondContact O-N 3.29Å; L280-F285 HydrophobicContact CD2-CB 4.31Å; L280-F285 PolarHBondContact O-N 3.05Å; L280-E286 HydrophobicContact CB-CB 4.07Å; L280-E286 PolarHBondContact O-N 2.99Å; L280-L301 HydrophobicContact CD2-CD1 3.63Å; L280-F305 HydrophobicContact CD2-CE2 3.83Å; L280-F305 HydrophobicContact CD2-CZ 3.85Å; L280-F305 HydrophobicContact CG-CZ 4.12Å
281	R	98.3	Very high	97.9	Very high	131 Å²	131	59.3 Å²	59.3	49%	0.494	28%	0.284	S	S	.	.	H	α-helix	trans	-68.4	-51.7	177	-174.1	-176.3	-62.1	148.2	4.2	110.8	T277 N278 I279 S283 G284	T277-R281 WeakPolarHBondContact O-CB 3.43Å; T277-R281 PolarHBondContact O-N 3.29Å; N278-R281 PolarHBondContact O-N 2.83Å; N278-R281 VanDerWaalsContact O-N 3.14Å; I279-R281 VanDerWaalsContact C-N 3.35Å; R281-S283 VanDerWaalsContact C-N 3.31Å; R281-S283 PolarHBondContact O-N 3.3Å; R281-G284 PolarHBondContact O-N 2.95Å
282	D	98.3	Very high	97.8	Very high	135 Å²	135	61.7 Å²	61.7	72%	0.722	31%	0.305	S	S	*	.	H	α-helix	trans	-68.6	-32.2	-174.7	-61.4	-15.6	0	0	0	111.8	N278 G284	N278-D282 WeakPolarHBondContact O-CB 3.42Å; N278-D282 PolarHBondContact O-N 3.45Å; D282-G284 VanDerWaalsContact C-N 3.29Å
283	S	98	Very high	97.8	Very high	38 Å²	38	61.9 Å²	61.9	27%	0.266	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.6	173	63	0	0	0	0	114.2	I279 L280 R281 F285	I279-S283 WeakPolarHBondContact O-CB 3.26Å; I279-S283 PolarHBondContact O-N 2.66Å; I279-S283 PolarHBondContact O-OG 3.05Å; L280-S283 PolarHBondContact O-OG 3.22Å; R281-S283 VanDerWaalsContact C-N 3.31Å; R281-S283 PolarHBondContact O-N 3.3Å; S283-F285 VanDerWaalsContact C-N 3.29Å; S283-F285 WeakPolarHBondContact O-CD2 3.42Å; S283-F285 PolarHBondContact O-N 2.98Å; S283-F285 WeakPolarHBondContact OG-CD2 3.43Å
284	G	98.1	Very high	97.7	Very high	44 Å²	44	62.8 Å²	62.8	45%	0.454	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	12.1	178.8	0	0	0	0	0	115.3	L280 R281 D282 K288	L280-G284 PolarHBondContact O-N 3.29Å; R281-G284 PolarHBondContact O-N 2.95Å; D282-G284 VanDerWaalsContact C-N 3.29Å; G284-K288 WeakPolarHBondContact O-CG 3.47Å
285	F	98.4	Very high	97.6	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.044	30%	0.295	C	S	.	.			trans	-94.7	-16	-177.8	-74.3	-70.9	0	0	0	114.4	I229 L280 S283 K287 K288 L293 D297 R300 L301	I229-F285 HydrophobicContact CD1-CB 4.33Å; I229-F285 HydrophobicContact CD1-CD1 4.3Å; L280-F285 HydrophobicContact CD2-CB 4.31Å; L280-F285 PolarHBondContact O-N 3.05Å; S283-F285 VanDerWaalsContact C-N 3.29Å; S283-F285 WeakPolarHBondContact O-CD2 3.42Å; S283-F285 PolarHBondContact O-N 2.98Å; S283-F285 WeakPolarHBondContact OG-CD2 3.43Å; F285-K287 VanDerWaalsContact C-N 3.26Å; F285-K287 PolarHBondContact O-N 2.85Å; F285-K287 VanDerWaalsContact O-N 3.12Å; F285-K288 HydrophobicContact CD1-CB 4.3Å; F285-K288 HydrophobicContact CD1-CG 4.11Å; F285-K288 WeakPolarHBondContact O-CB 3.4Å; F285-K288 PolarHBondContact O-N 3.48Å; F285-L293 HydrophobicContact CD1-CD1 3.86Å; F285-L293 HydrophobicContact CD1-CD2 4.38Å; F285-L293 HydrophobicContact CE1-CD1 3.92Å; F285-L293 HydrophobicContact CE1-CD2 4.13Å; F285-D297 HydrophobicContact CE1-CB 4Å; F285-D297 HydrophobicContact CZ-CB 4.33Å; F285-D297 WeakPolarHBondContact CZ-O 3.39Å; F285-R300 HydrophobicContact CE2-CB 4.08Å; F285-R300 HydrophobicContact CZ-CB 4.03Å; F285-L301 HydrophobicContact CB-CD1 3.86Å; F285-L301 HydrophobicContact CD2-CB 3.95Å; F285-L301 HydrophobicContact CD2-CD1 3.73Å; F285-L301 HydrophobicContact CD2-CG 4.4Å; F285-L301 HydrophobicContact CE2-CB 3.9Å; F285-L301 HydrophobicContact CE2-CD1 4.5Å; F285-L301 HydrophobicContact CG-CB 4.29Å; F285-L301 HydrophobicContact CG-CD1 3.87Å; F285-L301 HydrophobicContact CG-CG 4.48Å; F285-L301 HydrophobicContact CZ-CB 4.19Å
286	E	98.2	Very high	97.5	Very high	51 Å²	51	62.9 Å²	62.9	24%	0.238	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-47.2	-176.6	-176.8	-171.9	-141.4	0	0	112.8	T228 G230 L280	T228-E286 WeakPolarHBondContact CB-O 3.42Å; G230-E286 PolarHBondContact N-O 3.23Å; L280-E286 HydrophobicContact CB-CB 4.07Å; L280-E286 PolarHBondContact O-N 2.99Å
287	K	98	Very high	97.5	Very high	172 Å²	172	64 Å²	64	75%	0.748	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-6	-177	-60.7	-176.7	-177.4	176.3	0	114	F285	F285-K287 VanDerWaalsContact C-N 3.26Å; F285-K287 PolarHBondContact O-N 2.85Å; F285-K287 VanDerWaalsContact O-N 3.12Å
288	K	97.9	Very high	97.5	Very high	112 Å²	112	61.6 Å²	61.6	49%	0.487	31%	0.307	S	S	.	.			trans	-74.6	162	178.8	-61.1	-71.4	-174.6	171.5	0	110.7	T228 I229 G284 F285 L293	T228-K288 CarbonylContact C-O 3.59Å; T228-K288 VanDerWaalsContact CA-O 3.23Å; T228-K288 WeakPolarHBondContact CA-O 3.49Å; I229-K288 HydrophobicContact CD1-CB 4.18Å; I229-K288 PolarHBondContact N-O 3.17Å; G284-K288 WeakPolarHBondContact O-CG 3.47Å; F285-K288 HydrophobicContact CD1-CB 4.3Å; F285-K288 HydrophobicContact CD1-CG 4.11Å; F285-K288 WeakPolarHBondContact O-CB 3.4Å; F285-K288 PolarHBondContact O-N 3.48Å; K288-L293 HydrophobicContact CB-CD2 4.06Å; K288-L293 HydrophobicContact CD-CD2 4.5Å; K288-L293 HydrophobicContact CG-CD2 4.39Å
289	R	97.7	Very high	97.4	Very high	129 Å²	129	61 Å²	61	49%	0.487	30%	0.303	S	S	.	.			trans	-125.8	137	179.5	-59.4	-177.4	-179.2	-177.8	1.2	109.1	R291 A292	R289-R291 HydrophobicContact CB-CG 4.32Å; R289-R291 PolarHBondContact O-N 2.83Å; R289-A292 PolarHBondContact O-N 2.93Å
290	A	97	Very high	97.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-54.8	-30.2	-175.3	0	0	0	0	0	114.1	V221 F222 A292 L293 F298	V221-A290 HydrophobicContact CB-CB 4.23Å; V221-A290 HydrophobicContact CG2-CB 4.3Å; V221-A290 VanDerWaalsContact O-CB 3.3Å; V221-A290 WeakPolarHBondContact O-CB 3.25Å; F222-A290 HydrophobicContact CD1-CB 3.78Å; F222-A290 HydrophobicContact CD2-CB 4.29Å; F222-A290 HydrophobicContact CE1-CB 3.7Å; F222-A290 HydrophobicContact CE2-CB 4.21Å; F222-A290 HydrophobicContact CG-CB 4.08Å; F222-A290 HydrophobicContact CZ-CB 3.93Å; A290-A292 PolarHBondContact O-N 3.02Å; A290-L293 PolarHBondContact O-N 2.99Å; A290-F298 HydrophobicContact CB-CZ 4.47Å
291	R	95.1	Very high	97.4	Very high	98 Å²	98	66.7 Å²	66.7	37%	0.37	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64.7	-17.3	178.6	68.4	167.2	-71.2	-178.6	-4.2	115.2	G159 R289	G159-R291 WeakPolarHBondContact CA-O 3.5Å; G159-R291 PolarHBondContact N-O 3.48Å; G159-R291 PolarHBondContact O-NH2 2.75Å; R289-R291 HydrophobicContact CB-CG 4.32Å; R289-R291 PolarHBondContact O-N 2.83Å
292	A	95.4	Very high	97.3	Very high	60 Å²	60	60.7 Å²	60.7	50%	0.496	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-111.9	3.2	-176.1	0	0	0	0	0	112.4	S158 R289 A290	S158-A292 PolarHBondContact OG-O 3.38Å; R289-A292 PolarHBondContact O-N 2.93Å; A290-A292 PolarHBondContact O-N 3.02Å
293	L	97.3	Very high	97.3	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	29%	0.29	C	S	.	.			trans	-97.6	138.2	178.7	-62.7	-165.7	0	0	0	110.5	S158 Y163 I229 F285 K288 A290 D297 F298	S158-L293 WeakPolarHBondContact CB-O 3.38Å; S158-L293 VanDerWaalsContact OG-C 3.24Å; S158-L293 PolarHBondContact OG-N 3.24Å; S158-L293 PolarHBondContact OG-O 2.76Å; S158-L293 VanDerWaalsContact OG-O 3.13Å; Y163-L293 WeakPolarHBondContact CE1-O 3.38Å; Y163-L293 PolarHBondContact OH-O 2.88Å; I229-L293 HydrophobicContact CD1-CD1 3.39Å; I229-L293 HydrophobicContact CD1-CG 4.49Å; F285-L293 HydrophobicContact CD1-CD1 3.86Å; F285-L293 HydrophobicContact CD1-CD2 4.38Å; F285-L293 HydrophobicContact CE1-CD1 3.92Å; F285-L293 HydrophobicContact CE1-CD2 4.13Å; K288-L293 HydrophobicContact CB-CD2 4.06Å; K288-L293 HydrophobicContact CD-CD2 4.5Å; K288-L293 HydrophobicContact CG-CD2 4.39Å; A290-L293 PolarHBondContact O-N 2.99Å; L293-D297 WeakPolarHBondContact CA-OD2 3.41Å; L293-D297 HydrophobicContact CB-CB 3.75Å; L293-D297 HydrophobicContact CD1-CB 4.22Å; L293-D297 HydrophobicContact CD2-CB 3.88Å; L293-D297 HydrophobicContact CG-CB 4.14Å; L293-F298 HydrophobicContact CB-CD1 4.37Å; L293-F298 HydrophobicContact CB-CE1 3.83Å; L293-F298 HydrophobicContact CB-CE2 4.04Å; L293-F298 HydrophobicContact CB-CZ 3.63Å; L293-F298 HydrophobicContact CD1-CD1 4.17Å; L293-F298 HydrophobicContact CD1-CE1 3.84Å; L293-F298 HydrophobicContact CD1-CZ 4.47Å; L293-F298 HydrophobicContact CG-CE1 4.41Å
294	D	96.6	Very high	97.3	Very high	68 Å²	68	57.8 Å²	57.8	36%	0.364	29%	0.285	S	S	.	.			trans	-95.7	-172.3	170.9	65	24.8	0	0	0	112.4	D296 D297 F298	D294-D296 PolarHBondContact OD1-N 3.41Å; D294-D297 PolarHBondContact N-OD2 3.24Å; D294-D297 VanDerWaalsContact N-OD2 3.12Å; D294-D297 PolarHBondContact O-N 3.06Å; D294-D297 PolarHBondContact OD1-N 3.01Å; D294-F298 WeakPolarHBondContact O-CD2 3.43Å; D294-F298 PolarHBondContact O-N 2.72Å; D294-F298 VanDerWaalsContact O-N 3.15Å
295	E	95.6	Very high	97.3	Very high	48 Å²	48	55.7 Å²	55.7	22%	0.224	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-44.5	178.7	176.4	168.2	111.5	0	0	112.8	F172 R203 W214 D297 F298 L299	F172-E295 HydrophobicContact CD2-CG 4.04Å; F172-E295 HydrophobicContact CE2-CG 4.38Å; R203-E295 IonicContact CZ-OE1 2.94Å; R203-E295 VanDerWaalsContact CZ-OE1 3.31Å; R203-E295 IonicContact CZ-OE2 3.53Å; R203-E295 IonicContact NH1-OE1 3.65Å; R203-E295 PolarHBondContact NH1-OE1 3.02Å; R203-E295 IonicContact NH1-OE2 3.74Å; R203-E295 PolarHBondContact NH1-OE2 2.7Å; R203-E295 IonicContact NH2-OE1 3.56Å; R203-E295 PolarHBondContact NH2-OE1 3.09Å; W214-E295 HydrophobicContact CH2-CG 4.46Å; E295-D297 VanDerWaalsContact C-N 3.33Å; E295-D297 PolarHBondContact O-N 3.06Å; E295-F298 PolarHBondContact O-N 3.32Å; E295-L299 HydrophobicContact CG-CD1 4.05Å; E295-L299 WeakPolarHBondContact O-CG 2.97Å; E295-L299 PolarHBondContact O-N 3.29Å
296	D	96	Very high	97.2	Very high	95 Å²	95	59 Å²	59	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-35.1	-177	-70	-21	0	0	0	111.3	D294 L299 R300	D294-D296 PolarHBondContact OD1-N 3.41Å; D296-L299 PolarHBondContact O-N 3.08Å; D296-R300 WeakPolarHBondContact O-CB 3.41Å; D296-R300 WeakPolarHBondContact O-CG 3.44Å; D296-R300 PolarHBondContact O-N 3.45Å; D296-R300 PolarHBondContact O-NE 2.92Å
297	D	97.9	Very high	97.2	Very high	27 Å²	27	63.8 Å²	63.8	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-47.6	170.6	-73.6	-42.3	0	0	0	111.7	F285 L293 D294 E295 L299 R300 L301	F285-D297 HydrophobicContact CE1-CB 4Å; F285-D297 HydrophobicContact CZ-CB 4.33Å; F285-D297 WeakPolarHBondContact CZ-O 3.39Å; L293-D297 WeakPolarHBondContact CA-OD2 3.41Å; L293-D297 HydrophobicContact CB-CB 3.75Å; L293-D297 HydrophobicContact CD1-CB 4.22Å; L293-D297 HydrophobicContact CD2-CB 3.88Å; L293-D297 HydrophobicContact CG-CB 4.14Å; D294-D297 PolarHBondContact N-OD2 3.24Å; D294-D297 VanDerWaalsContact N-OD2 3.12Å; D294-D297 PolarHBondContact O-N 3.06Å; D294-D297 PolarHBondContact OD1-N 3.01Å; E295-D297 VanDerWaalsContact C-N 3.33Å; E295-D297 PolarHBondContact O-N 3.06Å; D297-L299 PolarHBondContact O-N 2.93Å; D297-R300 PolarHBondContact O-N 3.43Å; D297-R300 IonicContact OD1-CZ 3.87Å; D297-R300 VanDerWaalsContact OD1-CZ 3.31Å; D297-R300 IonicContact OD1-NH1 3.78Å; D297-R300 IonicContact OD1-NH2 3.53Å; D297-R300 PolarHBondContact OD1-NH2 3.48Å; D297-L301 WeakPolarHBondContact O-CB 3.35Å; D297-L301 PolarHBondContact O-N 3.02Å
298	F	97.6	Very high	97.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-35.9	178.5	-68.3	-53.8	0	0	0	112.5	Y163 A168 W214 L218 V221 F222 A290 L293 D294 E295 L301 L302	Y163-F298 HydrophobicContact CE1-CE2 4.48Å; Y163-F298 WeakPolarHBondContact OH-CE2 3.21Å; A168-F298 HydrophobicContact CB-CE2 4.14Å; W214-F298 HydrophobicContact CH2-CB 3.38Å; W214-F298 HydrophobicContact CH2-CD2 4.38Å; W214-F298 HydrophobicContact CH2-CG 4.28Å; W214-F298 HydrophobicContact CZ2-CB 4.21Å; W214-F298 HydrophobicContact CZ3-CB 3.73Å; L218-F298 HydrophobicContact CD2-CD1 4.1Å; L218-F298 HydrophobicContact CD2-CD2 4.13Å; L218-F298 HydrophobicContact CD2-CE1 4.22Å; L218-F298 HydrophobicContact CD2-CE2 4.27Å; L218-F298 HydrophobicContact CD2-CG 4.07Å; L218-F298 HydrophobicContact CD2-CZ 4.32Å; V221-F298 HydrophobicContact CB-CE1 4.3Å; V221-F298 HydrophobicContact CG2-CD1 4.26Å; V221-F298 HydrophobicContact CG2-CE1 3.68Å; V221-F298 HydrophobicContact CG2-CZ 4.43Å; F222-F298 HydrophobicContact CE2-CE1 4.26Å; F222-F298 HydrophobicContact CE2-CE2 4.11Å; F222-F298 AromaticContact CE2-CZ 3.56Å; F222-F298 HydrophobicContact CE2-CZ 3.56Å; F222-F298 HydrophobicContact CZ-CE2 4.34Å; F222-F298 AromaticContact CZ-CZ 3.8Å; F222-F298 HydrophobicContact CZ-CZ 3.8Å; A290-F298 HydrophobicContact CB-CZ 4.47Å; L293-F298 HydrophobicContact CB-CD1 4.37Å; L293-F298 HydrophobicContact CB-CE1 3.83Å; L293-F298 HydrophobicContact CB-CE2 4.04Å; L293-F298 HydrophobicContact CB-CZ 3.63Å; L293-F298 HydrophobicContact CD1-CD1 4.17Å; L293-F298 HydrophobicContact CD1-CE1 3.84Å; L293-F298 HydrophobicContact CD1-CZ 4.47Å; L293-F298 HydrophobicContact CG-CE1 4.41Å; D294-F298 WeakPolarHBondContact O-CD2 3.43Å; D294-F298 PolarHBondContact O-N 2.72Å; D294-F298 VanDerWaalsContact O-N 3.15Å; E295-F298 PolarHBondContact O-N 3.32Å; F298-L301 PolarHBondContact O-N 3.32Å; F298-L302 WeakPolarHBondContact O-CB 3.49Å; F298-L302 PolarHBondContact O-N 3.37Å
299	L	97.3	Very high	97	Very high	42 Å²	42	56 Å²	56	22%	0.22	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-42.2	173.5	-74.9	171.6	0	0	0	111.8	F172 V209 W214 E295 D296 D297 L302 L303	F172-L299 HydrophobicContact CE2-CD2 3.98Å; F172-L299 HydrophobicContact CE2-CG 4.41Å; F172-L299 HydrophobicContact CZ-CD2 4.22Å; V209-L299 HydrophobicContact CG2-CD2 3.77Å; W214-L299 HydrophobicContact CH2-CG 4.33Å; W214-L299 HydrophobicContact CZ3-CD2 3.87Å; W214-L299 HydrophobicContact CZ3-CG 4.04Å; E295-L299 HydrophobicContact CG-CD1 4.05Å; E295-L299 WeakPolarHBondContact O-CG 2.97Å; E295-L299 PolarHBondContact O-N 3.29Å; D296-L299 PolarHBondContact O-N 3.08Å; D297-L299 PolarHBondContact O-N 2.93Å; L299-L302 PolarHBondContact O-N 2.97Å; L299-L303 WeakPolarHBondContact O-CB 3.18Å; L299-L303 PolarHBondContact O-N 2.82Å
300	R	97.8	Very high	97	Very high	137 Å²	137	49.8 Å²	49.8	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-41.4	174.2	-79.6	-178.9	-81.2	144.2	-4.2	112.1	F285 D296 D297 L303 A304	F285-R300 HydrophobicContact CE2-CB 4.08Å; F285-R300 HydrophobicContact CZ-CB 4.03Å; D296-R300 WeakPolarHBondContact O-CB 3.41Å; D296-R300 WeakPolarHBondContact O-CG 3.44Å; D296-R300 PolarHBondContact O-N 3.45Å; D296-R300 PolarHBondContact O-NE 2.92Å; D297-R300 PolarHBondContact O-N 3.43Å; D297-R300 IonicContact OD1-CZ 3.87Å; D297-R300 VanDerWaalsContact OD1-CZ 3.31Å; D297-R300 IonicContact OD1-NH1 3.78Å; D297-R300 IonicContact OD1-NH2 3.53Å; D297-R300 PolarHBondContact OD1-NH2 3.48Å; R300-L303 PolarHBondContact O-N 3.46Å; R300-A304 PolarHBondContact O-N 3.12Å
301	L	98.3	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-47.2	175.1	178.8	58.2	0	0	0	111.5	L217 V221 I229 L280 F285 D297 F298 L303 A304 F305	L217-L301 HydrophobicContact CD1-CD2 4.05Å; L217-L301 HydrophobicContact CD1-CG 4.22Å; V221-L301 HydrophobicContact CG1-CD2 3.74Å; I229-L301 HydrophobicContact CD1-CD2 4.11Å; I229-L301 HydrophobicContact CG2-CD2 4.36Å; L280-L301 HydrophobicContact CD2-CD1 3.63Å; F285-L301 HydrophobicContact CB-CD1 3.86Å; F285-L301 HydrophobicContact CD2-CB 3.95Å; F285-L301 HydrophobicContact CD2-CD1 3.73Å; F285-L301 HydrophobicContact CD2-CG 4.4Å; F285-L301 HydrophobicContact CE2-CB 3.9Å; F285-L301 HydrophobicContact CE2-CD1 4.5Å; F285-L301 HydrophobicContact CG-CB 4.29Å; F285-L301 HydrophobicContact CG-CD1 3.87Å; F285-L301 HydrophobicContact CG-CG 4.48Å; F285-L301 HydrophobicContact CZ-CB 4.19Å; D297-L301 WeakPolarHBondContact O-CB 3.35Å; D297-L301 PolarHBondContact O-N 3.02Å; F298-L301 PolarHBondContact O-N 3.32Å; L301-L303 VanDerWaalsContact C-N 3.3Å; L301-L303 PolarHBondContact O-N 2.94Å; L301-A304 WeakPolarHBondContact O-CB 3.4Å; L301-A304 PolarHBondContact O-N 3.39Å; L301-F305 HydrophobicContact CD1-CD2 4.06Å; L301-F305 HydrophobicContact CD1-CE2 3.69Å; L301-F305 HydrophobicContact CG-CD2 4.38Å; L301-F305 HydrophobicContact CG-CE2 4.25Å; L301-F305 WeakPolarHBondContact O-CD2 3.38Å; L301-F305 PolarHBondContact O-N 3.26Å
302	L	97.9	Very high	97.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-43.3	176.5	-175.2	59.2	0	0	0	111.4	V209 W214 L217 F298 L299 A304 F305 K306 F312	V209-L302 HydrophobicContact CB-CD2 4.3Å; V209-L302 HydrophobicContact CG1-CD2 3.41Å; V209-L302 VanDerWaalsContact CG1-CD2 3.41Å; V209-L302 HydrophobicContact CG2-CD2 3.89Å; W214-L302 HydrophobicContact CE3-CD2 4.49Å; L217-L302 HydrophobicContact CD2-CB 3.77Å; L217-L302 HydrophobicContact CD2-CD1 4.22Å; L217-L302 HydrophobicContact CD2-CG 4.49Å; F298-L302 WeakPolarHBondContact O-CB 3.49Å; F298-L302 PolarHBondContact O-N 3.37Å; L299-L302 PolarHBondContact O-N 2.97Å; L302-A304 VanDerWaalsContact C-N 3.31Å; L302-A304 PolarHBondContact O-N 3.11Å; L302-F305 PolarHBondContact O-N 3.29Å; L302-K306 HydrophobicContact CG-CD 4.44Å; L302-K306 WeakPolarHBondContact O-CG 3.5Å; L302-K306 PolarHBondContact O-N 2.87Å; L302-F312 HydrophobicContact CD1-CD2 3.55Å; L302-F312 HydrophobicContact CD1-CE2 3.84Å
303	L	97.7	Very high	96.5	Very high	94 Å²	94	48.3 Å²	48.3	49%	0.492	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-39	177.5	-179	61.6	0	0	0	111.9	L299 R300 L301 F305 K306 K307	L299-L303 WeakPolarHBondContact O-CB 3.18Å; L299-L303 PolarHBondContact O-N 2.82Å; R300-L303 PolarHBondContact O-N 3.46Å; L301-L303 VanDerWaalsContact C-N 3.3Å; L301-L303 PolarHBondContact O-N 2.94Å; L303-F305 PolarHBondContact O-N 3.37Å; L303-K306 PolarHBondContact O-N 2.82Å; L303-K307 HydrophobicContact CD1-CG 4.44Å; L303-K307 WeakPolarHBondContact O-CG 3.37Å; L303-K307 PolarHBondContact O-N 2.96Å
304	A	98.4	Very high	96.5	Very high	18 Å²	18	50.6 Å²	50.6	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-44.5	176.2	0	0	0	0	0	111.9	I279 R300 L301 L302	I279-A304 HydrophobicContact CG2-CB 4.05Å; R300-A304 PolarHBondContact O-N 3.12Å; L301-A304 WeakPolarHBondContact O-CB 3.4Å; L301-A304 PolarHBondContact O-N 3.39Å; L302-A304 VanDerWaalsContact C-N 3.31Å; L302-A304 PolarHBondContact O-N 3.11Å
305	F	98.3	Very high	96.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-41.2	173.8	-80	-76.5	0	0	0	112.7	F233 I276 I279 L280 L301 L302 L303 K307 E308 N309 I310 F312	F233-F305 HydrophobicContact CD1-CE1 4.38Å; F233-F305 HydrophobicContact CD1-CE2 4.47Å; F233-F305 AromaticContact CD1-CZ 3.72Å; F233-F305 HydrophobicContact CD1-CZ 3.72Å; F233-F305 HydrophobicContact CE1-CE1 4.07Å; F233-F305 AromaticContact CE1-CE2 3.73Å; F233-F305 HydrophobicContact CE1-CE2 3.73Å; F233-F305 AromaticContact CE1-CZ 3.33Å; F233-F305 HydrophobicContact CE1-CZ 3.33Å; F233-F305 AromaticContact CZ-CE2 3.98Å; F233-F305 HydrophobicContact CZ-CE2 3.98Å; F233-F305 HydrophobicContact CZ-CZ 4.04Å; I276-F305 HydrophobicContact CG1-CE1 4.37Å; I276-F305 HydrophobicContact CG2-CE1 4.21Å; I276-F305 HydrophobicContact CG2-CZ 4.25Å; I279-F305 HydrophobicContact CB-CE1 4.48Å; I279-F305 HydrophobicContact CD1-CD1 3.99Å; I279-F305 HydrophobicContact CD1-CE1 4.18Å; I279-F305 HydrophobicContact CG2-CD1 4.08Å; I279-F305 HydrophobicContact CG2-CD2 4.32Å; I279-F305 HydrophobicContact CG2-CE1 4.08Å; I279-F305 HydrophobicContact CG2-CE2 4.33Å; I279-F305 HydrophobicContact CG2-CG 4.2Å; I279-F305 HydrophobicContact CG2-CZ 4.2Å; L280-F305 HydrophobicContact CD2-CE2 3.83Å; L280-F305 HydrophobicContact CD2-CZ 3.85Å; L280-F305 HydrophobicContact CG-CZ 4.12Å; L301-F305 HydrophobicContact CD1-CD2 4.06Å; L301-F305 HydrophobicContact CD1-CE2 3.69Å; L301-F305 HydrophobicContact CG-CD2 4.38Å; L301-F305 HydrophobicContact CG-CE2 4.25Å; L301-F305 WeakPolarHBondContact O-CD2 3.38Å; L301-F305 PolarHBondContact O-N 3.26Å; L302-F305 PolarHBondContact O-N 3.29Å; L303-F305 PolarHBondContact O-N 3.37Å; F305-K307 PolarHBondContact O-N 3.07Å; F305-E308 CarbonylContact O-C 3.6Å; F305-E308 WeakPolarHBondContact O-CA 3.3Å; F305-E308 PolarHBondContact O-N 3.16Å; F305-N309 PolarHBondContact O-N 2.87Å; F305-I310 CarbonylContact C-O 3.38Å; F305-I310 HydrophobicContact CB-CB 4.18Å; F305-I310 HydrophobicContact CB-CG2 4.44Å; F305-I310 HydrophobicContact CD1-CB 3.93Å; F305-I310 HydrophobicContact CD1-CD1 3.98Å; F305-I310 HydrophobicContact CD1-CG2 3.76Å; F305-I310 HydrophobicContact CE1-CD1 4.46Å; F305-I310 HydrophobicContact CG-CG2 4.48Å; F305-I310 PolarHBondContact O-N 2.89Å; F305-F312 HydrophobicContact CB-CE2 3.75Å; F305-F312 HydrophobicContact CB-CZ 4.12Å; F305-F312 HydrophobicContact CD1-CE2 4.45Å; F305-F312 AromaticContact CD1-CZ 3.98Å; F305-F312 HydrophobicContact CD1-CZ 3.98Å; F305-F312 AromaticContact CD2-CE2 3.82Å; F305-F312 HydrophobicContact CD2-CE2 3.82Å; F305-F312 AromaticContact CD2-CZ 3.57Å; F305-F312 HydrophobicContact CD2-CZ 3.57Å; F305-F312 HydrophobicContact CE1-CZ 4.28Å; F305-F312 AromaticContact CE2-CZ 3.9Å; F305-F312 HydrophobicContact CE2-CZ 3.9Å; F305-F312 AromaticContact CG-CE2 3.76Å; F305-F312 HydrophobicContact CG-CE2 3.76Å; F305-F312 AromaticContact CG-CZ 3.62Å; F305-F312 HydrophobicContact CG-CZ 3.62Å; F305-F312 HydrophobicContact CZ-CZ 4.25Å
306	K	96.2	Very high	96.5	Very high	80 Å²	80	49.7 Å²	49.7	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-35.5	179.8	-79.4	-164.8	169.4	-165.1	0	113.8	E213 L302 L303 E308 N309	E213-K306 WeakPolarHBondContact OE2-CE 3.4Å; E213-K306 IonicContact OE2-NZ 2.67Å; E213-K306 PolarHBondContact OE2-NZ 3.05Å; L302-K306 HydrophobicContact CG-CD 4.44Å; L302-K306 WeakPolarHBondContact O-CG 3.5Å; L302-K306 PolarHBondContact O-N 2.87Å; L303-K306 PolarHBondContact O-N 2.82Å; K306-E308 PolarHBondContact O-N 3.45Å; K306-N309 PolarHBondContact O-N 3.22Å
307	K	96.7	Very high	96.5	Very high	152 Å²	152	47.1 Å²	47.1	66%	0.661	25%	0.246	S	C	*	.	H	α-helix	trans	-58.2	-32.6	172.2	-77.4	178	176.7	-174.7	0	111.7	L303 F305 N309	L303-K307 HydrophobicContact CD1-CG 4.44Å; L303-K307 WeakPolarHBondContact O-CG 3.37Å; L303-K307 PolarHBondContact O-N 2.96Å; F305-K307 PolarHBondContact O-N 3.07Å; K307-N309 VanDerWaalsContact C-N 3.32Å
308	E	97.2	Very high	96.4	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	15.3	176.2	-65.1	-57.6	138.7	0	0	113.7	Y246 K275 I279 F305 K306 I310	Y246-E308 VanDerWaalsContact CE2-O 3.26Å; Y246-E308 WeakPolarHBondContact CE2-O 3.29Å; K275-E308 IonicContact NZ-OE2 2.66Å; K275-E308 PolarHBondContact NZ-OE2 3.48Å; I279-E308 HydrophobicContact CD1-CB 3.63Å; I279-E308 HydrophobicContact CD1-CG 3.64Å; I279-E308 HydrophobicContact CG1-CB 4.28Å; I279-E308 HydrophobicContact CG1-CG 3.71Å; F305-E308 CarbonylContact O-C 3.6Å; F305-E308 WeakPolarHBondContact O-CA 3.3Å; F305-E308 PolarHBondContact O-N 3.16Å; K306-E308 PolarHBondContact O-N 3.45Å; E308-I310 HydrophobicContact CB-CD1 4.46Å; E308-I310 PolarHBondContact O-N 3.34Å
309	N	96.2	Very high	96.4	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.214	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	22.7	-178.3	-64	-68.8	0	0	0	115.2	Y246 T249 K253 F305 K306 K307	Y246-N309 HydrophobicContact CD2-CB 4.42Å; Y246-N309 WeakPolarHBondContact CD2-O 3.43Å; Y246-N309 HydrophobicContact CE2-CB 4Å; T249-N309 HydrophobicContact CG2-CB 4.35Å; K253-N309 PolarHBondContact NZ-OD1 2.98Å; F305-N309 PolarHBondContact O-N 2.87Å; K306-N309 PolarHBondContact O-N 3.22Å; K307-N309 VanDerWaalsContact C-N 3.32Å
310	I	97.4	Very high	96.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.			trans	-95.5	120.3	175.3	-60.9	169.6	0	0	0	109.2	L242 Y246 M272 K275 I279 F305 E308	L242-I310 HydrophobicContact CD2-CG2 4.45Å; Y246-I310 HydrophobicContact CD2-CG1 3.73Å; Y246-I310 HydrophobicContact CE2-CG1 4.34Å; Y246-I310 HydrophobicContact CG-CG1 4.42Å; M272-I310 HydrophobicContact CE-CD1 3.44Å; M272-I310 VanDerWaalsContact CE-CD1 3.44Å; M272-I310 HydrophobicContact CE-CG1 3.83Å; M272-I310 HydrophobicContact CE-CG2 4.29Å; M272-I310 HydrophobicContact SD-CD1 4.45Å; K275-I310 HydrophobicContact CD-CD1 4.19Å; K275-I310 HydrophobicContact CG-CD1 4.44Å; I279-I310 HydrophobicContact CD1-CD1 3.51Å; F305-I310 CarbonylContact C-O 3.38Å; F305-I310 HydrophobicContact CB-CB 4.18Å; F305-I310 HydrophobicContact CB-CG2 4.44Å; F305-I310 HydrophobicContact CD1-CB 3.93Å; F305-I310 HydrophobicContact CD1-CD1 3.98Å; F305-I310 HydrophobicContact CD1-CG2 3.76Å; F305-I310 HydrophobicContact CE1-CD1 4.46Å; F305-I310 HydrophobicContact CG-CG2 4.48Å; F305-I310 PolarHBondContact O-N 2.89Å; E308-I310 HydrophobicContact CB-CD1 4.46Å; E308-I310 PolarHBondContact O-N 3.34Å
311	N	96.4	Very high	96.2	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	25%	0.254	C	S	.	.			trans	-107.2	169.7	177.3	-64.1	-44.1	0	0	0	110.5	E213 I245 T249	E213-N311 WeakPolarHBondContact OE1-CB 3.37Å; I245-N311 HydrophobicContact CG2-CB 3.97Å; T249-N311 WeakPolarHBondContact CG2-ND2 3.31Å; T249-N311 PolarHBondContact OG1-ND2 3.28Å
312	F	96.1	Very high	96	Very high	14 Å²	14	49.5 Å²	49.5	6%	0.061	28%	0.276	C	S	.	.			trans	-128.5	-13	-175.9	-69.2	-78.4	0	0	0	115	E213 L217 L220 F233 L242 L302 F305	E213-F312 PolarHBondContact OE1-N 2.87Å; L217-F312 HydrophobicContact CB-CD2 3.99Å; L217-F312 HydrophobicContact CB-CE2 4.28Å; L217-F312 HydrophobicContact CB-CG 4.1Å; L217-F312 HydrophobicContact CD1-CD2 4.37Å; L217-F312 HydrophobicContact CD1-CE1 4.18Å; L217-F312 HydrophobicContact CD1-CE2 3.8Å; L217-F312 HydrophobicContact CD1-CZ 3.7Å; L220-F312 HydrophobicContact CD1-CD1 3.75Å; L220-F312 HydrophobicContact CD1-CE1 3.55Å; F233-F312 AromaticContact CE1-CE1 3.75Å; F233-F312 HydrophobicContact CE1-CE1 3.75Å; F233-F312 AromaticContact CE1-CZ 3.89Å; F233-F312 HydrophobicContact CE1-CZ 3.89Å; F233-F312 HydrophobicContact CZ-CE1 4.04Å; F233-F312 HydrophobicContact CZ-CZ 4.13Å; L242-F312 HydrophobicContact CD1-CE1 4.33Å; L242-F312 HydrophobicContact CD2-CD1 3.84Å; L242-F312 HydrophobicContact CD2-CE1 3.84Å; L302-F312 HydrophobicContact CD1-CD2 3.55Å; L302-F312 HydrophobicContact CD1-CE2 3.84Å; F305-F312 HydrophobicContact CB-CE2 3.75Å; F305-F312 HydrophobicContact CB-CZ 4.12Å; F305-F312 HydrophobicContact CD1-CE2 4.45Å; F305-F312 AromaticContact CD1-CZ 3.98Å; F305-F312 HydrophobicContact CD1-CZ 3.98Å; F305-F312 AromaticContact CD2-CE2 3.82Å; F305-F312 HydrophobicContact CD2-CE2 3.82Å; F305-F312 AromaticContact CD2-CZ 3.57Å; F305-F312 HydrophobicContact CD2-CZ 3.57Å; F305-F312 HydrophobicContact CE1-CZ 4.28Å; F305-F312 AromaticContact CE2-CZ 3.9Å; F305-F312 HydrophobicContact CE2-CZ 3.9Å; F305-F312 AromaticContact CG-CE2 3.76Å; F305-F312 HydrophobicContact CG-CE2 3.76Å; F305-F312 AromaticContact CG-CZ 3.62Å; F305-F312 HydrophobicContact CG-CZ 3.62Å; F305-F312 HydrophobicContact CZ-CZ 4.25Å
313	G	83.8	Confident	95.8	Very high	78 Å²	78	53.6 Å²	53.6	80%	0.804	30%	0.299	S	S	*	.			trans	-103	0	-175.3	0	0	0	0	0	114.7	E213	E213-G313 WeakPolarHBondContact OE1-CA 3.49Å; E213-G313 PolarHBondContact OE1-N 2.91Å

Retrieved 313 of 313 residues in 122.5 ms (Link to these results)

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